# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b9e9dbb8-4844-4806-bedc-aef1bacd5650/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 Ba3Lu2Zn5O11 / F-43m (216) / materials id 554066](https://mdr.nims.go.jp/datasets/00621774-5a45-4f25-9f61-2d0fe87de873) ## 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: "F-43m" number: 216 Hall_symbol: "F -4 2 3"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 6.701467940000000, 6.701467940000000 ] # a - [ 6.701467940000000, 0.000000000000000, 6.701467940000000 ] # b - [ 6.701467940000000, 6.701467940000000, 0.000000000000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.956074130000000, 0.956074130000000, 0.543925870000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.543925870000000, 0.956074130000000, 0.543925870000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.956074130000000, 0.543925870000000, 0.956074130000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.543925870000000, 0.543925870000000, 0.956074130000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.543925870000000, 0.956074130000000, 0.956074130000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.956074130000000, 0.543925870000000, 0.543925870000000 ] mass: 137.327000 - symbol: Lu # 7 coordinates: [ 0.085711800000000, 0.085711800000000, 0.085711800000000 ] mass: 174.966800 - symbol: Lu # 8 coordinates: [ 0.085711800000000, 0.085711800000000, 0.742864600000000 ] mass: 174.966800 - symbol: Lu # 9 coordinates: [ 0.742864600000000, 0.085711800000000, 0.085711800000000 ] mass: 174.966800 - symbol: Lu # 10 coordinates: [ 0.085711800000000, 0.742864600000000, 0.085711800000000 ] mass: 174.966800 - symbol: Zn # 11 coordinates: [ 0.332857870000000, 0.667142130000000, 0.332857870000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.333715100000000, 0.333715100000000, 0.333715100000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.332857870000000, 0.332857870000000, 0.667142130000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.333715100000000, 0.998854700000000, 0.333715100000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.332857870000000, 0.667142130000000, 0.667142130000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.998854700000000, 0.333715100000000, 0.333715100000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.667142130000000, 0.667142130000000, 0.332857870000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.333715100000000, 0.333715100000000, 0.998854700000000 ] mass: 65.380000 - symbol: Zn # 19 coordinates: [ 0.667142130000000, 0.332857870000000, 0.667142130000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.667142130000000, 0.332857870000000, 0.332857870000000 ] mass: 65.380000 - symbol: O # 21 coordinates: [ 0.920107490000000, 0.248098650000000, 0.248098650000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.248098650000000, 0.920107490000000, 0.248098650000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.920175810000000, 0.920175810000000, 0.920175810000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.592282480000000, 0.592282480000000, 0.592282480000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.248098650000000, 0.583695210000000, 0.248098650000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.248098650000000, 0.248098650000000, 0.920107490000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.592282480000000, 0.223152560000000, 0.592282480000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.920107490000000, 0.583695210000000, 0.248098650000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.920107490000000, 0.248098650000000, 0.583695210000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.583695210000000, 0.248098650000000, 0.920107490000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.592282480000000, 0.592282480000000, 0.223152560000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.239472570000000, 0.920175810000000, 0.920175810000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.583695210000000, 0.920107490000000, 0.248098650000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.920175810000000, 0.239472570000000, 0.920175810000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.920175810000000, 0.920175810000000, 0.239472570000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.248098650000000, 0.248098650000000, 0.583695210000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.248098650000000, 0.920107490000000, 0.583695210000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.223152560000000, 0.592282480000000, 0.592282480000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.248098650000000, 0.583695210000000, 0.920107490000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.583695210000000, 0.248098650000000, 0.248098650000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.074610518841041, 0.074610518841041, 0.074610518841041 ] # a* - [ 0.074610518841041, -0.074610518841041, 0.074610518841041 ] # b* - [ 0.074610518841041, 0.074610518841041, -0.074610518841041 ] # c*unit_cell: lattice: - [ 13.402935879999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.402935879999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.402935879999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.456074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.750000000000000, 0.043925870000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.750000000000000, 0.456074130000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.750000000000000, 0.250000000000000, 0.043925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.956074130000000, 0.250000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.543925870000000, 0.250000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.750000000000000, 0.750000000000000, 0.956074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.750000000000000, 0.543925870000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 9 coordinates: [ 0.750000000000000, 0.956074130000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.543925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 11 coordinates: [ 0.956074130000000, 0.750000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 12 coordinates: [ 0.543925870000000, 0.750000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 13 coordinates: [ 0.250000000000000, 0.250000000000000, 0.956074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 14 coordinates: [ 0.250000000000000, 0.043925870000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 15 coordinates: [ 0.250000000000000, 0.456074130000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 16 coordinates: [ 0.250000000000000, 0.250000000000000, 0.543925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 17 coordinates: [ 0.456074130000000, 0.250000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 18 coordinates: [ 0.043925870000000, 0.250000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.456074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 20 coordinates: [ 0.250000000000000, 0.543925870000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 21 coordinates: [ 0.250000000000000, 0.956074130000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 22 coordinates: [ 0.250000000000000, 0.750000000000000, 0.043925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 23 coordinates: [ 0.456074130000000, 0.750000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 24 coordinates: [ 0.043925870000000, 0.750000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Lu # 25 coordinates: [ 0.085711800000000, 0.085711800000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 26 coordinates: [ 0.914288200000000, 0.914288200000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 27 coordinates: [ 0.085711800000000, 0.914288200000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 28 coordinates: [ 0.914288200000000, 0.085711800000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 29 coordinates: [ 0.085711800000000, 0.585711800000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 30 coordinates: [ 0.914288200000000, 0.414288200000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 31 coordinates: [ 0.085711800000000, 0.414288200000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 32 coordinates: [ 0.914288200000000, 0.585711800000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 33 coordinates: [ 0.585711800000000, 0.085711800000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 34 coordinates: [ 0.414288200000000, 0.914288200000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 35 coordinates: [ 0.585711800000000, 0.914288200000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 36 coordinates: [ 0.414288200000000, 0.085711800000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 37 coordinates: [ 0.585711800000000, 0.585711800000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 38 coordinates: [ 0.414288200000000, 0.414288200000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 39 coordinates: [ 0.585711800000000, 0.414288200000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 40 coordinates: [ 0.414288200000000, 0.585711800000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Zn # 41 coordinates: [ 0.500000000000000, 0.332857870000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 42 coordinates: [ 0.333715100000000, 0.333715100000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 43 coordinates: [ 0.500000000000000, 0.500000000000000, 0.332857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 44 coordinates: [ 0.666284900000000, 0.333715100000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 45 coordinates: [ 0.667142130000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.333715100000000, 0.666284900000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.667142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 48 coordinates: [ 0.666284900000000, 0.666284900000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 49 coordinates: [ 0.500000000000000, 0.667142130000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.332857870000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 51 coordinates: [ 0.500000000000000, 0.832857870000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 52 coordinates: [ 0.333715100000000, 0.833715100000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 53 coordinates: [ 0.500000000000000, 0.000000000000000, 0.832857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 54 coordinates: [ 0.666284900000000, 0.833715100000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 55 coordinates: [ 0.667142130000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 56 coordinates: [ 0.333715100000000, 0.166284900000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 57 coordinates: [ 0.500000000000000, 0.000000000000000, 0.167142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 58 coordinates: [ 0.666284900000000, 0.166284900000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 59 coordinates: [ 0.500000000000000, 0.167142130000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 60 coordinates: [ 0.332857870000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 61 coordinates: [ 0.000000000000000, 0.332857870000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 62 coordinates: [ 0.833715100000000, 0.333715100000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.832857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 64 coordinates: [ 0.166284900000000, 0.333715100000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 65 coordinates: [ 0.167142130000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 66 coordinates: [ 0.833715100000000, 0.666284900000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.167142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 68 coordinates: [ 0.166284900000000, 0.666284900000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 69 coordinates: [ 0.000000000000000, 0.667142130000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 70 coordinates: [ 0.832857870000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 71 coordinates: [ 0.000000000000000, 0.832857870000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 72 coordinates: [ 0.833715100000000, 0.833715100000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.332857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 74 coordinates: [ 0.166284900000000, 0.833715100000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 75 coordinates: [ 0.167142130000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 76 coordinates: [ 0.833715100000000, 0.166284900000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.667142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 78 coordinates: [ 0.166284900000000, 0.166284900000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 79 coordinates: [ 0.000000000000000, 0.167142130000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 80 coordinates: [ 0.832857870000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.248098650000000, 0.084103070000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.084103070000000, 0.248098650000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.920175810000000, 0.920175810000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.592282480000000, 0.092282480000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.915896930000000, 0.248098650000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.084103070000000, 0.084103070000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.907717520000000, 0.092282480000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.915896930000000, 0.084103070000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.915896930000000, 0.751901350000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.084103070000000, 0.751901350000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.907717520000000, 0.407717520000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.920175810000000, 0.079824190000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.084103070000000, 0.915896930000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.079824190000000, 0.920175810000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.079824190000000, 0.079824190000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.915896930000000, 0.915896930000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.751901350000000, 0.915896930000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.592282480000000, 0.407717520000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.751901350000000, 0.084103070000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.248098650000000, 0.915896930000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.248098650000000, 0.584103070000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 104 coordinates: [ 0.084103070000000, 0.748098650000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 105 coordinates: [ 0.920175810000000, 0.420175810000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 106 coordinates: [ 0.592282480000000, 0.592282480000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 107 coordinates: [ 0.915896930000000, 0.748098650000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 108 coordinates: [ 0.084103070000000, 0.584103070000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 109 coordinates: [ 0.907717520000000, 0.592282480000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 110 coordinates: [ 0.915896930000000, 0.584103070000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 111 coordinates: [ 0.915896930000000, 0.251901350000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 112 coordinates: [ 0.084103070000000, 0.251901350000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 113 coordinates: [ 0.907717520000000, 0.907717520000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 114 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 115 coordinates: [ 0.920175810000000, 0.579824190000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 116 coordinates: [ 0.084103070000000, 0.415896930000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 117 coordinates: [ 0.079824190000000, 0.420175810000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 118 coordinates: [ 0.079824190000000, 0.579824190000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 119 coordinates: [ 0.915896930000000, 0.415896930000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 120 coordinates: [ 0.751901350000000, 0.415896930000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 121 coordinates: [ 0.592282480000000, 0.907717520000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 122 coordinates: [ 0.751901350000000, 0.584103070000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 123 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 124 coordinates: [ 0.248098650000000, 0.415896930000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 125 coordinates: [ 0.748098650000000, 0.084103070000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 126 coordinates: [ 0.584103070000000, 0.248098650000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 127 coordinates: [ 0.420175810000000, 0.920175810000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 128 coordinates: [ 0.092282480000000, 0.092282480000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 129 coordinates: [ 0.415896930000000, 0.248098650000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 130 coordinates: [ 0.584103070000000, 0.084103070000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 131 coordinates: [ 0.407717520000000, 0.092282480000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 132 coordinates: [ 0.415896930000000, 0.084103070000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 133 coordinates: [ 0.415896930000000, 0.751901350000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 134 coordinates: [ 0.584103070000000, 0.751901350000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 135 coordinates: [ 0.407717520000000, 0.407717520000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 136 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 137 coordinates: [ 0.420175810000000, 0.079824190000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 138 coordinates: [ 0.584103070000000, 0.915896930000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 139 coordinates: [ 0.579824190000000, 0.920175810000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 140 coordinates: [ 0.579824190000000, 0.079824190000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 141 coordinates: [ 0.415896930000000, 0.915896930000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 142 coordinates: [ 0.251901350000000, 0.915896930000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 143 coordinates: [ 0.092282480000000, 0.407717520000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 144 coordinates: [ 0.251901350000000, 0.084103070000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 145 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 146 coordinates: [ 0.748098650000000, 0.915896930000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 147 coordinates: [ 0.748098650000000, 0.584103070000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 148 coordinates: [ 0.584103070000000, 0.748098650000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 149 coordinates: [ 0.420175810000000, 0.420175810000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 150 coordinates: [ 0.092282480000000, 0.592282480000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 151 coordinates: [ 0.415896930000000, 0.748098650000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 152 coordinates: [ 0.584103070000000, 0.584103070000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 153 coordinates: [ 0.407717520000000, 0.592282480000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 154 coordinates: [ 0.415896930000000, 0.584103070000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 155 coordinates: [ 0.415896930000000, 0.251901350000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 156 coordinates: [ 0.584103070000000, 0.251901350000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 157 coordinates: [ 0.407717520000000, 0.907717520000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 158 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 159 coordinates: [ 0.420175810000000, 0.579824190000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 160 coordinates: [ 0.584103070000000, 0.415896930000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 161 coordinates: [ 0.579824190000000, 0.420175810000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 162 coordinates: [ 0.579824190000000, 0.579824190000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 163 coordinates: [ 0.415896930000000, 0.415896930000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 164 coordinates: [ 0.251901350000000, 0.415896930000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 165 coordinates: [ 0.092282480000000, 0.907717520000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 166 coordinates: [ 0.251901350000000, 0.584103070000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 167 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 168 coordinates: [ 0.748098650000000, 0.415896930000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 102supercell: lattice: - [ 13.402935879999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.402935879999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.402935879999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.456074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.750000000000000, 0.043925870000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.750000000000000, 0.456074130000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.750000000000000, 0.250000000000000, 0.043925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.956074130000000, 0.250000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.543925870000000, 0.250000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.750000000000000, 0.750000000000000, 0.956074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.750000000000000, 0.543925870000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 9 coordinates: [ 0.750000000000000, 0.956074130000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.543925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 11 coordinates: [ 0.956074130000000, 0.750000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 12 coordinates: [ 0.543925870000000, 0.750000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 13 coordinates: [ 0.250000000000000, 0.250000000000000, 0.956074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 14 coordinates: [ 0.250000000000000, 0.043925870000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 15 coordinates: [ 0.250000000000000, 0.456074130000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 16 coordinates: [ 0.250000000000000, 0.250000000000000, 0.543925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 17 coordinates: [ 0.456074130000000, 0.250000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 18 coordinates: [ 0.043925870000000, 0.250000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.456074130000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 20 coordinates: [ 0.250000000000000, 0.543925870000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 21 coordinates: [ 0.250000000000000, 0.956074130000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 22 coordinates: [ 0.250000000000000, 0.750000000000000, 0.043925870000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 23 coordinates: [ 0.456074130000000, 0.750000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 24 coordinates: [ 0.043925870000000, 0.750000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Lu # 25 coordinates: [ 0.085711800000000, 0.085711800000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 26 coordinates: [ 0.914288200000000, 0.914288200000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 27 coordinates: [ 0.085711800000000, 0.914288200000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 28 coordinates: [ 0.914288200000000, 0.085711800000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 29 coordinates: [ 0.085711800000000, 0.585711800000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 30 coordinates: [ 0.914288200000000, 0.414288200000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 31 coordinates: [ 0.085711800000000, 0.414288200000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 32 coordinates: [ 0.914288200000000, 0.585711800000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 33 coordinates: [ 0.585711800000000, 0.085711800000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 34 coordinates: [ 0.414288200000000, 0.914288200000000, 0.585711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 35 coordinates: [ 0.585711800000000, 0.914288200000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 36 coordinates: [ 0.414288200000000, 0.085711800000000, 0.414288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Lu # 37 coordinates: [ 0.585711800000000, 0.585711800000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 25 - symbol: Lu # 38 coordinates: [ 0.414288200000000, 0.414288200000000, 0.085711800000000 ] mass: 174.966800 reduced_to: 26 - symbol: Lu # 39 coordinates: [ 0.585711800000000, 0.414288200000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 27 - symbol: Lu # 40 coordinates: [ 0.414288200000000, 0.585711800000000, 0.914288200000000 ] mass: 174.966800 reduced_to: 28 - symbol: Zn # 41 coordinates: [ 0.500000000000000, 0.332857870000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 42 coordinates: [ 0.333715100000000, 0.333715100000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 43 coordinates: [ 0.500000000000000, 0.500000000000000, 0.332857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 44 coordinates: [ 0.666284900000000, 0.333715100000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 45 coordinates: [ 0.667142130000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.333715100000000, 0.666284900000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.667142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 48 coordinates: [ 0.666284900000000, 0.666284900000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 49 coordinates: [ 0.500000000000000, 0.667142130000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.332857870000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 51 coordinates: [ 0.500000000000000, 0.832857870000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 52 coordinates: [ 0.333715100000000, 0.833715100000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 53 coordinates: [ 0.500000000000000, 0.000000000000000, 0.832857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 54 coordinates: [ 0.666284900000000, 0.833715100000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 55 coordinates: [ 0.667142130000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 56 coordinates: [ 0.333715100000000, 0.166284900000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 57 coordinates: [ 0.500000000000000, 0.000000000000000, 0.167142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 58 coordinates: [ 0.666284900000000, 0.166284900000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 59 coordinates: [ 0.500000000000000, 0.167142130000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 60 coordinates: [ 0.332857870000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 61 coordinates: [ 0.000000000000000, 0.332857870000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 62 coordinates: [ 0.833715100000000, 0.333715100000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.832857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 64 coordinates: [ 0.166284900000000, 0.333715100000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 65 coordinates: [ 0.167142130000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 66 coordinates: [ 0.833715100000000, 0.666284900000000, 0.166284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.167142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 68 coordinates: [ 0.166284900000000, 0.666284900000000, 0.833715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 69 coordinates: [ 0.000000000000000, 0.667142130000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 70 coordinates: [ 0.832857870000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 71 coordinates: [ 0.000000000000000, 0.832857870000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 72 coordinates: [ 0.833715100000000, 0.833715100000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 42 - symbol: Zn # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.332857870000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 74 coordinates: [ 0.166284900000000, 0.833715100000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 75 coordinates: [ 0.167142130000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 76 coordinates: [ 0.833715100000000, 0.166284900000000, 0.666284900000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.667142130000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 78 coordinates: [ 0.166284900000000, 0.166284900000000, 0.333715100000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 79 coordinates: [ 0.000000000000000, 0.167142130000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 80 coordinates: [ 0.832857870000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.248098650000000, 0.084103070000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.084103070000000, 0.248098650000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.920175810000000, 0.920175810000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.592282480000000, 0.092282480000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.915896930000000, 0.248098650000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.084103070000000, 0.084103070000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.907717520000000, 0.092282480000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.915896930000000, 0.084103070000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.915896930000000, 0.751901350000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.084103070000000, 0.751901350000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.907717520000000, 0.407717520000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.920175810000000, 0.079824190000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.084103070000000, 0.915896930000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.079824190000000, 0.920175810000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.079824190000000, 0.079824190000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.915896930000000, 0.915896930000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.751901350000000, 0.915896930000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.592282480000000, 0.407717520000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.751901350000000, 0.084103070000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.248098650000000, 0.915896930000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.248098650000000, 0.584103070000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 104 coordinates: [ 0.084103070000000, 0.748098650000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 105 coordinates: [ 0.920175810000000, 0.420175810000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 106 coordinates: [ 0.592282480000000, 0.592282480000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 107 coordinates: [ 0.915896930000000, 0.748098650000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 108 coordinates: [ 0.084103070000000, 0.584103070000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 109 coordinates: [ 0.907717520000000, 0.592282480000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 110 coordinates: [ 0.915896930000000, 0.584103070000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 111 coordinates: [ 0.915896930000000, 0.251901350000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 112 coordinates: [ 0.084103070000000, 0.251901350000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 113 coordinates: [ 0.907717520000000, 0.907717520000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 114 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 115 coordinates: [ 0.920175810000000, 0.579824190000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 116 coordinates: [ 0.084103070000000, 0.415896930000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 117 coordinates: [ 0.079824190000000, 0.420175810000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 118 coordinates: [ 0.079824190000000, 0.579824190000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 119 coordinates: [ 0.915896930000000, 0.415896930000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 120 coordinates: [ 0.751901350000000, 0.415896930000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 121 coordinates: [ 0.592282480000000, 0.907717520000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 122 coordinates: [ 0.751901350000000, 0.584103070000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 123 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 124 coordinates: [ 0.248098650000000, 0.415896930000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 125 coordinates: [ 0.748098650000000, 0.084103070000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 126 coordinates: [ 0.584103070000000, 0.248098650000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 127 coordinates: [ 0.420175810000000, 0.920175810000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 128 coordinates: [ 0.092282480000000, 0.092282480000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 129 coordinates: [ 0.415896930000000, 0.248098650000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 130 coordinates: [ 0.584103070000000, 0.084103070000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 131 coordinates: [ 0.407717520000000, 0.092282480000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 132 coordinates: [ 0.415896930000000, 0.084103070000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 133 coordinates: [ 0.415896930000000, 0.751901350000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 134 coordinates: [ 0.584103070000000, 0.751901350000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 135 coordinates: [ 0.407717520000000, 0.407717520000000, 0.592282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 136 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 137 coordinates: [ 0.420175810000000, 0.079824190000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 138 coordinates: [ 0.584103070000000, 0.915896930000000, 0.251901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 139 coordinates: [ 0.579824190000000, 0.920175810000000, 0.579824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 140 coordinates: [ 0.579824190000000, 0.079824190000000, 0.420175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 141 coordinates: [ 0.415896930000000, 0.915896930000000, 0.748098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 142 coordinates: [ 0.251901350000000, 0.915896930000000, 0.584103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 143 coordinates: [ 0.092282480000000, 0.407717520000000, 0.907717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 144 coordinates: [ 0.251901350000000, 0.084103070000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 145 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 146 coordinates: [ 0.748098650000000, 0.915896930000000, 0.415896930000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 147 coordinates: [ 0.748098650000000, 0.584103070000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 148 coordinates: [ 0.584103070000000, 0.748098650000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 149 coordinates: [ 0.420175810000000, 0.420175810000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 150 coordinates: [ 0.092282480000000, 0.592282480000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 151 coordinates: [ 0.415896930000000, 0.748098650000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 152 coordinates: [ 0.584103070000000, 0.584103070000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 153 coordinates: [ 0.407717520000000, 0.592282480000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 154 coordinates: [ 0.415896930000000, 0.584103070000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 155 coordinates: [ 0.415896930000000, 0.251901350000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 156 coordinates: [ 0.584103070000000, 0.251901350000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 157 coordinates: [ 0.407717520000000, 0.907717520000000, 0.092282480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 158 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 159 coordinates: [ 0.420175810000000, 0.579824190000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 160 coordinates: [ 0.584103070000000, 0.415896930000000, 0.751901350000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 161 coordinates: [ 0.579824190000000, 0.420175810000000, 0.079824190000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 162 coordinates: [ 0.579824190000000, 0.579824190000000, 0.920175810000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 163 coordinates: [ 0.415896930000000, 0.415896930000000, 0.248098650000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 164 coordinates: [ 0.251901350000000, 0.415896930000000, 0.084103070000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 165 coordinates: [ 0.092282480000000, 0.907717520000000, 0.407717520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 166 coordinates: [ 0.251901350000000, 0.584103070000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 167 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 168 coordinates: [ 0.748098650000000, 0.415896930000000, 0.915896930000000 ] mass: 15.999400 reduced_to: 102displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0434372100000000, 0.0009353200000000, -0.0003462900000000 ] - [ -0.0037190800000000, 0.0001267300000000, -0.0002212500000000 ] - [ -0.0037425300000000, 0.0000475100000000, 0.0002477100000000 ] - [ -0.0008392300000000, 0.0000057900000000, 0.0000237700000000 ] - [ 0.0045930600000000, 0.0002335400000000, -0.0079868300000000 ] - [ 0.0046451300000000, 0.0002269800000000, 0.0079193200000000 ] - [ -0.0004608500000000, -0.0000119600000000, -0.0000195500000000 ] - [ -0.0011948000000000, -0.0002495400000000, -0.0002225500000000 ] - [ -0.0012043400000000, -0.0002757900000000, 0.0002147300000000 ] - [ -0.0012336900000000, -0.0003070800000000, 0.0000391600000000 ] - [ -0.0001367200000000, -0.0000951900000000, 0.0003404400000000 ] - [ -0.0000837000000000, -0.0000813300000000, -0.0003224000000000 ] - [ 0.0009070000000000, 0.0000026400000000, -0.0000141400000000 ] - [ 0.0011608000000000, 0.0000224100000000, 0.0001625800000000 ] - [ 0.0011603500000000, -0.0000221800000000, -0.0001481700000000 ] - [ 0.0029984500000000, 0.0003031700000000, 0.0000348900000000 ] - [ 0.0018546100000000, 0.0002304200000000, -0.0023351700000000 ] - [ 0.0018956300000000, 0.0002330900000000, 0.0023382400000000 ] - [ 0.0010609800000000, -0.0001808100000000, -0.0000201500000000 ] - [ 0.0011586200000000, -0.0000406100000000, 0.0000845000000000 ] - [ 0.0011529000000000, -0.0000950100000000, -0.0000842100000000 ] - [ 0.0004483400000000, -0.0000008200000000, 0.0000260700000000 ] - [ 0.0002895200000000, -0.0001623200000000, 0.0003420300000000 ] - [ 0.0003502100000000, -0.0001758800000000, -0.0003561800000000 ] - [ 0.0007036600000000, -0.0003402900000000, -0.0007380200000000 ] - [ -0.0004558300000000, -0.0002952200000000, -0.0005224600000000 ] - [ 0.0004731200000000, -0.0002767600000000, 0.0001544100000000 ] - [ -0.0006047000000000, -0.0001233400000000, 0.0007337400000000 ] - [ 0.0013453200000000, 0.0009710600000000, 0.0006210500000000 ] - [ 0.0036552500000000, 0.0134647500000000, 0.0098654700000000 ] - [ 0.0054167600000000, 0.0018436800000000, -0.0007165400000000 ] - [ -0.0013708000000000, 0.0040311800000000, -0.0005409100000000 ] - [ 0.0037146200000000, 0.0134039300000000, -0.0097501000000000 ] - [ 0.0013069000000000, 0.0009246100000000, -0.0005773000000000 ] - [ -0.0013237200000000, 0.0039857800000000, 0.0004921000000000 ] - [ 0.0053738400000000, 0.0018562400000000, 0.0006731500000000 ] - [ -0.0004038200000000, -0.0002595100000000, 0.0005704900000000 ] - [ 0.0006646600000000, -0.0003862100000000, 0.0007827700000000 ] - [ -0.0005492400000000, -0.0001643500000000, -0.0007771500000000 ] - [ 0.0004396600000000, -0.0002300700000000, -0.0001995800000000 ] - [ 0.0096438100000000, -0.0037542600000000, -0.0011698600000000 ] - [ 0.0019224900000000, -0.0004577500000000, 0.0006766200000000 ] - [ 0.0019727700000000, -0.0021862900000000, 0.0018833400000000 ] - [ -0.0035678400000000, -0.0043926900000000, -0.0079772500000000 ] - [ -0.0029248300000000, -0.0042883500000000, -0.0022107400000000 ] - [ 0.0005073600000000, -0.0001470600000000, -0.0000893000000000 ] - [ 0.0001246800000000, -0.0009953500000000, -0.0006484100000000 ] - [ -0.0007606300000000, -0.0004635800000000, 0.0000999900000000 ] - [ 0.0001622800000000, -0.0005023800000000, -0.0001214400000000 ] - [ 0.0014318700000000, -0.0004666600000000, 0.0003397600000000 ] - [ 0.0000338200000000, -0.0000040100000000, 0.0000272300000000 ] - [ 0.0003474100000000, 0.0000381300000000, -0.0000651100000000 ] - [ 0.0002509200000000, 0.0003401300000000, -0.0003935500000000 ] - [ -0.0005015000000000, 0.0000760700000000, 0.0001318300000000 ] - [ -0.0004256000000000, 0.0001031600000000, 0.0000510700000000 ] - [ 0.0008747600000000, -0.0000611900000000, 0.0001689100000000 ] - [ -0.0000181700000000, 0.0003407300000000, 0.0005686500000000 ] - [ -0.0008832800000000, -0.0001056400000000, -0.0004216800000000 ] - [ -0.0000548600000000, 0.0002018700000000, 0.0001280700000000 ] - [ 0.0003797400000000, 0.0000753800000000, -0.0000175400000000 ] - [ -0.0000588700000000, 0.0001563200000000, -0.0001346500000000 ] - [ -0.0009125200000000, -0.0001318200000000, 0.0004002400000000 ] - [ 0.0002495900000000, 0.0003400200000000, 0.0003466900000000 ] - [ 0.0009023200000000, -0.0000868100000000, -0.0001493400000000 ] - [ 0.0004258900000000, 0.0000736900000000, 0.0000152500000000 ] - [ -0.0005296800000000, 0.0000970600000000, -0.0001095200000000 ] - [ -0.0000212400000000, 0.0003432400000000, -0.0005280500000000 ] - [ 0.0003718400000000, 0.0000646400000000, 0.0000404800000000 ] - [ 0.0000323600000000, 0.0000407400000000, -0.0000312400000000 ] - [ -0.0004758600000000, 0.0001039600000000, -0.0000529000000000 ] - [ 0.0001630600000000, -0.0005480500000000, 0.0001204100000000 ] - [ -0.0007927100000000, -0.0004880200000000, -0.0001294200000000 ] - [ 0.0019744500000000, -0.0021942400000000, -0.0019285200000000 ] - [ 0.0005317200000000, -0.0001732800000000, 0.0001166800000000 ] - [ 0.0014797000000000, -0.0004796100000000, -0.0003464900000000 ] - [ -0.0036540000000000, -0.0043916300000000, 0.0080024500000000 ] - [ 0.0001181600000000, -0.0010061000000000, 0.0007014900000000 ] - [ 0.0019480500000000, -0.0004416000000000, -0.0007127900000000 ] - [ 0.0097601200000000, -0.0037729500000000, 0.0012002100000000 ] - [ -0.0030110700000000, -0.0042747100000000, 0.0022252500000000 ] - [ -0.0008558700000000, -0.0000533400000000, -0.0000136600000000 ] - [ -0.0008968700000000, -0.0000576800000000, 0.0007678100000000 ] - [ 0.0001212100000000, 0.0002530000000000, -0.0000098400000000 ] - [ 0.0004633400000000, -0.0003108000000000, -0.0003536900000000 ] - [ 0.0005128300000000, -0.0000586000000000, -0.0002701200000000 ] - [ -0.0015203700000000, 0.0004097600000000, 0.0010872200000000 ] - [ -0.0004267100000000, 0.0048261400000000, 0.0008243600000000 ] - [ 0.0003367500000000, 0.0013521900000000, -0.0015507500000000 ] - [ 0.0002227400000000, 0.0001211400000000, 0.0001639600000000 ] - [ -0.0002452600000000, 0.0000977800000000, -0.0000383900000000 ] - [ 0.0004452600000000, -0.0003371900000000, 0.0003842400000000 ] - [ -0.0015625200000000, -0.0001865800000000, -0.0000000400000000 ] - [ 0.0002415400000000, 0.0002528100000000, 0.0002312600000000 ] - [ -0.0004898800000000, 0.0003907000000000, -0.0003552400000000 ] - [ -0.0002066200000000, 0.0002239700000000, 0.0001036500000000 ] - [ -0.0002506300000000, 0.0002012400000000, -0.0000393600000000 ] - [ 0.0005976100000000, 0.0010692300000000, 0.0010855700000000 ] - [ 0.0005911700000000, 0.0000037900000000, 0.0000410600000000 ] - [ -0.0005112500000000, 0.0048455600000000, -0.0008779100000000 ] - [ 0.0008201000000000, -0.0000587200000000, 0.0000059500000000 ] - [ 0.0068788800000000, -0.0001855800000000, -0.0000467400000000 ] - [ -0.0005053700000000, 0.0000074900000000, -0.0000371600000000 ] - [ -0.0012333800000000, 0.0002203700000000, 0.0000586600000000 ] - [ -0.0004972200000000, -0.0001475700000000, -0.0001830800000000 ] - [ -0.0037308800000000, -0.0074256700000000, 0.0009195300000000 ] - [ 0.0004088400000000, 0.0008837200000000, 0.0007047900000000 ] - [ 0.0004489200000000, -0.0007197000000000, 0.0000963700000000 ] - [ -0.0004493000000000, -0.0001781000000000, -0.0003593300000000 ] - [ 0.0002398700000000, -0.0001428300000000, -0.0001585300000000 ] - [ 0.0004899800000000, -0.0004492600000000, 0.0008278500000000 ] - [ 0.0045176200000000, 0.0002730600000000, -0.0007378300000000 ] - [ -0.0035048200000000, -0.0003532500000000, 0.0009934200000000 ] - [ 0.0003843000000000, 0.0008412100000000, -0.0006682200000000 ] - [ -0.0005120600000000, 0.0000980900000000, -0.0000030300000000 ] - [ 0.0002857000000000, -0.0019726700000000, -0.0006617200000000 ] - [ -0.0011096000000000, -0.0005427500000000, 0.0010499300000000 ] - [ -0.0018332800000000, -0.0011140300000000, -0.0006920000000000 ] - [ -0.0009587700000000, -0.0012223700000000, 0.0000336100000000 ] - [ 0.0005563800000000, -0.0008037200000000, -0.0019137500000000 ] - [ 0.0073569400000000, -0.0000020200000000, -0.0000620000000000 ] - [ 0.0002553000000000, -0.0001803900000000, 0.0001296800000000 ] - [ 0.0024642000000000, 0.0004962100000000, -0.0001699900000000 ] - [ 0.0005397000000000, 0.0001225000000000, -0.0000012800000000 ] - [ -0.0025168700000000, 0.0000017800000000, -0.0000490900000000 ] - [ 0.0073420400000000, -0.0000092100000000, 0.0000989600000000 ] - [ 0.0041578700000000, 0.0002565800000000, 0.0009918300000000 ] - [ -0.0009293700000000, -0.0011859000000000, 0.0000025100000000 ] - [ -0.0024037700000000, 0.0016201100000000, -0.0011339400000000 ] - [ -0.0034760800000000, -0.0003634900000000, -0.0009817800000000 ] - [ 0.0005473800000000, -0.0008054900000000, 0.0019049900000000 ] - [ -0.0004140600000000, -0.0002336800000000, 0.0001701300000000 ] - [ -0.0011016100000000, -0.0005489800000000, -0.0010297100000000 ] - [ -0.0004933900000000, -0.0001263900000000, 0.0001743500000000 ] - [ 0.0004267400000000, -0.0006857300000000, -0.0000751600000000 ] - [ -0.0024328200000000, 0.0015668000000000, 0.0011561700000000 ] - [ 0.0031744700000000, -0.0006623300000000, 0.0000011600000000 ] - [ -0.0017964800000000, -0.0011403800000000, 0.0006591600000000 ] - [ 0.0004842700000000, -0.0004538100000000, -0.0008251400000000 ] - [ 0.0002485500000000, -0.0019268700000000, 0.0006305400000000 ] - [ -0.0038239600000000, -0.0074608200000000, -0.0008635300000000 ] - [ -0.0004285300000000, -0.0001546600000000, 0.0003362300000000 ] - [ -0.0012232700000000, 0.0002320400000000, -0.0000699200000000 ] - [ -0.0003830400000000, -0.0002627200000000, -0.0002044900000000 ] - [ -0.0025064200000000, 0.0000006100000000, 0.0000489000000000 ] - [ -0.0016239500000000, -0.0001387100000000, -0.0000020900000000 ] - [ 0.0024338600000000, 0.0005031200000000, 0.0001829500000000 ] - [ 0.0005919800000000, 0.0000092600000000, -0.0000441400000000 ] - [ 0.0002115300000000, 0.0001179000000000, -0.0001703800000000 ] - [ -0.0002212700000000, 0.0002367100000000, 0.0000682900000000 ] - [ -0.0002752600000000, -0.0001050200000000, 0.0001756100000000 ] - [ -0.0002221300000000, 0.0000788800000000, 0.0000625800000000 ] - [ 0.0005754000000000, 0.0010536500000000, -0.0011104400000000 ] - [ -0.0011301500000000, 0.0008614000000000, 0.0000298700000000 ] - [ -0.0004878500000000, 0.0003900800000000, 0.0003720500000000 ] - [ -0.0008911500000000, -0.0000387100000000, -0.0007755200000000 ] - [ 0.0005055300000000, -0.0000549500000000, 0.0002693600000000 ] - [ -0.0002987500000000, -0.0001411500000000, -0.0001469100000000 ] - [ 0.0007535600000000, 0.0001827900000000, -0.0000095500000000 ] - [ -0.0001818100000000, 0.0001939500000000, -0.0001364100000000 ] - [ 0.0003348200000000, 0.0013443500000000, 0.0015612800000000 ] - [ 0.0002016800000000, 0.0002861700000000, -0.0002663100000000 ] - [ 0.0000855000000000, 0.0002226400000000, 0.0000338100000000 ] - [ -0.0015227100000000, 0.0004038500000000, -0.0010971800000000 ] - [ -0.0008481400000000, -0.0000481300000000, 0.0000050300000000 ] - [ -0.0010928900000000, 0.0008280800000000, -0.0000657200000000 ] - [ -0.0004758300000000, -0.0000094600000000, 0.0000524800000000 ] - [ -0.0005955200000000, 0.0000791400000000, 0.0000007900000000 ] - [ 0.0008177300000000, -0.0000561300000000, -0.0000113700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0750425900000000 ] - [ -0.0000929400000000, 0.0105893900000000, 0.0046007800000000 ] - [ 0.0000929400000000, -0.0105893900000000, 0.0046007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060475600000000 ] - [ -0.0105893900000000, 0.0000929400000000, 0.0046007800000000 ] - [ 0.0105893900000000, -0.0000929400000000, 0.0046007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010094700000000 ] - [ 0.0002791900000000, 0.0021162100000000, 0.0018740500000000 ] - [ -0.0002791900000000, -0.0021162100000000, 0.0018740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008751400000000 ] - [ 0.0002326500000000, -0.0000768300000000, 0.0003315800000000 ] - [ -0.0002326500000000, 0.0000768300000000, 0.0003315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010094700000000 ] - [ 0.0000768300000000, -0.0002326500000000, 0.0003315800000000 ] - [ -0.0000768300000000, 0.0002326500000000, 0.0003315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008751400000000 ] - [ -0.0021162100000000, -0.0002791900000000, 0.0018740500000000 ] - [ 0.0021162100000000, 0.0002791900000000, 0.0018740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005719600000000 ] - [ -0.0000180400000000, -0.0002285100000000, -0.0001266800000000 ] - [ 0.0000180400000000, 0.0002285100000000, -0.0001266800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763800000000 ] - [ 0.0002285100000000, 0.0000180400000000, -0.0001266800000000 ] - [ -0.0002285100000000, -0.0000180400000000, -0.0001266800000000 ] - [ -0.0005191600000000, 0.0005836400000000, 0.0011290300000000 ] - [ -0.0005836400000000, 0.0005191600000000, 0.0011290300000000 ] - [ 0.0001537400000000, -0.0001537400000000, 0.0008539400000000 ] - [ 0.0003294400000000, -0.0003294400000000, 0.0031394200000000 ] - [ 0.0004942800000000, 0.0004942800000000, -0.0005999300000000 ] - [ 0.0106102000000000, 0.0106102000000000, -0.0004351100000000 ] - [ -0.0012336900000000, -0.0000803500000000, -0.0019071800000000 ] - [ -0.0000803500000000, -0.0012336900000000, -0.0019071800000000 ] - [ -0.0106102000000000, -0.0106102000000000, -0.0004351100000000 ] - [ -0.0004942800000000, -0.0004942800000000, -0.0005999300000000 ] - [ 0.0000803500000000, 0.0012336900000000, -0.0019071800000000 ] - [ 0.0012336900000000, 0.0000803500000000, -0.0019071800000000 ] - [ 0.0005836400000000, -0.0005191600000000, 0.0011290300000000 ] - [ 0.0005191600000000, -0.0005836400000000, 0.0011290300000000 ] - [ -0.0003294400000000, 0.0003294400000000, 0.0031394200000000 ] - [ -0.0001537400000000, 0.0001537400000000, 0.0008539400000000 ] - [ -0.0025605200000000, 0.0029721800000000, -0.0047529100000000 ] - [ 0.0003184300000000, 0.0000299400000000, -0.0005408500000000 ] - [ 0.0006289000000000, -0.0006289000000000, 0.0000101600000000 ] - [ -0.0070259500000000, 0.0070259500000000, 0.0138560000000000 ] - [ -0.0029721800000000, 0.0025605200000000, -0.0047529100000000 ] - [ -0.0001249700000000, 0.0001249700000000, -0.0000559500000000 ] - [ -0.0009603800000000, 0.0009603800000000, -0.0003746000000000 ] - [ -0.0000299400000000, -0.0003184300000000, -0.0005408500000000 ] - [ -0.0002535000000000, 0.0001313900000000, -0.0008174500000000 ] - [ -0.0001313900000000, 0.0002535000000000, -0.0008174500000000 ] - [ 0.0000130000000000, -0.0000376600000000, 0.0004957300000000 ] - [ -0.0000529600000000, -0.0000529600000000, 0.0002665100000000 ] - [ -0.0005081100000000, -0.0005081100000000, 0.0008274700000000 ] - [ 0.0001106100000000, 0.0004201800000000, 0.0001501600000000 ] - [ -0.0002063800000000, 0.0000105900000000, 0.0012837000000000 ] - [ 0.0004201800000000, 0.0001106100000000, 0.0001501600000000 ] - [ 0.0004237000000000, 0.0004237000000000, 0.0002488200000000 ] - [ -0.0012540200000000, -0.0012540200000000, 0.0026308500000000 ] - [ 0.0000105900000000, -0.0002063800000000, 0.0012837000000000 ] - [ -0.0000376600000000, 0.0000130000000000, 0.0004957300000000 ] - [ -0.0000105900000000, 0.0002063800000000, 0.0012837000000000 ] - [ 0.0012540200000000, 0.0012540200000000, 0.0026308500000000 ] - [ 0.0005081100000000, 0.0005081100000000, 0.0008274700000000 ] - [ -0.0004201800000000, -0.0001106100000000, 0.0001501600000000 ] - [ 0.0000376600000000, -0.0000130000000000, 0.0004957300000000 ] - [ -0.0001106100000000, -0.0004201800000000, 0.0001501600000000 ] - [ -0.0004237000000000, -0.0004237000000000, 0.0002488200000000 ] - [ 0.0000529600000000, 0.0000529600000000, 0.0002665100000000 ] - [ -0.0000130000000000, 0.0000376600000000, 0.0004957300000000 ] - [ 0.0002063800000000, -0.0000105900000000, 0.0012837000000000 ] - [ 0.0002535000000000, -0.0001313900000000, -0.0008174500000000 ] - [ 0.0000299400000000, 0.0003184300000000, -0.0005408500000000 ] - [ -0.0006289000000000, 0.0006289000000000, 0.0000101600000000 ] - [ 0.0001249700000000, -0.0001249700000000, -0.0000559500000000 ] - [ 0.0001313900000000, -0.0002535000000000, -0.0008174500000000 ] - [ 0.0070259500000000, -0.0070259500000000, 0.0138560000000000 ] - [ 0.0009603800000000, -0.0009603800000000, -0.0003746000000000 ] - [ -0.0003184300000000, -0.0000299400000000, -0.0005408500000000 ] - [ 0.0025605200000000, -0.0029721800000000, -0.0047529100000000 ] - [ 0.0029721800000000, -0.0025605200000000, -0.0047529100000000 ] - [ 0.0001106000000000, -0.0001908200000000, -0.0004370700000000 ] - [ 0.0007888200000000, -0.0000134800000000, -0.0013626800000000 ] - [ -0.0001068400000000, 0.0002550600000000, -0.0010498400000000 ] - [ -0.0007173200000000, -0.0007173200000000, -0.0016041700000000 ] - [ -0.0002430700000000, 0.0000190200000000, -0.0019987400000000 ] - [ 0.0007866500000000, -0.0007007400000000, -0.0000267700000000 ] - [ 0.0022864900000000, -0.0022864900000000, 0.0051110100000000 ] - [ -0.0019459400000000, 0.0019459400000000, -0.0027961300000000 ] - [ 0.0001908200000000, -0.0001106000000000, -0.0004370700000000 ] - [ -0.0000291800000000, 0.0000074800000000, -0.0003775100000000 ] - [ 0.0007173200000000, 0.0007173200000000, -0.0016041700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002636000000000 ] - [ 0.0007237800000000, -0.0007237800000000, -0.0019313100000000 ] - [ -0.0003785400000000, 0.0003785400000000, -0.0004244700000000 ] - [ 0.0001953700000000, -0.0001953700000000, -0.0005525700000000 ] - [ -0.0002550600000000, 0.0001068400000000, -0.0010498400000000 ] - [ 0.0007007400000000, -0.0007866500000000, -0.0000267700000000 ] - [ 0.0000134800000000, -0.0007888200000000, -0.0013626800000000 ] - [ -0.0022864900000000, 0.0022864900000000, 0.0051110100000000 ] - [ -0.0000190200000000, 0.0002430700000000, -0.0019987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022565300000000 ] - [ -0.0000074800000000, 0.0000291800000000, -0.0003775100000000 ] - [ -0.0000752500000000, -0.0002033000000000, 0.0002917600000000 ] - [ -0.0002033000000000, -0.0000752500000000, 0.0002917600000000 ] - [ 0.0022868000000000, 0.0022868000000000, 0.0056218700000000 ] - [ 0.0009159300000000, -0.0010212900000000, 0.0008076600000000 ] - [ 0.0000920600000000, 0.0002043200000000, 0.0007035500000000 ] - [ -0.0002198500000000, -0.0002198500000000, -0.0001440200000000 ] - [ -0.0000358500000000, -0.0001331500000000, -0.0009025700000000 ] - [ 0.0007288900000000, 0.0007973000000000, 0.0002830600000000 ] - [ -0.0016382600000000, 0.0002842300000000, 0.0051600800000000 ] - [ 0.0002126000000000, -0.0001431500000000, 0.0022410800000000 ] - [ -0.0009159300000000, 0.0010212900000000, 0.0008076600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001369300000000 ] - [ -0.0008737200000000, -0.0015943200000000, 0.0012274900000000 ] - [ 0.0007973000000000, 0.0007288900000000, 0.0002830600000000 ] - [ -0.0015943200000000, -0.0008737200000000, 0.0012274900000000 ] - [ 0.0002528200000000, 0.0002528200000000, 0.0007339100000000 ] - [ -0.0009960600000000, -0.0009960600000000, -0.0013450900000000 ] - [ 0.0002842300000000, -0.0016382600000000, 0.0051600800000000 ] - [ 0.0000358500000000, 0.0001331500000000, -0.0009025700000000 ] - [ -0.0001431500000000, 0.0002126000000000, 0.0022410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002334200000000 ] - [ 0.0002043200000000, 0.0000920600000000, 0.0007035500000000 ] - [ -0.0002842300000000, 0.0016382600000000, 0.0051600800000000 ] - [ 0.0016382600000000, -0.0002842300000000, 0.0051600800000000 ] - [ -0.0002528200000000, -0.0002528200000000, 0.0007339100000000 ] - [ -0.0010212900000000, 0.0009159300000000, 0.0008076600000000 ] - [ -0.0002126000000000, 0.0001431500000000, 0.0022410800000000 ] - [ 0.0009960600000000, 0.0009960600000000, -0.0013450900000000 ] - [ 0.0001331500000000, 0.0000358500000000, -0.0009025700000000 ] - [ -0.0007973000000000, -0.0007288900000000, 0.0002830600000000 ] - [ 0.0002033000000000, 0.0000752500000000, 0.0002917600000000 ] - [ -0.0000920600000000, -0.0002043200000000, 0.0007035500000000 ] - [ 0.0010212900000000, -0.0009159300000000, 0.0008076600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050098300000000 ] - [ 0.0015943200000000, 0.0008737200000000, 0.0012274900000000 ] - [ -0.0007288900000000, -0.0007973000000000, 0.0002830600000000 ] - [ 0.0008737200000000, 0.0015943200000000, 0.0012274900000000 ] - [ -0.0022868000000000, -0.0022868000000000, 0.0056218700000000 ] - [ 0.0002198500000000, 0.0002198500000000, -0.0001440200000000 ] - [ 0.0000752500000000, 0.0002033000000000, 0.0002917600000000 ] - [ -0.0001331500000000, -0.0000358500000000, -0.0009025700000000 ] - [ -0.0002043200000000, -0.0000920600000000, 0.0007035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002334200000000 ] - [ 0.0001431500000000, -0.0002126000000000, 0.0022410800000000 ] - [ -0.0000134800000000, 0.0007888200000000, -0.0013626800000000 ] - [ -0.0001908200000000, 0.0001106000000000, -0.0004370700000000 ] - [ 0.0002550600000000, -0.0001068400000000, -0.0010498400000000 ] - [ 0.0002184500000000, 0.0002184500000000, -0.0004650400000000 ] - [ 0.0000291800000000, -0.0000074800000000, -0.0003775100000000 ] - [ -0.0007007400000000, 0.0007866500000000, -0.0000267700000000 ] - [ -0.0003490600000000, 0.0003490600000000, 0.0007083200000000 ] - [ 0.0003785400000000, -0.0003785400000000, -0.0004244700000000 ] - [ -0.0007888200000000, 0.0000134800000000, -0.0013626800000000 ] - [ 0.0002430700000000, -0.0000190200000000, -0.0019987400000000 ] - [ -0.0002184500000000, -0.0002184500000000, -0.0004650400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002636000000000 ] - [ -0.0001953700000000, 0.0001953700000000, -0.0005525700000000 ] - [ 0.0019459400000000, -0.0019459400000000, -0.0027961300000000 ] - [ -0.0007237800000000, 0.0007237800000000, -0.0019313100000000 ] - [ 0.0001068400000000, -0.0002550600000000, -0.0010498400000000 ] - [ -0.0007866500000000, 0.0007007400000000, -0.0000267700000000 ] - [ -0.0001106000000000, 0.0001908200000000, -0.0004370700000000 ] - [ 0.0003490600000000, -0.0003490600000000, 0.0007083200000000 ] - [ 0.0000074800000000, -0.0000291800000000, -0.0003775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000741100000000 ] - [ 0.0000190200000000, -0.0002430700000000, -0.0019987400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0749318000000000 ] - [ 0.0000786100000000, -0.0106963500000000, -0.0046279200000000 ] - [ -0.0000786100000000, 0.0106963500000000, -0.0046279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060979400000000 ] - [ 0.0106963500000000, -0.0000786100000000, -0.0046279200000000 ] - [ -0.0106963500000000, 0.0000786100000000, -0.0046279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010280000000000 ] - [ -0.0002359000000000, -0.0021081400000000, -0.0018619900000000 ] - [ 0.0002359000000000, 0.0021081400000000, -0.0018619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008736500000000 ] - [ -0.0002509700000000, 0.0000496900000000, -0.0003187600000000 ] - [ 0.0002509700000000, -0.0000496900000000, -0.0003187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010280000000000 ] - [ -0.0000496900000000, 0.0002509700000000, -0.0003187600000000 ] - [ 0.0000496900000000, -0.0002509700000000, -0.0003187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008736500000000 ] - [ 0.0021081400000000, 0.0002359000000000, -0.0018619900000000 ] - [ -0.0021081400000000, -0.0002359000000000, -0.0018619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005532800000000 ] - [ -0.0000139400000000, 0.0002279800000000, 0.0001261500000000 ] - [ 0.0000139400000000, -0.0002279800000000, 0.0001261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655900000000 ] - [ -0.0002279800000000, 0.0000139400000000, 0.0001261500000000 ] - [ 0.0002279800000000, -0.0000139400000000, 0.0001261500000000 ] - [ 0.0005830800000000, -0.0005458100000000, -0.0010822100000000 ] - [ 0.0005458100000000, -0.0005830800000000, -0.0010822100000000 ] - [ -0.0000864900000000, 0.0000864900000000, -0.0009105800000000 ] - [ -0.0003807300000000, 0.0003807300000000, -0.0032041000000000 ] - [ -0.0004601500000000, -0.0004601500000000, 0.0006327900000000 ] - [ -0.0106319900000000, -0.0106319900000000, 0.0004227200000000 ] - [ 0.0012608600000000, 0.0000370700000000, 0.0018715500000000 ] - [ 0.0000370700000000, 0.0012608600000000, 0.0018715500000000 ] - [ 0.0106319900000000, 0.0106319900000000, 0.0004227200000000 ] - [ 0.0004601500000000, 0.0004601500000000, 0.0006327900000000 ] - [ -0.0000370700000000, -0.0012608600000000, 0.0018715500000000 ] - [ -0.0012608600000000, -0.0000370700000000, 0.0018715500000000 ] - [ -0.0005458100000000, 0.0005830800000000, -0.0010822100000000 ] - [ -0.0005830800000000, 0.0005458100000000, -0.0010822100000000 ] - [ 0.0003807300000000, -0.0003807300000000, -0.0032041000000000 ] - [ 0.0000864900000000, -0.0000864900000000, -0.0009105800000000 ] - [ 0.0026008400000000, -0.0030229600000000, 0.0047406000000000 ] - [ -0.0003384700000000, -0.0000484300000000, 0.0005278000000000 ] - [ -0.0006194500000000, 0.0006194500000000, -0.0000330600000000 ] - [ 0.0069097100000000, -0.0069097100000000, -0.0136545900000000 ] - [ 0.0030229600000000, -0.0026008400000000, 0.0047406000000000 ] - [ 0.0001060500000000, -0.0001060500000000, 0.0000734000000000 ] - [ 0.0009571900000000, -0.0009571900000000, 0.0004108500000000 ] - [ 0.0000484300000000, 0.0003384700000000, 0.0005278000000000 ] - [ 0.0002533100000000, -0.0000883800000000, 0.0008189900000000 ] - [ 0.0000883800000000, -0.0002533100000000, 0.0008189900000000 ] - [ -0.0000136400000000, -0.0000061300000000, -0.0005007500000000 ] - [ 0.0000309300000000, 0.0000309300000000, -0.0002867100000000 ] - [ 0.0005074300000000, 0.0005074300000000, -0.0008717300000000 ] - [ -0.0000927200000000, -0.0004456200000000, -0.0001279300000000 ] - [ 0.0002479800000000, -0.0000138200000000, -0.0012919500000000 ] - [ -0.0004456200000000, -0.0000927200000000, -0.0001279300000000 ] - [ -0.0004270300000000, -0.0004270300000000, -0.0002016000000000 ] - [ 0.0012589700000000, 0.0012589700000000, -0.0026421300000000 ] - [ -0.0000138200000000, 0.0002479800000000, -0.0012919500000000 ] - [ -0.0000061300000000, -0.0000136400000000, -0.0005007500000000 ] - [ 0.0000138200000000, -0.0002479800000000, -0.0012919500000000 ] - [ -0.0012589700000000, -0.0012589700000000, -0.0026421300000000 ] - [ -0.0005074300000000, -0.0005074300000000, -0.0008717300000000 ] - [ 0.0004456200000000, 0.0000927200000000, -0.0001279300000000 ] - [ 0.0000061300000000, 0.0000136400000000, -0.0005007500000000 ] - [ 0.0000927200000000, 0.0004456200000000, -0.0001279300000000 ] - [ 0.0004270300000000, 0.0004270300000000, -0.0002016000000000 ] - [ -0.0000309300000000, -0.0000309300000000, -0.0002867100000000 ] - [ 0.0000136400000000, 0.0000061300000000, -0.0005007500000000 ] - [ -0.0002479800000000, 0.0000138200000000, -0.0012919500000000 ] - [ -0.0002533100000000, 0.0000883800000000, 0.0008189900000000 ] - [ -0.0000484300000000, -0.0003384700000000, 0.0005278000000000 ] - [ 0.0006194500000000, -0.0006194500000000, -0.0000330600000000 ] - [ -0.0001060500000000, 0.0001060500000000, 0.0000734000000000 ] - [ -0.0000883800000000, 0.0002533100000000, 0.0008189900000000 ] - [ -0.0069097100000000, 0.0069097100000000, -0.0136545900000000 ] - [ -0.0009571900000000, 0.0009571900000000, 0.0004108500000000 ] - [ 0.0003384700000000, 0.0000484300000000, 0.0005278000000000 ] - [ -0.0026008400000000, 0.0030229600000000, 0.0047406000000000 ] - [ -0.0030229600000000, 0.0026008400000000, 0.0047406000000000 ] - [ -0.0000910400000000, 0.0001596800000000, 0.0004003100000000 ] - [ -0.0008267500000000, 0.0000223600000000, 0.0013425400000000 ] - [ 0.0001317900000000, -0.0002194100000000, 0.0010870500000000 ] - [ 0.0007634700000000, 0.0007634700000000, 0.0016224300000000 ] - [ 0.0002582400000000, 0.0000023100000000, 0.0020227900000000 ] - [ -0.0008079200000000, 0.0006875700000000, 0.0000290600000000 ] - [ -0.0022793000000000, 0.0022793000000000, -0.0051696900000000 ] - [ 0.0019685400000000, -0.0019685400000000, 0.0027678600000000 ] - [ -0.0001596800000000, 0.0000910400000000, 0.0004003100000000 ] - [ -0.0000022200000000, -0.0000323300000000, 0.0004063400000000 ] - [ -0.0007634700000000, -0.0007634700000000, 0.0016224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002719600000000 ] - [ -0.0007061100000000, 0.0007061100000000, 0.0019119900000000 ] - [ 0.0003546300000000, -0.0003546300000000, 0.0004008600000000 ] - [ -0.0002218900000000, 0.0002218900000000, 0.0005317700000000 ] - [ 0.0002194100000000, -0.0001317900000000, 0.0010870500000000 ] - [ -0.0006875700000000, 0.0008079200000000, 0.0000290600000000 ] - [ -0.0000223600000000, 0.0008267500000000, 0.0013425400000000 ] - [ 0.0022793000000000, -0.0022793000000000, -0.0051696900000000 ] - [ -0.0000023100000000, -0.0002582400000000, 0.0020227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029883100000000 ] - [ 0.0000323300000000, 0.0000022200000000, 0.0004063400000000 ] - [ 0.0000721000000000, 0.0002031500000000, -0.0002927800000000 ] - [ 0.0002031500000000, 0.0000721000000000, -0.0002927800000000 ] - [ -0.0022125200000000, -0.0022125200000000, -0.0056153900000000 ] - [ -0.0008974800000000, 0.0010261600000000, -0.0007612100000000 ] - [ -0.0000812000000000, -0.0002054400000000, -0.0006996000000000 ] - [ 0.0001991500000000, 0.0001991500000000, 0.0001555100000000 ] - [ 0.0000189800000000, 0.0001614700000000, 0.0008971400000000 ] - [ -0.0007331200000000, -0.0008082700000000, -0.0002790800000000 ] - [ 0.0018858600000000, -0.0002958100000000, -0.0049662600000000 ] - [ -0.0002368200000000, 0.0001293800000000, -0.0022289100000000 ] - [ 0.0008974800000000, -0.0010261600000000, -0.0007612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001456700000000 ] - [ 0.0009093500000000, 0.0015692800000000, -0.0012520900000000 ] - [ -0.0008082700000000, -0.0007331200000000, -0.0002790800000000 ] - [ 0.0015692800000000, 0.0009093500000000, -0.0012520900000000 ] - [ -0.0002793700000000, -0.0002793700000000, -0.0007053600000000 ] - [ 0.0010083500000000, 0.0010083500000000, 0.0013642700000000 ] - [ -0.0002958100000000, 0.0018858600000000, -0.0049662600000000 ] - [ -0.0000189800000000, -0.0001614700000000, 0.0008971400000000 ] - [ 0.0001293800000000, -0.0002368200000000, -0.0022289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377900000000 ] - [ -0.0002054400000000, -0.0000812000000000, -0.0006996000000000 ] - [ 0.0002958100000000, -0.0018858600000000, -0.0049662600000000 ] - [ -0.0018858600000000, 0.0002958100000000, -0.0049662600000000 ] - [ 0.0002793700000000, 0.0002793700000000, -0.0007053600000000 ] - [ 0.0010261600000000, -0.0008974800000000, -0.0007612100000000 ] - [ 0.0002368200000000, -0.0001293800000000, -0.0022289100000000 ] - [ -0.0010083500000000, -0.0010083500000000, 0.0013642700000000 ] - [ -0.0001614700000000, -0.0000189800000000, 0.0008971400000000 ] - [ 0.0008082700000000, 0.0007331200000000, -0.0002790800000000 ] - [ -0.0002031500000000, -0.0000721000000000, -0.0002927800000000 ] - [ 0.0000812000000000, 0.0002054400000000, -0.0006996000000000 ] - [ -0.0010261600000000, 0.0008974800000000, -0.0007612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049425100000000 ] - [ -0.0015692800000000, -0.0009093500000000, -0.0012520900000000 ] - [ 0.0007331200000000, 0.0008082700000000, -0.0002790800000000 ] - [ -0.0009093500000000, -0.0015692800000000, -0.0012520900000000 ] - [ 0.0022125200000000, 0.0022125200000000, -0.0056153900000000 ] - [ -0.0001991500000000, -0.0001991500000000, 0.0001555100000000 ] - [ -0.0000721000000000, -0.0002031500000000, -0.0002927800000000 ] - [ 0.0001614700000000, 0.0000189800000000, 0.0008971400000000 ] - [ 0.0002054400000000, 0.0000812000000000, -0.0006996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377900000000 ] - [ -0.0001293800000000, 0.0002368200000000, -0.0022289100000000 ] - [ 0.0000223600000000, -0.0008267500000000, 0.0013425400000000 ] - [ 0.0001596800000000, -0.0000910400000000, 0.0004003100000000 ] - [ -0.0002194100000000, 0.0001317900000000, 0.0010870500000000 ] - [ -0.0001850400000000, -0.0001850400000000, 0.0004626200000000 ] - [ 0.0000022200000000, 0.0000323300000000, 0.0004063400000000 ] - [ 0.0006875700000000, -0.0008079200000000, 0.0000290600000000 ] - [ 0.0003167800000000, -0.0003167800000000, -0.0007555000000000 ] - [ -0.0003546300000000, 0.0003546300000000, 0.0004008600000000 ] - [ 0.0008267500000000, -0.0000223600000000, 0.0013425400000000 ] - [ -0.0002582400000000, -0.0000023100000000, 0.0020227900000000 ] - [ 0.0001850400000000, 0.0001850400000000, 0.0004626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002719600000000 ] - [ 0.0002218900000000, -0.0002218900000000, 0.0005317700000000 ] - [ -0.0019685400000000, 0.0019685400000000, 0.0027678600000000 ] - [ 0.0007061100000000, -0.0007061100000000, 0.0019119900000000 ] - [ -0.0001317900000000, 0.0002194100000000, 0.0010870500000000 ] - [ 0.0008079200000000, -0.0006875700000000, 0.0000290600000000 ] - [ 0.0000910400000000, -0.0001596800000000, 0.0004003100000000 ] - [ -0.0003167800000000, 0.0003167800000000, -0.0007555000000000 ] - [ -0.0000323300000000, -0.0000022200000000, 0.0004063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732300000000 ] - [ 0.0000023100000000, 0.0002582400000000, 0.0020227900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006668500000000, -0.0002663300000000, -0.0005477300000000 ] - [ 0.0053895000000000, 0.0012381700000000, -0.0040021100000000 ] - [ 0.0006668500000000, -0.0005477300000000, -0.0002663300000000 ] - [ 0.0053895000000000, -0.0040021100000000, 0.0012381700000000 ] - [ -0.0004013800000000, -0.0097949400000000, -0.0097949400000000 ] - [ 0.0031706600000000, 0.0007576900000000, 0.0007576900000000 ] - [ 0.0013251200000000, 0.0009404700000000, 0.0004763400000000 ] - [ 0.0004454300000000, -0.0001264500000000, 0.0002449100000000 ] - [ 0.0013251200000000, 0.0004763400000000, 0.0009404700000000 ] - [ 0.0004454300000000, 0.0002449100000000, -0.0001264500000000 ] - [ -0.0006129100000000, 0.0006038900000000, 0.0006038900000000 ] - [ 0.0008982700000000, -0.0001708900000000, -0.0001708900000000 ] - [ 0.0036702300000000, 0.0134746400000000, -0.0106518900000000 ] - [ -0.0013629700000000, -0.0000559700000000, -0.0018432300000000 ] - [ -0.0004276200000000, 0.0005578000000000, -0.0003672800000000 ] - [ -0.0005678300000000, 0.0001346000000000, 0.0003701800000000 ] - [ 0.0011005400000000, 0.0005534300000000, -0.0007765700000000 ] - [ -0.0018940700000000, -0.0005256800000000, 0.0006895500000000 ] - [ -0.0004276200000000, -0.0003672800000000, 0.0005578000000000 ] - [ -0.0005678300000000, 0.0003701800000000, 0.0001346000000000 ] - [ 0.0036702300000000, -0.0106518900000000, 0.0134746400000000 ] - [ -0.0013629700000000, -0.0018432300000000, -0.0000559700000000 ] - [ 0.0011005400000000, -0.0007765700000000, 0.0005534300000000 ] - [ -0.0018940700000000, 0.0006895500000000, -0.0005256800000000 ] - [ -0.1620746200000000, -0.0111346500000000, -0.0111346500000000 ] - [ 0.0123367100000000, 0.0352673400000000, 0.0002400700000000 ] - [ -0.0105661300000000, -0.0001784100000000, -0.0001784100000000 ] - [ 0.0123367100000000, 0.0002400700000000, 0.0352673400000000 ] - [ -0.0007799800000000, 0.0000263200000000, 0.0000263200000000 ] - [ -0.0002551000000000, -0.0002900200000000, 0.0001827700000000 ] - [ -0.0014746900000000, 0.0000210900000000, 0.0000210900000000 ] - [ -0.0002551000000000, 0.0001827700000000, -0.0002900200000000 ] - [ 0.0013624500000000, 0.0000374000000000, 0.0001009100000000 ] - [ 0.0003027900000000, -0.0002740700000000, 0.0000488100000000 ] - [ 0.0020266100000000, -0.0001789100000000, -0.0000475000000000 ] - [ 0.0011989700000000, -0.0000140500000000, 0.0030548900000000 ] - [ 0.0013624500000000, 0.0001009100000000, 0.0000374000000000 ] - [ 0.0011989700000000, 0.0030548900000000, -0.0000140500000000 ] - [ 0.0020266100000000, -0.0000475000000000, -0.0001789100000000 ] - [ 0.0003027900000000, 0.0000488100000000, -0.0002740700000000 ] - [ 0.0005833800000000, 0.0002167800000000, 0.0002939300000000 ] - [ 0.0010244400000000, 0.0013582300000000, 0.0013582300000000 ] - [ 0.0005833800000000, 0.0002939300000000, 0.0002167800000000 ] - [ 0.0006570800000000, -0.0002246500000000, 0.0002530400000000 ] - [ 0.0004593200000000, 0.0000433100000000, 0.0000433100000000 ] - [ 0.0000408900000000, -0.0001077100000000, -0.0001077100000000 ] - [ 0.0003671500000000, 0.0000329000000000, 0.0000161500000000 ] - [ 0.0006570800000000, 0.0002530400000000, -0.0002246500000000 ] - [ 0.0003671500000000, 0.0000161500000000, 0.0000329000000000 ] - [ 0.0000750200000000, 0.0001914700000000, 0.0001914700000000 ] - [ 0.0020543100000000, -0.0011823800000000, -0.0011182500000000 ] - [ 0.0007342700000000, -0.0012451300000000, -0.0012451300000000 ] - [ 0.0020543100000000, -0.0011182500000000, -0.0011823800000000 ] - [ 0.0018714000000000, 0.0006810400000000, -0.0006732100000000 ] - [ 0.0036299600000000, 0.0002791700000000, 0.0002791700000000 ] - [ 0.0110069400000000, 0.0086933700000000, 0.0086933700000000 ] - [ 0.0037908800000000, -0.0004842100000000, 0.0002740700000000 ] - [ 0.0018714000000000, -0.0006732100000000, 0.0006810400000000 ] - [ 0.0037908800000000, 0.0002740700000000, -0.0004842100000000 ] - [ 0.0110449100000000, -0.0090326900000000, -0.0090326900000000 ] - [ -0.0024219000000000, -0.0032511100000000, -0.0001338200000000 ] - [ 0.0009833700000000, -0.0011267000000000, 0.0010625500000000 ] - [ -0.0006938700000000, -0.0000339500000000, -0.0001102100000000 ] - [ -0.0024291900000000, 0.0032156500000000, -0.0002866700000000 ] - [ -0.0008921500000000, 0.0005265500000000, -0.0002018200000000 ] - [ 0.0005071400000000, 0.0006579700000000, -0.0004562000000000 ] - [ -0.0007697600000000, -0.0000684100000000, -0.0002040400000000 ] - [ -0.0006926600000000, -0.0000660800000000, 0.0000954500000000 ] - [ -0.0010281300000000, 0.0006783800000000, 0.0005029100000000 ] - [ 0.0001219100000000, -0.0003319400000000, 0.0000601700000000 ] - [ -0.0006938700000000, -0.0001102100000000, -0.0000339500000000 ] - [ 0.0009833700000000, 0.0010625500000000, -0.0011267000000000 ] - [ -0.0024219000000000, -0.0001338200000000, -0.0032511100000000 ] - [ -0.0006926600000000, 0.0000954500000000, -0.0000660800000000 ] - [ -0.0008921500000000, -0.0002018200000000, 0.0005265500000000 ] - [ 0.0005071400000000, -0.0004562000000000, 0.0006579700000000 ] - [ -0.0010281300000000, 0.0005029100000000, 0.0006783800000000 ] - [ -0.0024291900000000, -0.0002866700000000, 0.0032156500000000 ] - [ -0.0007697600000000, -0.0002040400000000, -0.0000684100000000 ] - [ 0.0001219100000000, 0.0000601700000000, -0.0003319400000000 ] - [ 0.0475993800000000, -0.0007094700000000, -0.0007094700000000 ] - [ 0.0102596800000000, -0.0021547600000000, -0.0009141700000000 ] - [ 0.0016214900000000, -0.0042368500000000, -0.0042368500000000 ] - [ -0.0033359000000000, 0.0002087600000000, 0.0002087600000000 ] - [ 0.0003055800000000, 0.0045927900000000, -0.0029830000000000 ] - [ 0.0102596800000000, -0.0009141700000000, -0.0021547600000000 ] - [ 0.0007742400000000, 0.0000466900000000, 0.0008904300000000 ] - [ 0.0001929600000000, -0.0000517500000000, -0.0047651300000000 ] - [ 0.0001929600000000, -0.0047651300000000, -0.0000517500000000 ] - [ 0.0013937900000000, -0.0003108500000000, -0.0002616000000000 ] - [ 0.0007742400000000, 0.0008904300000000, 0.0000466900000000 ] - [ 0.0015963100000000, -0.0038477100000000, -0.0038477100000000 ] - [ 0.0223792400000000, -0.0023610500000000, -0.0023610500000000 ] - [ 0.0013937900000000, -0.0002616000000000, -0.0003108500000000 ] - [ 0.0170506600000000, -0.0007875400000000, 0.0004709300000000 ] - [ 0.0170506600000000, 0.0004709300000000, -0.0007875400000000 ] - [ 0.0003055800000000, -0.0029830000000000, 0.0045927900000000 ] - [ -0.0043573100000000, -0.0026404300000000, 0.0000362900000000 ] - [ -0.0006821000000000, -0.0001441000000000, -0.0001441000000000 ] - [ -0.0043573100000000, 0.0000362900000000, -0.0026404300000000 ] - [ -0.0024149300000000, 0.0015906500000000, 0.0015906500000000 ] - [ 0.0020527400000000, 0.0038784400000000, 0.0038784400000000 ] - [ 0.0003758400000000, -0.0000133100000000, -0.0000133100000000 ] - [ 0.0006063100000000, -0.0000371300000000, -0.0000723300000000 ] - [ 0.0004601400000000, 0.0004097400000000, 0.0004097400000000 ] - [ -0.0004233400000000, 0.0000303600000000, 0.0000303600000000 ] - [ 0.0003158600000000, -0.0005677700000000, 0.0006580100000000 ] - [ 0.0006063100000000, -0.0000723300000000, -0.0000371300000000 ] - [ 0.0002878200000000, -0.0001991200000000, -0.0003874800000000 ] - [ 0.0002486000000000, -0.0002882900000000, 0.0003766100000000 ] - [ 0.0002486000000000, 0.0003766100000000, -0.0002882900000000 ] - [ 0.0018404700000000, -0.0001962400000000, 0.0001348900000000 ] - [ 0.0002878200000000, -0.0003874800000000, -0.0001991200000000 ] - [ 0.0005547200000000, 0.0005728100000000, 0.0005728100000000 ] - [ 0.0003031800000000, 0.0000249100000000, 0.0000249100000000 ] - [ 0.0018404700000000, 0.0001348900000000, -0.0001962400000000 ] - [ 0.0005900800000000, 0.0000356500000000, -0.0000966400000000 ] - [ 0.0005900800000000, -0.0000966400000000, 0.0000356500000000 ] - [ 0.0003158600000000, 0.0006580100000000, -0.0005677700000000 ] - [ -0.0003062200000000, 0.0001505400000000, -0.0000804400000000 ] - [ -0.0020544800000000, -0.0000778300000000, -0.0000778300000000 ] - [ -0.0003062200000000, -0.0000804400000000, 0.0001505400000000 ] - [ -0.0005147600000000, -0.0003003800000000, -0.0003003800000000 ] - [ 0.0006517100000000, -0.0007326900000000, -0.0007326900000000 ] - [ -0.0009319800000000, 0.0000265300000000, -0.0002353400000000 ] - [ -0.0007648100000000, -0.0000140500000000, -0.0000753100000000 ] - [ -0.0011544800000000, 0.0004554100000000, -0.0008428700000000 ] - [ 0.0011461600000000, -0.0000004800000000, -0.0003220600000000 ] - [ -0.0006511100000000, -0.0004214800000000, -0.0008173300000000 ] - [ -0.0018829500000000, -0.0001888500000000, 0.0001470700000000 ] - [ -0.0045418900000000, -0.0004661000000000, 0.0041229500000000 ] - [ -0.0047886300000000, 0.0004409200000000, -0.0042888700000000 ] - [ -0.0001846600000000, 0.0002201200000000, 0.0000308200000000 ] - [ -0.0006605100000000, 0.0000547100000000, -0.0000247900000000 ] - [ -0.0002499000000000, -0.0002012600000000, -0.0000642800000000 ] - [ -0.0009038800000000, 0.0003746100000000, -0.0006331900000000 ] - [ -0.0006001600000000, 0.0000628200000000, -0.0006123100000000 ] - [ -0.0024228800000000, 0.0000991900000000, -0.0002595000000000 ] - [ -0.0008237200000000, 0.0000515600000000, -0.0000811500000000 ] - [ -0.0016726200000000, 0.0001493700000000, -0.0001626600000000 ] - [ -0.0005229100000000, 0.0004274500000000, 0.0007801500000000 ] - [ 0.0004471000000000, 0.0001756700000000, -0.0000353100000000 ] - [ 0.0018076700000000, -0.0002225400000000, 0.0001256500000000 ] - [ 0.0009284800000000, -0.0003009100000000, -0.0012933100000000 ] - [ 0.0007691900000000, -0.0000681100000000, 0.0019920200000000 ] - [ -0.0010426800000000, -0.0004574700000000, 0.0008935400000000 ] - [ -0.0009319800000000, -0.0002353400000000, 0.0000265300000000 ] - [ -0.0018829500000000, 0.0001470700000000, -0.0001888500000000 ] - [ -0.0011544800000000, -0.0008428700000000, 0.0004554100000000 ] - [ 0.0011461600000000, -0.0003220600000000, -0.0000004800000000 ] - [ -0.0005229100000000, 0.0007801500000000, 0.0004274500000000 ] - [ -0.0007648100000000, -0.0000753100000000, -0.0000140500000000 ] - [ -0.0002499000000000, -0.0000642800000000, -0.0002012600000000 ] - [ -0.0001846600000000, 0.0000308200000000, 0.0002201200000000 ] - [ -0.0047886300000000, -0.0042888700000000, 0.0004409200000000 ] - [ -0.0024228800000000, -0.0002595000000000, 0.0000991900000000 ] - [ -0.0045418900000000, 0.0041229500000000, -0.0004661000000000 ] - [ -0.0009038800000000, -0.0006331900000000, 0.0003746100000000 ] - [ -0.0006001600000000, -0.0006123100000000, 0.0000628200000000 ] - [ -0.0006605100000000, -0.0000247900000000, 0.0000547100000000 ] - [ -0.0016726200000000, -0.0001626600000000, 0.0001493700000000 ] - [ -0.0008237200000000, -0.0000811500000000, 0.0000515600000000 ] - [ -0.0006511100000000, -0.0008173300000000, -0.0004214800000000 ] - [ 0.0009284800000000, -0.0012933100000000, -0.0003009100000000 ] - [ 0.0018076700000000, 0.0001256500000000, -0.0002225400000000 ] - [ 0.0004471000000000, -0.0000353100000000, 0.0001756700000000 ] - [ 0.0007691900000000, 0.0019920200000000, -0.0000681100000000 ] - [ -0.0010426800000000, 0.0008935400000000, -0.0004574700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006745000000000, 0.0002826500000000, 0.0005376200000000 ] - [ -0.0054007500000000, -0.0012279200000000, 0.0040274900000000 ] - [ -0.0006745000000000, 0.0005376200000000, 0.0002826500000000 ] - [ -0.0054007500000000, 0.0040274900000000, -0.0012279200000000 ] - [ 0.0004317200000000, 0.0098179200000000, 0.0098179200000000 ] - [ -0.0031693700000000, -0.0007491200000000, -0.0007491200000000 ] - [ -0.0013237400000000, -0.0009528600000000, -0.0004933200000000 ] - [ -0.0004540300000000, 0.0001323800000000, -0.0002469600000000 ] - [ -0.0013237400000000, -0.0004933200000000, -0.0009528600000000 ] - [ -0.0004540300000000, -0.0002469600000000, 0.0001323800000000 ] - [ 0.0006348600000000, -0.0005959900000000, -0.0005959900000000 ] - [ -0.0008732400000000, 0.0001966100000000, 0.0001966100000000 ] - [ -0.0036984300000000, -0.0133892800000000, 0.0105633300000000 ] - [ 0.0013342300000000, 0.0000728100000000, 0.0018351500000000 ] - [ 0.0004320700000000, -0.0005742000000000, 0.0003680500000000 ] - [ 0.0005800900000000, -0.0001328800000000, -0.0003541000000000 ] - [ -0.0011152000000000, -0.0005511800000000, 0.0007696200000000 ] - [ 0.0019119700000000, 0.0005127300000000, -0.0006931900000000 ] - [ 0.0004320700000000, 0.0003680500000000, -0.0005742000000000 ] - [ 0.0005800900000000, -0.0003541000000000, -0.0001328800000000 ] - [ -0.0036984300000000, 0.0105633300000000, -0.0133892800000000 ] - [ 0.0013342300000000, 0.0018351500000000, 0.0000728100000000 ] - [ -0.0011152000000000, 0.0007696200000000, -0.0005511800000000 ] - [ 0.0019119700000000, -0.0006931900000000, 0.0005127300000000 ] - [ 0.1613010200000000, 0.0115902700000000, 0.0115902700000000 ] - [ -0.0124938000000000, -0.0356852800000000, -0.0001866200000000 ] - [ 0.0106145900000000, 0.0002441000000000, 0.0002441000000000 ] - [ -0.0124938000000000, -0.0001866200000000, -0.0356852800000000 ] - [ 0.0008302600000000, 0.0000235300000000, 0.0000235300000000 ] - [ 0.0002039200000000, 0.0002340900000000, -0.0001238000000000 ] - [ 0.0015302000000000, -0.0000569300000000, -0.0000569300000000 ] - [ 0.0002039200000000, -0.0001238000000000, 0.0002340900000000 ] - [ -0.0013165200000000, 0.0000121500000000, -0.0000561900000000 ] - [ -0.0003638000000000, 0.0002396000000000, -0.0000006300000000 ] - [ -0.0019740200000000, 0.0001290100000000, 0.0000022200000000 ] - [ -0.0012554300000000, 0.0000607500000000, -0.0030928600000000 ] - [ -0.0013165200000000, -0.0000561900000000, 0.0000121500000000 ] - [ -0.0012554300000000, -0.0030928600000000, 0.0000607500000000 ] - [ -0.0019740200000000, 0.0000022200000000, 0.0001290100000000 ] - [ -0.0003638000000000, -0.0000006300000000, 0.0002396000000000 ] - [ -0.0005819900000000, -0.0002640100000000, -0.0002950300000000 ] - [ -0.0010381400000000, -0.0013704800000000, -0.0013704800000000 ] - [ -0.0005819900000000, -0.0002950300000000, -0.0002640100000000 ] - [ -0.0006379100000000, 0.0002078200000000, -0.0002356200000000 ] - [ -0.0004105100000000, -0.0000407700000000, -0.0000407700000000 ] - [ -0.0000576700000000, 0.0001232700000000, 0.0001232700000000 ] - [ -0.0003680500000000, -0.0000309200000000, 0.0000314500000000 ] - [ -0.0006379100000000, -0.0002356200000000, 0.0002078200000000 ] - [ -0.0003680500000000, 0.0000314500000000, -0.0000309200000000 ] - [ -0.0001234300000000, -0.0001934100000000, -0.0001934100000000 ] - [ -0.0020510000000000, 0.0011274100000000, 0.0011091700000000 ] - [ -0.0007477000000000, 0.0012260000000000, 0.0012260000000000 ] - [ -0.0020510000000000, 0.0011091700000000, 0.0011274100000000 ] - [ -0.0018548700000000, -0.0007003600000000, 0.0006915800000000 ] - [ -0.0035798300000000, -0.0002753100000000, -0.0002753100000000 ] - [ -0.0109041400000000, -0.0086101400000000, -0.0086101400000000 ] - [ -0.0037843100000000, 0.0004882300000000, -0.0002261700000000 ] - [ -0.0018548700000000, 0.0006915800000000, -0.0007003600000000 ] - [ -0.0037843100000000, -0.0002261700000000, 0.0004882300000000 ] - [ -0.0109796100000000, 0.0089672600000000, 0.0089672600000000 ] - [ 0.0024619600000000, 0.0031759500000000, 0.0001576700000000 ] - [ -0.0010048700000000, 0.0011122200000000, -0.0010845900000000 ] - [ 0.0006958500000000, 0.0000282200000000, 0.0000631600000000 ] - [ 0.0024051500000000, -0.0032595700000000, 0.0002682900000000 ] - [ 0.0009404300000000, -0.0005301400000000, 0.0002077200000000 ] - [ -0.0005263900000000, -0.0006401700000000, 0.0004779300000000 ] - [ 0.0007741200000000, 0.0000638800000000, 0.0002555500000000 ] - [ 0.0007077500000000, 0.0000885200000000, -0.0001104100000000 ] - [ 0.0010351700000000, -0.0006270900000000, -0.0005040100000000 ] - [ -0.0001672000000000, 0.0003263100000000, -0.0000617300000000 ] - [ 0.0006958500000000, 0.0000631600000000, 0.0000282200000000 ] - [ -0.0010048700000000, -0.0010845900000000, 0.0011122200000000 ] - [ 0.0024619600000000, 0.0001576700000000, 0.0031759500000000 ] - [ 0.0007077500000000, -0.0001104100000000, 0.0000885200000000 ] - [ 0.0009404300000000, 0.0002077200000000, -0.0005301400000000 ] - [ -0.0005263900000000, 0.0004779300000000, -0.0006401700000000 ] - [ 0.0010351700000000, -0.0005040100000000, -0.0006270900000000 ] - [ 0.0024051500000000, 0.0002682900000000, -0.0032595700000000 ] - [ 0.0007741200000000, 0.0002555500000000, 0.0000638800000000 ] - [ -0.0001672000000000, -0.0000617300000000, 0.0003263100000000 ] - [ -0.0436831400000000, 0.0006582100000000, 0.0006582100000000 ] - [ -0.0102431500000000, 0.0018298400000000, 0.0009032400000000 ] - [ -0.0016233800000000, 0.0042847600000000, 0.0042847600000000 ] - [ 0.0033678200000000, -0.0001752800000000, -0.0001752800000000 ] - [ -0.0003121200000000, -0.0046285200000000, 0.0030077200000000 ] - [ -0.0102431500000000, 0.0009032400000000, 0.0018298400000000 ] - [ -0.0008002100000000, -0.0000094400000000, -0.0009225400000000 ] - [ -0.0001827600000000, 0.0000427600000000, 0.0048194100000000 ] - [ -0.0001827600000000, 0.0048194100000000, 0.0000427600000000 ] - [ -0.0014058600000000, 0.0003211100000000, 0.0002645000000000 ] - [ -0.0008002100000000, -0.0009225400000000, -0.0000094400000000 ] - [ -0.0015353200000000, 0.0038129200000000, 0.0038129200000000 ] - [ -0.0255394500000000, 0.0022166800000000, 0.0022166800000000 ] - [ -0.0014058600000000, 0.0002645000000000, 0.0003211100000000 ] - [ -0.0170490600000000, 0.0010142600000000, -0.0004823700000000 ] - [ -0.0170490600000000, -0.0004823700000000, 0.0010142600000000 ] - [ -0.0003121200000000, 0.0030077200000000, -0.0046285200000000 ] - [ 0.0043774500000000, 0.0026495400000000, -0.0000433400000000 ] - [ 0.0007082700000000, 0.0000820500000000, 0.0000820500000000 ] - [ 0.0043774500000000, -0.0000433400000000, 0.0026495400000000 ] - [ 0.0024069300000000, -0.0015978400000000, -0.0015978400000000 ] - [ -0.0020370600000000, -0.0038474200000000, -0.0038474200000000 ] - [ -0.0003935300000000, 0.0000054400000000, 0.0000054400000000 ] - [ -0.0006133700000000, 0.0000094300000000, 0.0000693900000000 ] - [ -0.0004349100000000, -0.0003869500000000, -0.0003869500000000 ] - [ 0.0004339100000000, 0.0000274000000000, 0.0000274000000000 ] - [ -0.0003204600000000, 0.0005566400000000, -0.0006574300000000 ] - [ -0.0006133700000000, 0.0000693900000000, 0.0000094300000000 ] - [ -0.0003247500000000, 0.0002432100000000, 0.0003471300000000 ] - [ -0.0002346300000000, 0.0002769100000000, -0.0003669100000000 ] - [ -0.0002346300000000, -0.0003669100000000, 0.0002769100000000 ] - [ -0.0018645400000000, 0.0002068500000000, -0.0001042900000000 ] - [ -0.0003247500000000, 0.0003471300000000, 0.0002432100000000 ] - [ -0.0005677100000000, -0.0005696100000000, -0.0005696100000000 ] - [ -0.0002801900000000, -0.0000437800000000, -0.0000437800000000 ] - [ -0.0018645400000000, -0.0001042900000000, 0.0002068500000000 ] - [ -0.0006059300000000, -0.0000170500000000, 0.0000809700000000 ] - [ -0.0006059300000000, 0.0000809700000000, -0.0000170500000000 ] - [ -0.0003204600000000, -0.0006574300000000, 0.0005566400000000 ] - [ 0.0003440700000000, -0.0001662300000000, 0.0000962300000000 ] - [ 0.0020651800000000, 0.0000452700000000, 0.0000452700000000 ] - [ 0.0003440700000000, 0.0000962300000000, -0.0001662300000000 ] - [ 0.0005133400000000, 0.0003017100000000, 0.0003017100000000 ] - [ -0.0006454300000000, 0.0007170100000000, 0.0007170100000000 ] - [ 0.0009062700000000, -0.0000287200000000, 0.0002328600000000 ] - [ 0.0007577900000000, -0.0000024300000000, 0.0000690400000000 ] - [ 0.0011753400000000, -0.0004334400000000, 0.0008617400000000 ] - [ -0.0011189200000000, 0.0000445200000000, 0.0003519500000000 ] - [ 0.0006375700000000, 0.0004268700000000, 0.0007965200000000 ] - [ 0.0018645400000000, 0.0001693300000000, -0.0001515500000000 ] - [ 0.0045042900000000, 0.0004893600000000, -0.0041602900000000 ] - [ 0.0047761000000000, -0.0004366300000000, 0.0042979400000000 ] - [ 0.0002006400000000, -0.0002046900000000, -0.0000402900000000 ] - [ 0.0006483400000000, -0.0000405500000000, 0.0000341200000000 ] - [ 0.0002225200000000, 0.0001670600000000, 0.0001097000000000 ] - [ 0.0009129400000000, -0.0003620700000000, 0.0006375700000000 ] - [ 0.0006211900000000, -0.0000841900000000, 0.0005930500000000 ] - [ 0.0024182400000000, -0.0000868900000000, 0.0002707800000000 ] - [ 0.0008007900000000, -0.0000341800000000, 0.0000617800000000 ] - [ 0.0016537300000000, -0.0001671500000000, 0.0001788800000000 ] - [ 0.0005429400000000, -0.0004101500000000, -0.0007758000000000 ] - [ -0.0004171100000000, -0.0001698900000000, 0.0000327700000000 ] - [ -0.0017802400000000, 0.0001848500000000, -0.0001596100000000 ] - [ -0.0008962200000000, 0.0002846700000000, 0.0013121800000000 ] - [ -0.0007623900000000, 0.0000747800000000, -0.0019852100000000 ] - [ 0.0010239200000000, 0.0004523600000000, -0.0008990200000000 ] - [ 0.0009062700000000, 0.0002328600000000, -0.0000287200000000 ] - [ 0.0018645400000000, -0.0001515500000000, 0.0001693300000000 ] - [ 0.0011753400000000, 0.0008617400000000, -0.0004334400000000 ] - [ -0.0011189200000000, 0.0003519500000000, 0.0000445200000000 ] - [ 0.0005429400000000, -0.0007758000000000, -0.0004101500000000 ] - [ 0.0007577900000000, 0.0000690400000000, -0.0000024300000000 ] - [ 0.0002225200000000, 0.0001097000000000, 0.0001670600000000 ] - [ 0.0002006400000000, -0.0000402900000000, -0.0002046900000000 ] - [ 0.0047761000000000, 0.0042979400000000, -0.0004366300000000 ] - [ 0.0024182400000000, 0.0002707800000000, -0.0000868900000000 ] - [ 0.0045042900000000, -0.0041602900000000, 0.0004893600000000 ] - [ 0.0009129400000000, 0.0006375700000000, -0.0003620700000000 ] - [ 0.0006211900000000, 0.0005930500000000, -0.0000841900000000 ] - [ 0.0006483400000000, 0.0000341200000000, -0.0000405500000000 ] - [ 0.0016537300000000, 0.0001788800000000, -0.0001671500000000 ] - [ 0.0008007900000000, 0.0000617800000000, -0.0000341800000000 ] - [ 0.0006375700000000, 0.0007965200000000, 0.0004268700000000 ] - [ -0.0008962200000000, 0.0013121800000000, 0.0002846700000000 ] - [ -0.0017802400000000, -0.0001596100000000, 0.0001848500000000 ] - [ -0.0004171100000000, 0.0000327700000000, -0.0001698900000000 ] - [ -0.0007623900000000, -0.0019852100000000, 0.0000747800000000 ] - [ 0.0010239200000000, -0.0008990200000000, 0.0004523600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0097516300000000, -0.0043093200000000, -0.0026027500000000 ] - [ -0.0000175300000000, -0.0003789000000000, -0.0003297900000000 ] - [ 0.0019615100000000, 0.0006274500000000, -0.0021825900000000 ] - [ -0.0000614000000000, -0.0000903100000000, -0.0000060800000000 ] - [ 0.0012841400000000, -0.0000565800000000, -0.0001261400000000 ] - [ -0.0047362900000000, -0.0022316500000000, -0.0011773000000000 ] - [ 0.0000437600000000, 0.0000536400000000, -0.0000113400000000 ] - [ 0.0001355100000000, 0.0009847900000000, 0.0010185000000000 ] - [ 0.0002559800000000, -0.0005369900000000, 0.0003196300000000 ] - [ 0.0001570500000000, 0.0004885000000000, 0.0002654700000000 ] - [ 0.0005201100000000, -0.0000148000000000, 0.0000541900000000 ] - [ -0.0008051000000000, -0.0003248000000000, 0.0001599800000000 ] - [ -0.0000487900000000, 0.0001025300000000, -0.0000193800000000 ] - [ -0.0000152500000000, 0.0004353000000000, -0.0003588200000000 ] - [ 0.0019576800000000, -0.0006265600000000, -0.0021645900000000 ] - [ 0.0096684700000000, 0.0042403300000000, -0.0025550400000000 ] - [ -0.0047605300000000, 0.0022257500000000, -0.0011915400000000 ] - [ 0.0012905600000000, 0.0000529900000000, -0.0001381700000000 ] - [ 0.0001447800000000, -0.0004581000000000, 0.0002530400000000 ] - [ 0.0001297900000000, -0.0009439200000000, 0.0010004800000000 ] - [ 0.0002350300000000, 0.0005003300000000, 0.0003548000000000 ] - [ 0.0000270700000000, -0.0000882100000000, 0.0000065400000000 ] - [ -0.0008344600000000, 0.0003289000000000, 0.0001202200000000 ] - [ 0.0005296700000000, -0.0000063600000000, 0.0000133900000000 ] - [ 0.0006022000000000, 0.0002135300000000, 0.0003153500000000 ] - [ 0.0003521200000000, 0.0000242300000000, -0.0000212100000000 ] - [ 0.0003846200000000, -0.0000685100000000, -0.0000496700000000 ] - [ 0.0005582900000000, -0.0001825000000000, 0.0002796400000000 ] - [ 0.0020719800000000, -0.0003162500000000, -0.0000047100000000 ] - [ 0.0037731100000000, 0.0005173200000000, 0.0000699000000000 ] - [ 0.0037913400000000, -0.0005513200000000, 0.0000462300000000 ] - [ 0.0020282400000000, 0.0003353800000000, -0.0000565400000000 ] - [ -0.0024415800000000, -0.0089706700000000, -0.0001341000000000 ] - [ -0.0010409400000000, 0.0002714900000000, -0.0004871900000000 ] - [ -0.0010052200000000, -0.0002826100000000, -0.0005180400000000 ] - [ -0.0024468200000000, 0.0090335200000000, -0.0001434200000000 ] - [ -0.0006838700000000, 0.0000718600000000, -0.0010939600000000 ] - [ -0.0007770200000000, -0.0002084400000000, 0.0005035000000000 ] - [ -0.0007582100000000, 0.0001777400000000, 0.0004707700000000 ] - [ -0.0007148700000000, -0.0000425400000000, -0.0011226300000000 ] - [ -0.1090321600000000, 0.0003072800000000, -0.0135038500000000 ] - [ 0.0053211600000000, -0.0030792000000000, 0.0085334700000000 ] - [ -0.0069063900000000, 0.0033980900000000, -0.0032571700000000 ] - [ 0.0053572200000000, 0.0030531600000000, 0.0086184200000000 ] - [ 0.0047484000000000, 0.0083080300000000, 0.0034135100000000 ] - [ -0.0001069700000000, -0.0012839100000000, -0.0002187900000000 ] - [ -0.0069070500000000, -0.0034218500000000, -0.0032503500000000 ] - [ -0.0000873100000000, 0.0013044900000000, -0.0002419400000000 ] - [ -0.0013416300000000, 0.0000090700000000, 0.0000032300000000 ] - [ 0.0047091400000000, -0.0082452900000000, 0.0034061800000000 ] - [ -0.0004066500000000, -0.0000160400000000, 0.0000183800000000 ] - [ -0.0001830000000000, -0.0002065300000000, -0.0000920800000000 ] - [ -0.0006808200000000, -0.0003368000000000, 0.0003214700000000 ] - [ -0.0001638200000000, 0.0001832700000000, -0.0000699600000000 ] - [ -0.0001775200000000, -0.0000313300000000, 0.0002022400000000 ] - [ -0.0002126700000000, 0.0003577300000000, 0.0011725700000000 ] - [ -0.0006804700000000, 0.0003386900000000, 0.0003519400000000 ] - [ -0.0001945900000000, -0.0003411500000000, 0.0011520800000000 ] - [ -0.0003730500000000, 0.0000126800000000, 0.0003249500000000 ] - [ -0.0002026000000000, 0.0000333000000000, 0.0001960500000000 ] - [ 0.0005062300000000, -0.0000120000000000, 0.0000665500000000 ] - [ 0.0006077800000000, 0.0003924400000000, 0.0006782700000000 ] - [ 0.0006189700000000, 0.0001995900000000, 0.0000583600000000 ] - [ 0.0006297700000000, -0.0004179200000000, 0.0006982100000000 ] - [ 0.0002797300000000, -0.0000322100000000, -0.0000447700000000 ] - [ 0.0002417000000000, 0.0001652700000000, -0.0001537200000000 ] - [ 0.0006175700000000, -0.0001995500000000, 0.0000823900000000 ] - [ 0.0002626400000000, -0.0001481900000000, -0.0001740900000000 ] - [ 0.0003114100000000, 0.0000116800000000, 0.0000030700000000 ] - [ 0.0002547000000000, 0.0000317700000000, -0.0000495700000000 ] - [ 0.0004824100000000, -0.0000134700000000, 0.0000204700000000 ] - [ 0.0002238500000000, 0.0000999400000000, -0.0000479700000000 ] - [ 0.0006190200000000, -0.0000466000000000, -0.0002157700000000 ] - [ 0.0002471500000000, -0.0001235600000000, -0.0000286700000000 ] - [ 0.0005790600000000, 0.0005565900000000, -0.0003348200000000 ] - [ 0.0011210100000000, -0.0004887300000000, 0.0002944600000000 ] - [ 0.0006166900000000, 0.0000447600000000, -0.0001870400000000 ] - [ 0.0011446500000000, 0.0005068700000000, 0.0002709600000000 ] - [ 0.0013333800000000, 0.0000116200000000, -0.0003201000000000 ] - [ 0.0005496200000000, -0.0005597000000000, -0.0003388900000000 ] - [ -0.0001646300000000, -0.0002761000000000, -0.0004002600000000 ] - [ -0.0005944400000000, -0.0000552400000000, -0.0003136000000000 ] - [ -0.0002889600000000, 0.0000917200000000, -0.0000440800000000 ] - [ 0.0004014500000000, 0.0000236000000000, -0.0001754400000000 ] - [ -0.0005890400000000, 0.0000804400000000, -0.0003117200000000 ] - [ -0.0007125200000000, -0.0003089800000000, -0.0001953300000000 ] - [ -0.0010767100000000, 0.0004584000000000, 0.0002739500000000 ] - [ -0.0006854900000000, 0.0002820200000000, -0.0002351600000000 ] - [ -0.0002491200000000, -0.0000759300000000, 0.0000644500000000 ] - [ -0.0002757200000000, 0.0000594900000000, 0.0000875500000000 ] - [ -0.0006171200000000, 0.0000649500000000, 0.0001641700000000 ] - [ -0.0014981600000000, -0.0004777700000000, -0.0018362600000000 ] - [ -0.0003820900000000, 0.0000117600000000, -0.0000964900000000 ] - [ -0.0003346300000000, 0.0000267000000000, 0.0000567500000000 ] - [ -0.0003171500000000, -0.0000659200000000, -0.0000711300000000 ] - [ -0.0004107200000000, -0.0000419900000000, -0.0000719200000000 ] - [ -0.0003077000000000, -0.0000020200000000, 0.0000986200000000 ] - [ -0.0000694200000000, -0.0000009900000000, 0.0000307700000000 ] - [ 0.0204460800000000, 0.0106786900000000, -0.0144992700000000 ] - [ -0.0001923000000000, 0.0002568700000000, -0.0003822600000000 ] - [ -0.0001112600000000, 0.0007853300000000, 0.0017910200000000 ] - [ -0.0000472300000000, 0.0000274700000000, 0.0000560600000000 ] - [ -0.0019162500000000, 0.0020888300000000, 0.0004216700000000 ] - [ -0.0005183300000000, 0.0003054200000000, -0.0000211300000000 ] - [ -0.0021122900000000, -0.0002140500000000, 0.0002714000000000 ] - [ 0.0026041500000000, -0.0005879300000000, -0.0017561700000000 ] - [ -0.0004945900000000, -0.0002684800000000, 0.0000014900000000 ] - [ -0.0007467700000000, 0.0001971500000000, 0.0001970200000000 ] - [ -0.0003916700000000, -0.0000896300000000, -0.0000288100000000 ] - [ -0.0007224200000000, -0.0002184400000000, 0.0001870300000000 ] - [ -0.0016132200000000, 0.0002058300000000, -0.0003468900000000 ] - [ -0.0016324300000000, -0.0002429400000000, -0.0003223500000000 ] - [ -0.0005787500000000, 0.0001928200000000, -0.0000531000000000 ] - [ -0.0001764600000000, 0.0003896600000000, 0.0002477800000000 ] - [ -0.0012986600000000, -0.0004643100000000, -0.0001158600000000 ] - [ -0.0008767200000000, 0.0002148400000000, -0.0004806400000000 ] - [ -0.0021511100000000, 0.0002423500000000, 0.0002315600000000 ] - [ -0.0013242800000000, 0.0004294100000000, -0.0000883600000000 ] - [ -0.0008654900000000, -0.0002033300000000, -0.0004540300000000 ] - [ -0.0038729400000000, -0.0018879800000000, -0.0020434600000000 ] - [ 0.0002302500000000, 0.0002096500000000, -0.0002181000000000 ] - [ -0.0019457900000000, -0.0020993000000000, 0.0004356600000000 ] - [ -0.0000002400000000, -0.0001197900000000, -0.0001271200000000 ] - [ -0.0038451000000000, 0.0019006200000000, -0.0020066500000000 ] - [ -0.0010201800000000, 0.0014316000000000, -0.0002530800000000 ] - [ 0.0245752100000000, -0.0199767300000000, 0.0191753200000000 ] - [ 0.0009141400000000, -0.0018079300000000, 0.0001818900000000 ] - [ -0.0010693500000000, -0.0004634600000000, 0.0002784800000000 ] - [ 0.0242449200000000, 0.0191084700000000, 0.0183504800000000 ] - [ 0.0006802800000000, 0.0011284800000000, -0.0016066700000000 ] - [ 0.0004073900000000, -0.0000168700000000, -0.0001775400000000 ] - [ 0.0007075700000000, -0.0011628300000000, -0.0016459500000000 ] - [ 0.0007116000000000, 0.0001736000000000, -0.0000914400000000 ] - [ 0.0007081000000000, -0.0002047900000000, -0.0000855700000000 ] - [ 0.0200142100000000, -0.0100601100000000, -0.0136876000000000 ] - [ -0.0014726100000000, 0.0004695100000000, -0.0018288000000000 ] - [ 0.0027540000000000, -0.0011887600000000, 0.0016606500000000 ] - [ 0.0004392300000000, -0.0001004700000000, 0.0001742900000000 ] - [ 0.0008845100000000, 0.0018347500000000, 0.0001566300000000 ] - [ 0.0027258800000000, 0.0011463600000000, 0.0016926300000000 ] - [ 0.0004703200000000, 0.0001334000000000, 0.0002061500000000 ] - [ 0.0000480900000000, -0.0001193900000000, 0.0001727000000000 ] - [ -0.0006020700000000, -0.0000740200000000, 0.0001472400000000 ] - [ -0.0010626500000000, -0.0014645300000000, -0.0002208900000000 ] - [ -0.0001131800000000, -0.0007858900000000, 0.0017845700000000 ] - [ 0.0000869000000000, 0.0001480100000000, 0.0002004000000000 ] - [ -0.0000327400000000, -0.0002712300000000, 0.0003825200000000 ] - [ 0.0002641500000000, -0.0002211000000000, 0.0001526900000000 ] - [ 0.0007119300000000, -0.0001626700000000, 0.0001411900000000 ] - [ -0.0003773800000000, 0.0001041100000000, -0.0000146300000000 ] - [ 0.0002899700000000, 0.0002467700000000, 0.0001809200000000 ] - [ 0.0005886600000000, -0.0020742400000000, 0.0020018300000000 ] - [ 0.0025899500000000, 0.0005940800000000, -0.0017696500000000 ] - [ 0.0006030000000000, 0.0020613300000000, 0.0019673300000000 ] - [ 0.0005502700000000, 0.0000152100000000, -0.0003577300000000 ] - [ 0.0005216100000000, -0.0000515800000000, -0.0003258300000000 ] - [ 0.0002266100000000, -0.0002103800000000, -0.0002039900000000 ] - [ -0.0001810100000000, -0.0003969700000000, 0.0002675400000000 ] - [ 0.0006229200000000, 0.0001538000000000, 0.0001772600000000 ] - [ 0.0029073200000000, -0.0020869000000000, -0.0006283900000000 ] - [ 0.0006796000000000, 0.0001927300000000, 0.0001052700000000 ] - [ 0.0005913100000000, -0.0001894700000000, 0.0002095200000000 ] - [ 0.0029281400000000, 0.0021154300000000, -0.0006096400000000 ] - [ 0.0000844200000000, 0.0001611900000000, -0.0002668700000000 ] - [ -0.0005768600000000, -0.0001911200000000, -0.0000551300000000 ] - [ -0.0000517100000000, 0.0002494600000000, 0.0004069700000000 ] - [ -0.0000018900000000, 0.0001195000000000, -0.0001272300000000 ] - [ 0.0001220800000000, -0.0001478200000000, -0.0002535300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037539800000000, -0.0029574700000000, 0.0029967300000000 ] - [ -0.0005421300000000, 0.0002198500000000, 0.0005421300000000 ] - [ 0.0018966300000000, 0.0000299500000000, -0.0018966300000000 ] - [ -0.0001838800000000, -0.0004596900000000, -0.0002268000000000 ] - [ 0.0002268000000000, -0.0004596900000000, 0.0001838800000000 ] - [ -0.0029967300000000, -0.0029574700000000, 0.0037539800000000 ] - [ 0.0000118000000000, 0.0004125400000000, -0.0000125000000000 ] - [ 0.0006741300000000, -0.0003994000000000, 0.0006741300000000 ] - [ -0.0003668400000000, 0.0008428500000000, -0.0003668400000000 ] - [ 0.0005332100000000, 0.0014486900000000, 0.0001038600000000 ] - [ -0.0000125000000000, 0.0004125400000000, 0.0000118000000000 ] - [ 0.0001038600000000, 0.0014486900000000, 0.0005332100000000 ] - [ 0.0001838800000000, -0.0004596900000000, 0.0002268000000000 ] - [ 0.0005421300000000, 0.0002198500000000, -0.0005421300000000 ] - [ -0.0018966300000000, 0.0000299500000000, 0.0018966300000000 ] - [ 0.0037539800000000, -0.0029574700000000, -0.0029967300000000 ] - [ 0.0029967300000000, -0.0029574700000000, -0.0037539800000000 ] - [ -0.0002268000000000, -0.0004596900000000, -0.0001838800000000 ] - [ -0.0005332100000000, 0.0014486900000000, -0.0001038600000000 ] - [ -0.0006741300000000, -0.0003994000000000, -0.0006741300000000 ] - [ 0.0003668400000000, 0.0008428500000000, 0.0003668400000000 ] - [ -0.0000118000000000, 0.0004125400000000, 0.0000125000000000 ] - [ -0.0001038600000000, 0.0014486900000000, -0.0005332100000000 ] - [ 0.0000125000000000, 0.0004125400000000, -0.0000118000000000 ] - [ 0.0002705900000000, 0.0001310700000000, 0.0002705900000000 ] - [ -0.0000446200000000, 0.0004055700000000, 0.0000446200000000 ] - [ 0.0000446200000000, 0.0004055700000000, -0.0000446200000000 ] - [ -0.0002705900000000, 0.0001310700000000, -0.0002705900000000 ] - [ -0.0011205000000000, 0.0001775300000000, -0.0000482600000000 ] - [ 0.0002162200000000, -0.0009552200000000, 0.0002607500000000 ] - [ -0.0002162200000000, -0.0009552200000000, -0.0002607500000000 ] - [ 0.0011205000000000, 0.0001775300000000, 0.0000482600000000 ] - [ -0.0031594100000000, 0.0110287100000000, -0.0031594100000000 ] - [ 0.0006169700000000, 0.0035677900000000, -0.0006169700000000 ] - [ -0.0006169700000000, 0.0035677900000000, 0.0006169700000000 ] - [ 0.0031594100000000, 0.0110287100000000, 0.0031594100000000 ] - [ -0.0000482600000000, 0.0001775300000000, -0.0011205000000000 ] - [ -0.0002607500000000, -0.0009552200000000, -0.0002162200000000 ] - [ 0.0002607500000000, -0.0009552200000000, 0.0002162200000000 ] - [ 0.0000482600000000, 0.0001775300000000, 0.0011205000000000 ] - [ 0.0000000000000000, -0.0873483500000000, 0.0000000000000000 ] - [ 0.0030204600000000, -0.0063236700000000, 0.0030204600000000 ] - [ -0.0032556800000000, 0.0047339400000000, -0.0074954200000000 ] - [ -0.0030204600000000, -0.0063236700000000, -0.0030204600000000 ] - [ 0.0074954200000000, 0.0047339400000000, 0.0032556800000000 ] - [ -0.0003393100000000, 0.0013100800000000, 0.0003393100000000 ] - [ 0.0032556800000000, 0.0047339400000000, 0.0074954200000000 ] - [ 0.0003393100000000, 0.0013100800000000, -0.0003393100000000 ] - [ 0.0000000000000000, 0.0027481200000000, 0.0000000000000000 ] - [ -0.0074954200000000, 0.0047339400000000, -0.0032556800000000 ] - [ 0.0000000000000000, 0.0004647600000000, 0.0000000000000000 ] - [ 0.0001397300000000, 0.0005662200000000, -0.0000180000000000 ] - [ 0.0003382400000000, 0.0005648800000000, -0.0005944000000000 ] - [ -0.0001397300000000, 0.0005662200000000, 0.0000180000000000 ] - [ -0.0000504000000000, 0.0002665600000000, -0.0000688900000000 ] - [ 0.0001479500000000, -0.0000211900000000, 0.0010784500000000 ] - [ -0.0003382400000000, 0.0005648800000000, 0.0005944000000000 ] - [ -0.0001479500000000, -0.0000211900000000, -0.0010784500000000 ] - [ 0.0000000000000000, -0.0000741300000000, 0.0000000000000000 ] - [ 0.0000504000000000, 0.0002665600000000, 0.0000688900000000 ] - [ 0.0000000000000000, -0.0004960900000000, 0.0000000000000000 ] - [ -0.0004143900000000, -0.0008274600000000, -0.0004143900000000 ] - [ -0.0002012200000000, -0.0001890300000000, 0.0000532300000000 ] - [ 0.0004143900000000, -0.0008274600000000, 0.0004143900000000 ] - [ -0.0000532300000000, -0.0001890300000000, 0.0002012200000000 ] - [ 0.0001338100000000, 0.0003083500000000, -0.0001338100000000 ] - [ 0.0002012200000000, -0.0001890300000000, -0.0000532300000000 ] - [ -0.0001338100000000, 0.0003083500000000, 0.0001338100000000 ] - [ 0.0000000000000000, 0.0001353500000000, 0.0000000000000000 ] - [ 0.0000532300000000, -0.0001890300000000, -0.0002012200000000 ] - [ 0.0000000000000000, 0.0004647600000000, 0.0000000000000000 ] - [ -0.0000180000000000, 0.0005662200000000, 0.0001397300000000 ] - [ 0.0000688900000000, 0.0002665600000000, 0.0000504000000000 ] - [ 0.0000180000000000, 0.0005662200000000, -0.0001397300000000 ] - [ 0.0005944000000000, 0.0005648800000000, -0.0003382400000000 ] - [ -0.0010784500000000, -0.0000211900000000, -0.0001479500000000 ] - [ -0.0000688900000000, 0.0002665600000000, -0.0000504000000000 ] - [ 0.0010784500000000, -0.0000211900000000, 0.0001479500000000 ] - [ 0.0000000000000000, -0.0000741300000000, 0.0000000000000000 ] - [ -0.0005944000000000, 0.0005648800000000, 0.0003382400000000 ] - [ -0.0002333300000000, -0.0001472600000000, -0.0003496300000000 ] - [ -0.0002886400000000, 0.0002797700000000, -0.0002886400000000 ] - [ 0.0000631400000000, -0.0002454900000000, 0.0000631400000000 ] - [ 0.0001754500000000, -0.0000839600000000, -0.0002128600000000 ] - [ 0.0002886400000000, 0.0002797700000000, 0.0002886400000000 ] - [ -0.0003496300000000, -0.0001472600000000, -0.0002333300000000 ] - [ 0.0002128600000000, -0.0000839600000000, -0.0001754500000000 ] - [ 0.0003496300000000, -0.0001472600000000, 0.0002333300000000 ] - [ -0.0000483500000000, -0.0003653000000000, 0.0000483500000000 ] - [ 0.0000483500000000, -0.0003653000000000, -0.0000483500000000 ] - [ -0.0002509500000000, 0.0003638400000000, 0.0002509500000000 ] - [ -0.0017223400000000, 0.0005440000000000, -0.0017223400000000 ] - [ -0.0000110000000000, -0.0001096900000000, 0.0000110000000000 ] - [ -0.0000003300000000, -0.0003719900000000, 0.0000566500000000 ] - [ -0.0000631400000000, -0.0002454900000000, -0.0000631400000000 ] - [ 0.0000110000000000, -0.0001096900000000, -0.0000110000000000 ] - [ 0.0000003300000000, -0.0003719900000000, -0.0000566500000000 ] - [ 0.0000566500000000, -0.0003719900000000, -0.0000003300000000 ] - [ 0.0096855500000000, 0.0137342700000000, -0.0096855500000000 ] - [ 0.0002333300000000, -0.0001472600000000, 0.0003496300000000 ] - [ 0.0000842200000000, 0.0013169400000000, -0.0000842200000000 ] - [ -0.0000566500000000, -0.0003719900000000, 0.0000003300000000 ] - [ 0.0017718400000000, -0.0016476000000000, -0.0004218100000000 ] - [ 0.0001956500000000, -0.0005816500000000, -0.0000230900000000 ] - [ -0.0001964500000000, 0.0005885700000000, -0.0001064900000000 ] - [ -0.0013677200000000, -0.0026197100000000, -0.0013677200000000 ] - [ -0.0001956500000000, -0.0005816500000000, 0.0000230900000000 ] - [ 0.0004548900000000, -0.0002822100000000, -0.0001641400000000 ] - [ -0.0000267800000000, -0.0000333200000000, -0.0000267800000000 ] - [ -0.0004548900000000, -0.0002822100000000, 0.0001641400000000 ] - [ 0.0003526500000000, 0.0006492900000000, 0.0000052200000000 ] - [ -0.0003526500000000, 0.0006492900000000, -0.0000052200000000 ] - [ 0.0002039800000000, -0.0006123400000000, 0.0000142200000000 ] - [ 0.0002135900000000, -0.0007309300000000, -0.0002135900000000 ] - [ 0.0000712500000000, 0.0001512600000000, -0.0001687400000000 ] - [ -0.0000683600000000, 0.0005232300000000, 0.0001457800000000 ] - [ 0.0001964500000000, 0.0005885700000000, 0.0001064900000000 ] - [ -0.0000712500000000, 0.0001512600000000, 0.0001687400000000 ] - [ 0.0000683600000000, 0.0005232300000000, -0.0001457800000000 ] - [ -0.0003555700000000, 0.0029377200000000, -0.0019067200000000 ] - [ 0.0000142200000000, -0.0006123400000000, 0.0002039800000000 ] - [ -0.0017718400000000, -0.0016476000000000, 0.0004218100000000 ] - [ -0.0002405100000000, -0.0006113800000000, -0.0002405100000000 ] - [ 0.0003555700000000, 0.0029377200000000, 0.0019067200000000 ] - [ 0.0021701500000000, -0.0009564900000000, -0.0000466500000000 ] - [ -0.0188022100000000, 0.0235909800000000, -0.0188022100000000 ] - [ -0.0001892200000000, -0.0025052800000000, -0.0001892200000000 ] - [ -0.0002128600000000, -0.0000839600000000, 0.0001754500000000 ] - [ 0.0188022100000000, 0.0235909800000000, 0.0188022100000000 ] - [ -0.0000466500000000, -0.0009564900000000, 0.0021701500000000 ] - [ -0.0001754500000000, -0.0000839600000000, 0.0002128600000000 ] - [ 0.0000466500000000, -0.0009564900000000, -0.0021701500000000 ] - [ 0.0002612200000000, -0.0022481900000000, -0.0002612200000000 ] - [ -0.0002612200000000, -0.0022481900000000, 0.0002612200000000 ] - [ -0.0096855500000000, 0.0137342700000000, 0.0096855500000000 ] - [ 0.0017223400000000, 0.0005440000000000, 0.0017223400000000 ] - [ -0.0015295800000000, -0.0043153300000000, 0.0015295800000000 ] - [ 0.0001636700000000, -0.0008788300000000, -0.0005344800000000 ] - [ 0.0001892200000000, -0.0025052800000000, 0.0001892200000000 ] - [ 0.0015295800000000, -0.0043153300000000, -0.0015295800000000 ] - [ -0.0001636700000000, -0.0008788300000000, 0.0005344800000000 ] - [ -0.0005344800000000, -0.0008788300000000, 0.0001636700000000 ] - [ 0.0002509500000000, 0.0003638400000000, -0.0002509500000000 ] - [ -0.0021701500000000, -0.0009564900000000, 0.0000466500000000 ] - [ -0.0000842200000000, 0.0013169400000000, 0.0000842200000000 ] - [ 0.0005344800000000, -0.0008788300000000, -0.0001636700000000 ] - [ -0.0001641400000000, -0.0002822100000000, 0.0004548900000000 ] - [ -0.0000230900000000, -0.0005816500000000, 0.0001956500000000 ] - [ -0.0001064900000000, 0.0005885700000000, -0.0001964500000000 ] - [ 0.0000267800000000, -0.0000333200000000, 0.0000267800000000 ] - [ 0.0000230900000000, -0.0005816500000000, -0.0001956500000000 ] - [ -0.0004218100000000, -0.0016476000000000, 0.0017718400000000 ] - [ 0.0013677200000000, -0.0026197100000000, 0.0013677200000000 ] - [ 0.0004218100000000, -0.0016476000000000, -0.0017718400000000 ] - [ -0.0000052200000000, 0.0006492900000000, -0.0003526500000000 ] - [ 0.0000052200000000, 0.0006492900000000, 0.0003526500000000 ] - [ -0.0000142200000000, -0.0006123400000000, -0.0002039800000000 ] - [ -0.0002135900000000, -0.0007309300000000, 0.0002135900000000 ] - [ 0.0001687400000000, 0.0001512600000000, -0.0000712500000000 ] - [ -0.0019067200000000, 0.0029377200000000, -0.0003555700000000 ] - [ 0.0001064900000000, 0.0005885700000000, 0.0001964500000000 ] - [ -0.0001687400000000, 0.0001512600000000, 0.0000712500000000 ] - [ 0.0019067200000000, 0.0029377200000000, 0.0003555700000000 ] - [ 0.0001457800000000, 0.0005232300000000, -0.0000683600000000 ] - [ -0.0002039800000000, -0.0006123400000000, -0.0000142200000000 ] - [ 0.0001641400000000, -0.0002822100000000, -0.0004548900000000 ] - [ 0.0002405100000000, -0.0006113800000000, 0.0002405100000000 ] - [ -0.0001457800000000, 0.0005232300000000, 0.0000683600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037624200000000, 0.0029703200000000, -0.0030006600000000 ] - [ 0.0005477100000000, -0.0002307100000000, -0.0005477100000000 ] - [ -0.0019082300000000, 0.0000116200000000, 0.0019082300000000 ] - [ 0.0001813600000000, 0.0004516300000000, 0.0002201800000000 ] - [ -0.0002201800000000, 0.0004516300000000, -0.0001813600000000 ] - [ 0.0030006600000000, 0.0029703200000000, -0.0037624200000000 ] - [ -0.0000155300000000, -0.0004044700000000, 0.0000406400000000 ] - [ -0.0006713200000000, 0.0003829900000000, -0.0006713200000000 ] - [ 0.0003681100000000, -0.0008578500000000, 0.0003681100000000 ] - [ -0.0005103600000000, -0.0014497700000000, -0.0001226500000000 ] - [ 0.0000406400000000, -0.0004044700000000, -0.0000155300000000 ] - [ -0.0001226500000000, -0.0014497700000000, -0.0005103600000000 ] - [ -0.0001813600000000, 0.0004516300000000, -0.0002201800000000 ] - [ -0.0005477100000000, -0.0002307100000000, 0.0005477100000000 ] - [ 0.0019082300000000, 0.0000116200000000, -0.0019082300000000 ] - [ -0.0037624200000000, 0.0029703200000000, 0.0030006600000000 ] - [ -0.0030006600000000, 0.0029703200000000, 0.0037624200000000 ] - [ 0.0002201800000000, 0.0004516300000000, 0.0001813600000000 ] - [ 0.0005103600000000, -0.0014497700000000, 0.0001226500000000 ] - [ 0.0006713200000000, 0.0003829900000000, 0.0006713200000000 ] - [ -0.0003681100000000, -0.0008578500000000, -0.0003681100000000 ] - [ 0.0000155300000000, -0.0004044700000000, -0.0000406400000000 ] - [ 0.0001226500000000, -0.0014497700000000, 0.0005103600000000 ] - [ -0.0000406400000000, -0.0004044700000000, 0.0000155300000000 ] - [ -0.0002116100000000, -0.0000824600000000, -0.0002116100000000 ] - [ -0.0000141500000000, -0.0004567100000000, 0.0000141500000000 ] - [ 0.0000141500000000, -0.0004567100000000, -0.0000141500000000 ] - [ 0.0002116100000000, -0.0000824600000000, 0.0002116100000000 ] - [ 0.0011646900000000, -0.0001262700000000, 0.0001028800000000 ] - [ -0.0002623500000000, 0.0008917100000000, -0.0002107700000000 ] - [ 0.0002623500000000, 0.0008917100000000, 0.0002107700000000 ] - [ -0.0011646900000000, -0.0001262700000000, -0.0001028800000000 ] - [ 0.0032529300000000, -0.0110192800000000, 0.0032529300000000 ] - [ -0.0006673800000000, -0.0036251700000000, 0.0006673800000000 ] - [ 0.0006673800000000, -0.0036251700000000, -0.0006673800000000 ] - [ -0.0032529300000000, -0.0110192800000000, -0.0032529300000000 ] - [ 0.0001028800000000, -0.0001262700000000, 0.0011646900000000 ] - [ 0.0002107700000000, 0.0008917100000000, 0.0002623500000000 ] - [ -0.0002107700000000, 0.0008917100000000, -0.0002623500000000 ] - [ -0.0001028800000000, -0.0001262700000000, -0.0011646900000000 ] - [ 0.0000000000000000, 0.0881312900000000, 0.0000000000000000 ] - [ -0.0030159500000000, 0.0062971700000000, -0.0030159500000000 ] - [ 0.0032517000000000, -0.0047290700000000, 0.0074038100000000 ] - [ 0.0030159500000000, 0.0062971700000000, 0.0030159500000000 ] - [ -0.0074038100000000, -0.0047290700000000, -0.0032517000000000 ] - [ 0.0003173200000000, -0.0012938500000000, -0.0003173200000000 ] - [ -0.0032517000000000, -0.0047290700000000, -0.0074038100000000 ] - [ -0.0003173200000000, -0.0012938500000000, 0.0003173200000000 ] - [ 0.0000000000000000, -0.0027014200000000, 0.0000000000000000 ] - [ 0.0074038100000000, -0.0047290700000000, 0.0032517000000000 ] - [ 0.0000000000000000, -0.0005088900000000, 0.0000000000000000 ] - [ -0.0001605300000000, -0.0005892200000000, 0.0000010500000000 ] - [ -0.0003399000000000, -0.0005654900000000, 0.0005519600000000 ] - [ 0.0001605300000000, -0.0005892200000000, -0.0000010500000000 ] - [ 0.0000951600000000, -0.0002672800000000, 0.0000707800000000 ] - [ -0.0001701100000000, 0.0000458400000000, -0.0010556300000000 ] - [ 0.0003399000000000, -0.0005654900000000, -0.0005519600000000 ] - [ 0.0001701100000000, 0.0000458400000000, 0.0010556300000000 ] - [ 0.0000000000000000, 0.0001196100000000, 0.0000000000000000 ] - [ -0.0000951600000000, -0.0002672800000000, -0.0000707800000000 ] - [ 0.0000000000000000, 0.0004530100000000, 0.0000000000000000 ] - [ 0.0003911300000000, 0.0008054700000000, 0.0003911300000000 ] - [ 0.0001976500000000, 0.0001875700000000, -0.0000910600000000 ] - [ -0.0003911300000000, 0.0008054700000000, -0.0003911300000000 ] - [ 0.0000910600000000, 0.0001875700000000, -0.0001976500000000 ] - [ -0.0001512900000000, -0.0002934500000000, 0.0001512900000000 ] - [ -0.0001976500000000, 0.0001875700000000, 0.0000910600000000 ] - [ 0.0001512900000000, -0.0002934500000000, -0.0001512900000000 ] - [ 0.0000000000000000, -0.0001008700000000, 0.0000000000000000 ] - [ -0.0000910600000000, 0.0001875700000000, 0.0001976500000000 ] - [ 0.0000000000000000, -0.0005088900000000, 0.0000000000000000 ] - [ 0.0000010500000000, -0.0005892200000000, -0.0001605300000000 ] - [ -0.0000707800000000, -0.0002672800000000, -0.0000951600000000 ] - [ -0.0000010500000000, -0.0005892200000000, 0.0001605300000000 ] - [ -0.0005519600000000, -0.0005654900000000, 0.0003399000000000 ] - [ 0.0010556300000000, 0.0000458400000000, 0.0001701100000000 ] - [ 0.0000707800000000, -0.0002672800000000, 0.0000951600000000 ] - [ -0.0010556300000000, 0.0000458400000000, -0.0001701100000000 ] - [ 0.0000000000000000, 0.0001196100000000, 0.0000000000000000 ] - [ 0.0005519600000000, -0.0005654900000000, -0.0003399000000000 ] - [ 0.0002471600000000, 0.0001283400000000, 0.0003349000000000 ] - [ 0.0002724300000000, -0.0002561300000000, 0.0002724300000000 ] - [ -0.0000393200000000, 0.0002701400000000, -0.0000393200000000 ] - [ -0.0001700200000000, 0.0000970000000000, 0.0002232600000000 ] - [ -0.0002724300000000, -0.0002561300000000, -0.0002724300000000 ] - [ 0.0003349000000000, 0.0001283400000000, 0.0002471600000000 ] - [ -0.0002232600000000, 0.0000970000000000, 0.0001700200000000 ] - [ -0.0003349000000000, 0.0001283400000000, -0.0002471600000000 ] - [ 0.0000731200000000, 0.0003454100000000, -0.0000731200000000 ] - [ -0.0000731200000000, 0.0003454100000000, 0.0000731200000000 ] - [ 0.0002429300000000, -0.0003759700000000, -0.0002429300000000 ] - [ 0.0017190900000000, -0.0005413000000000, 0.0017190900000000 ] - [ 0.0000385000000000, 0.0000758500000000, -0.0000385000000000 ] - [ -0.0000173800000000, 0.0003848300000000, -0.0000627700000000 ] - [ 0.0000393200000000, 0.0002701400000000, 0.0000393200000000 ] - [ -0.0000385000000000, 0.0000758500000000, 0.0000385000000000 ] - [ 0.0000173800000000, 0.0003848300000000, 0.0000627700000000 ] - [ -0.0000627700000000, 0.0003848300000000, -0.0000173800000000 ] - [ -0.0092171400000000, -0.0136632500000000, 0.0092171400000000 ] - [ -0.0002471600000000, 0.0001283400000000, -0.0003349000000000 ] - [ -0.0000826300000000, -0.0013188400000000, 0.0000826300000000 ] - [ 0.0000627700000000, 0.0003848300000000, 0.0000173800000000 ] - [ -0.0017646300000000, 0.0016326000000000, 0.0003999700000000 ] - [ -0.0002097100000000, 0.0005873600000000, 0.0000076900000000 ] - [ 0.0002245000000000, -0.0005603200000000, 0.0001370600000000 ] - [ 0.0013785300000000, 0.0026319000000000, 0.0013785300000000 ] - [ 0.0002097100000000, 0.0005873600000000, -0.0000076900000000 ] - [ -0.0004750100000000, 0.0002592800000000, 0.0001770500000000 ] - [ 0.0000221600000000, 0.0000393200000000, 0.0000221600000000 ] - [ 0.0004750100000000, 0.0002592800000000, -0.0001770500000000 ] - [ -0.0003313800000000, -0.0006677700000000, -0.0000254400000000 ] - [ 0.0003313800000000, -0.0006677700000000, 0.0000254400000000 ] - [ -0.0002197300000000, 0.0005947500000000, -0.0000014000000000 ] - [ -0.0002094300000000, 0.0007357300000000, 0.0002094300000000 ] - [ -0.0000393900000000, -0.0001825400000000, 0.0001334600000000 ] - [ 0.0000537000000000, -0.0005090500000000, -0.0001708800000000 ] - [ -0.0002245000000000, -0.0005603200000000, -0.0001370600000000 ] - [ 0.0000393900000000, -0.0001825400000000, -0.0001334600000000 ] - [ -0.0000537000000000, -0.0005090500000000, 0.0001708800000000 ] - [ 0.0003485200000000, -0.0029150100000000, 0.0018954900000000 ] - [ -0.0000014000000000, 0.0005947500000000, -0.0002197300000000 ] - [ 0.0017646300000000, 0.0016326000000000, -0.0003999700000000 ] - [ 0.0002374900000000, 0.0006083800000000, 0.0002374900000000 ] - [ -0.0003485200000000, -0.0029150100000000, -0.0018954900000000 ] - [ -0.0021604200000000, 0.0009278400000000, 0.0000216800000000 ] - [ 0.0196439800000000, -0.0239643100000000, 0.0196439800000000 ] - [ 0.0002223300000000, 0.0025427600000000, 0.0002223300000000 ] - [ 0.0002232600000000, 0.0000970000000000, -0.0001700200000000 ] - [ -0.0196439800000000, -0.0239643100000000, -0.0196439800000000 ] - [ 0.0000216800000000, 0.0009278400000000, -0.0021604200000000 ] - [ 0.0001700200000000, 0.0000970000000000, -0.0002232600000000 ] - [ -0.0000216800000000, 0.0009278400000000, 0.0021604200000000 ] - [ -0.0002439800000000, 0.0022377800000000, 0.0002439800000000 ] - [ 0.0002439800000000, 0.0022377800000000, -0.0002439800000000 ] - [ 0.0092171400000000, -0.0136632500000000, -0.0092171400000000 ] - [ -0.0017190900000000, -0.0005413000000000, -0.0017190900000000 ] - [ 0.0015614900000000, 0.0043102700000000, -0.0015614900000000 ] - [ -0.0001885000000000, 0.0008985900000000, 0.0005273300000000 ] - [ -0.0002223300000000, 0.0025427600000000, -0.0002223300000000 ] - [ -0.0015614900000000, 0.0043102700000000, 0.0015614900000000 ] - [ 0.0001885000000000, 0.0008985900000000, -0.0005273300000000 ] - [ 0.0005273300000000, 0.0008985900000000, -0.0001885000000000 ] - [ -0.0002429300000000, -0.0003759700000000, 0.0002429300000000 ] - [ 0.0021604200000000, 0.0009278400000000, -0.0000216800000000 ] - [ 0.0000826300000000, -0.0013188400000000, -0.0000826300000000 ] - [ -0.0005273300000000, 0.0008985900000000, 0.0001885000000000 ] - [ 0.0001770500000000, 0.0002592800000000, -0.0004750100000000 ] - [ 0.0000076900000000, 0.0005873600000000, -0.0002097100000000 ] - [ 0.0001370600000000, -0.0005603200000000, 0.0002245000000000 ] - [ -0.0000221600000000, 0.0000393200000000, -0.0000221600000000 ] - [ -0.0000076900000000, 0.0005873600000000, 0.0002097100000000 ] - [ 0.0003999700000000, 0.0016326000000000, -0.0017646300000000 ] - [ -0.0013785300000000, 0.0026319000000000, -0.0013785300000000 ] - [ -0.0003999700000000, 0.0016326000000000, 0.0017646300000000 ] - [ 0.0000254400000000, -0.0006677700000000, 0.0003313800000000 ] - [ -0.0000254400000000, -0.0006677700000000, -0.0003313800000000 ] - [ 0.0000014000000000, 0.0005947500000000, 0.0002197300000000 ] - [ 0.0002094300000000, 0.0007357300000000, -0.0002094300000000 ] - [ -0.0001334600000000, -0.0001825400000000, 0.0000393900000000 ] - [ 0.0018954900000000, -0.0029150100000000, 0.0003485200000000 ] - [ -0.0001370600000000, -0.0005603200000000, -0.0002245000000000 ] - [ 0.0001334600000000, -0.0001825400000000, -0.0000393900000000 ] - [ -0.0018954900000000, -0.0029150100000000, -0.0003485200000000 ] - [ -0.0001708800000000, -0.0005090500000000, 0.0000537000000000 ] - [ 0.0002197300000000, 0.0005947500000000, 0.0000014000000000 ] - [ -0.0001770500000000, 0.0002592800000000, 0.0004750100000000 ] - [ -0.0002374900000000, 0.0006083800000000, -0.0002374900000000 ] - [ 0.0001708800000000, -0.0005090500000000, -0.0000537000000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019276700000000, -0.0004696300000000, 0.0003198400000000 ] - [ 0.0008868200000000, -0.0004206700000000, -0.0000816600000000 ] - [ 0.0019276700000000, 0.0003198400000000, -0.0004696300000000 ] - [ 0.0008868200000000, -0.0000816600000000, -0.0004206700000000 ] - [ 0.0026351600000000, 0.0004032700000000, 0.0004032700000000 ] - [ 0.0138674500000000, -0.0080490800000000, -0.0080490800000000 ] - [ 0.0003577300000000, 0.0000439800000000, -0.0000639200000000 ] - [ 0.0005133900000000, 0.0001319100000000, 0.0001582900000000 ] - [ 0.0003577300000000, -0.0000639200000000, 0.0000439800000000 ] - [ 0.0005133900000000, 0.0001582900000000, 0.0001319100000000 ] - [ 0.0002761800000000, -0.0000549900000000, -0.0000549900000000 ] - [ -0.0000525000000000, 0.0001156000000000, 0.0001156000000000 ] - [ -0.0008980800000000, -0.0001125200000000, 0.0012480000000000 ] - [ -0.0005127600000000, 0.0000995700000000, 0.0000765700000000 ] - [ -0.0007792000000000, 0.0000344900000000, -0.0004458100000000 ] - [ -0.0035922100000000, 0.0043831700000000, -0.0069482900000000 ] - [ -0.0005466500000000, -0.0001115200000000, 0.0006917900000000 ] - [ 0.0001518400000000, 0.0001241600000000, -0.0001614400000000 ] - [ -0.0007792000000000, -0.0004458100000000, 0.0000344900000000 ] - [ -0.0035922100000000, -0.0069482900000000, 0.0043831700000000 ] - [ -0.0008980800000000, 0.0012480000000000, -0.0001125200000000 ] - [ -0.0005127600000000, 0.0000765700000000, 0.0000995700000000 ] - [ -0.0005466500000000, 0.0006917900000000, -0.0001115200000000 ] - [ 0.0001518400000000, -0.0001614400000000, 0.0001241600000000 ] - [ 0.0010510000000000, 0.0013826400000000, 0.0013826400000000 ] - [ 0.0006302300000000, 0.0002213100000000, 0.0001431300000000 ] - [ 0.0000777500000000, 0.0001988100000000, 0.0001988100000000 ] - [ 0.0006302300000000, 0.0001431300000000, 0.0002213100000000 ] - [ 0.0007917000000000, -0.0011012900000000, -0.0011012900000000 ] - [ 0.0018356100000000, -0.0000994700000000, -0.0006216700000000 ] - [ 0.0109515300000000, -0.0032384800000000, -0.0032384800000000 ] - [ 0.0018356100000000, -0.0006216700000000, -0.0000994700000000 ] - [ 0.0010234900000000, -0.0012200900000000, 0.0010874200000000 ] - [ -0.0007073700000000, -0.0007171300000000, 0.0004854300000000 ] - [ 0.0005457300000000, -0.0007177700000000, -0.0001190100000000 ] - [ -0.0024354700000000, -0.0086234800000000, -0.0002921200000000 ] - [ 0.0010234900000000, 0.0010874200000000, -0.0012200900000000 ] - [ -0.0024354700000000, -0.0002921200000000, -0.0086234800000000 ] - [ 0.0005457300000000, -0.0001190100000000, -0.0007177700000000 ] - [ -0.0007073700000000, 0.0004854300000000, -0.0007171300000000 ] - [ 0.0053434600000000, 0.0029978800000000, 0.0086071600000000 ] - [ -0.1319011600000000, 0.0056641000000000, 0.0056641000000000 ] - [ 0.0053434600000000, 0.0086071600000000, 0.0029978800000000 ] - [ 0.0006429000000000, 0.0002432200000000, 0.0006933600000000 ] - [ 0.0013209400000000, 0.0013007200000000, 0.0013007200000000 ] - [ -0.0008258000000000, -0.0002403000000000, -0.0002403000000000 ] - [ -0.0000983600000000, 0.0002289400000000, 0.0003454500000000 ] - [ 0.0006429000000000, 0.0006933600000000, 0.0002432200000000 ] - [ -0.0000983600000000, 0.0003454500000000, 0.0002289400000000 ] - [ -0.0063351800000000, -0.0030822500000000, -0.0030822500000000 ] - [ -0.0001748800000000, 0.0001329500000000, -0.0000408600000000 ] - [ -0.0004070300000000, 0.0000031300000000, 0.0000031300000000 ] - [ -0.0001748800000000, -0.0000408600000000, 0.0001329500000000 ] - [ 0.0002321300000000, 0.0000697000000000, -0.0000417500000000 ] - [ 0.0003180600000000, -0.0001559900000000, -0.0001559900000000 ] - [ -0.0061933100000000, 0.0031374700000000, 0.0031374700000000 ] - [ -0.0002046800000000, -0.0002809900000000, -0.0001382300000000 ] - [ 0.0002321300000000, -0.0000417500000000, 0.0000697000000000 ] - [ -0.0002046800000000, -0.0001382300000000, -0.0002809900000000 ] - [ -0.0008352200000000, 0.0004043800000000, 0.0004043800000000 ] - [ 0.0006185000000000, -0.0004206600000000, 0.0006880200000000 ] - [ 0.0004395100000000, 0.0000034400000000, 0.0000733300000000 ] - [ 0.0002344500000000, -0.0000826000000000, -0.0000261300000000 ] - [ 0.0051962600000000, -0.0031263600000000, 0.0079206800000000 ] - [ -0.0000148500000000, -0.0003483400000000, 0.0004996300000000 ] - [ 0.0005543500000000, -0.0000701000000000, 0.0000808100000000 ] - [ 0.0011295600000000, -0.0011579700000000, 0.0010794200000000 ] - [ -0.0001343400000000, -0.0000386400000000, -0.0000829400000000 ] - [ 0.0002521000000000, -0.0001273900000000, 0.0001636500000000 ] - [ 0.0005584800000000, -0.0001979200000000, 0.0001089600000000 ] - [ 0.0002344500000000, -0.0000261300000000, -0.0000826000000000 ] - [ 0.0004395100000000, 0.0000733300000000, 0.0000034400000000 ] - [ 0.0006185000000000, 0.0006880200000000, -0.0004206600000000 ] - [ -0.0001343400000000, -0.0000829400000000, -0.0000386400000000 ] - [ -0.0000148500000000, 0.0004996300000000, -0.0003483400000000 ] - [ 0.0005543500000000, 0.0000808100000000, -0.0000701000000000 ] - [ 0.0002521000000000, 0.0001636500000000, -0.0001273900000000 ] - [ 0.0051962600000000, 0.0079206800000000, -0.0031263600000000 ] - [ 0.0011295600000000, 0.0010794200000000, -0.0011579700000000 ] - [ 0.0005584800000000, 0.0001089600000000, -0.0001979200000000 ] - [ 0.0005560800000000, -0.0017363600000000, -0.0017363600000000 ] - [ -0.0015124200000000, -0.0004339000000000, -0.0018251500000000 ] - [ -0.0002333500000000, -0.0000719100000000, -0.0000719100000000 ] - [ -0.0000883600000000, 0.0006173700000000, 0.0006173700000000 ] - [ -0.0005764800000000, -0.0000571300000000, -0.0002430000000000 ] - [ -0.0015124200000000, -0.0018251500000000, -0.0004339000000000 ] - [ -0.0010723400000000, -0.0004382600000000, 0.0001682200000000 ] - [ -0.0003400400000000, -0.0000574400000000, -0.0000350000000000 ] - [ -0.0003400400000000, -0.0000350000000000, -0.0000574400000000 ] - [ 0.0000134200000000, -0.0000245700000000, -0.0000439600000000 ] - [ -0.0010723400000000, 0.0001682200000000, -0.0004382600000000 ] - [ 0.0258045000000000, 0.0236466500000000, 0.0236466500000000 ] - [ -0.0006927200000000, -0.0002686400000000, -0.0002686400000000 ] - [ 0.0000134200000000, -0.0000439600000000, -0.0000245700000000 ] - [ -0.0002560000000000, -0.0004776300000000, -0.0002534900000000 ] - [ -0.0002560000000000, -0.0002534900000000, -0.0004776300000000 ] - [ -0.0005764800000000, -0.0002430000000000, -0.0000571300000000 ] - [ -0.0004657800000000, 0.0000459400000000, 0.0000246600000000 ] - [ -0.0036722800000000, -0.0018945700000000, -0.0018945700000000 ] - [ -0.0004657800000000, 0.0000246600000000, 0.0000459400000000 ] - [ -0.0026020000000000, 0.0001660200000000, 0.0001660200000000 ] - [ 0.0002543800000000, -0.0002157300000000, -0.0002157300000000 ] - [ 0.0006356000000000, 0.0014456100000000, 0.0014456100000000 ] - [ -0.0000395400000000, 0.0004237100000000, 0.0001066400000000 ] - [ -0.0022597500000000, 0.0003860300000000, 0.0003860300000000 ] - [ -0.0000407300000000, -0.0004406300000000, -0.0004406300000000 ] - [ -0.0004599600000000, 0.0002211600000000, 0.0000439700000000 ] - [ -0.0000395400000000, 0.0001066400000000, 0.0004237100000000 ] - [ -0.0003351700000000, 0.0000513900000000, -0.0000323500000000 ] - [ -0.0009837900000000, 0.0004267500000000, -0.0000623000000000 ] - [ -0.0009837900000000, -0.0000623000000000, 0.0004267500000000 ] - [ -0.0030088400000000, -0.0017843200000000, 0.0020447000000000 ] - [ -0.0003351700000000, -0.0000323500000000, 0.0000513900000000 ] - [ 0.0002596000000000, 0.0001676900000000, 0.0001676900000000 ] - [ -0.0006774700000000, 0.0001944800000000, 0.0001944800000000 ] - [ -0.0030088400000000, 0.0020447000000000, -0.0017843200000000 ] - [ -0.0014738100000000, 0.0003678500000000, 0.0018584900000000 ] - [ -0.0014738100000000, 0.0018584900000000, 0.0003678500000000 ] - [ -0.0004599600000000, 0.0000439700000000, 0.0002211600000000 ] - [ -0.0014621400000000, -0.0000550000000000, -0.0005806900000000 ] - [ -0.0000308500000000, 0.0000438600000000, 0.0000438600000000 ] - [ -0.0014621400000000, -0.0005806900000000, -0.0000550000000000 ] - [ -0.0002775200000000, -0.0000412100000000, -0.0000412100000000 ] - [ 0.0291597600000000, -0.0241255800000000, -0.0241255800000000 ] - [ -0.0007759700000000, 0.0001775500000000, -0.0001059700000000 ] - [ -0.0014973600000000, 0.0005337400000000, -0.0017695100000000 ] - [ 0.0003772800000000, 0.0017416000000000, -0.0000966700000000 ] - [ -0.0000335800000000, -0.0004325000000000, 0.0005443900000000 ] - [ 0.0271856000000000, -0.0243631100000000, 0.0230345900000000 ] - [ -0.0001297200000000, 0.0001570500000000, -0.0004674100000000 ] - [ 0.0005424900000000, 0.0001687700000000, -0.0001169800000000 ] - [ 0.0026161700000000, 0.0003954200000000, 0.0018659300000000 ] - [ 0.0005514900000000, 0.0001582800000000, -0.0003369600000000 ] - [ -0.0001089100000000, -0.0000023800000000, -0.0001357700000000 ] - [ 0.0027478800000000, -0.0019838700000000, -0.0005178700000000 ] - [ -0.0006242500000000, 0.0000971300000000, -0.0002587500000000 ] - [ 0.0005024100000000, 0.0014034900000000, -0.0014355100000000 ] - [ -0.0000957800000000, 0.0000525600000000, 0.0002225400000000 ] - [ -0.0000816300000000, 0.0004413000000000, -0.0002353200000000 ] - [ -0.0008857400000000, 0.0014700800000000, -0.0003363000000000 ] - [ 0.0003110600000000, 0.0001132300000000, -0.0002252700000000 ] - [ 0.0005883900000000, -0.0000997600000000, 0.0001522100000000 ] - [ -0.0000174000000000, 0.0002110700000000, -0.0002944800000000 ] - [ 0.0026131700000000, -0.0013364700000000, 0.0015788000000000 ] - [ 0.0004161900000000, 0.0000306100000000, 0.0002191300000000 ] - [ -0.0006215000000000, 0.0000447400000000, 0.0000180300000000 ] - [ -0.0007759700000000, -0.0001059700000000, 0.0001775500000000 ] - [ -0.0001297200000000, -0.0004674100000000, 0.0001570500000000 ] - [ 0.0003772800000000, -0.0000966700000000, 0.0017416000000000 ] - [ -0.0000335800000000, 0.0005443900000000, -0.0004325000000000 ] - [ 0.0003110600000000, -0.0002252700000000, 0.0001132300000000 ] - [ -0.0014973600000000, -0.0017695100000000, 0.0005337400000000 ] - [ 0.0027478800000000, -0.0005178700000000, -0.0019838700000000 ] - [ 0.0005514900000000, -0.0003369600000000, 0.0001582800000000 ] - [ 0.0026161700000000, 0.0018659300000000, 0.0003954200000000 ] - [ -0.0000957800000000, 0.0002225400000000, 0.0000525600000000 ] - [ 0.0005424900000000, -0.0001169800000000, 0.0001687700000000 ] - [ -0.0006242500000000, -0.0002587500000000, 0.0000971300000000 ] - [ 0.0005024100000000, -0.0014355100000000, 0.0014034900000000 ] - [ -0.0001089100000000, -0.0001357700000000, -0.0000023800000000 ] - [ -0.0008857400000000, -0.0003363000000000, 0.0014700800000000 ] - [ -0.0000816300000000, -0.0002353200000000, 0.0004413000000000 ] - [ 0.0271856000000000, 0.0230345900000000, -0.0243631100000000 ] - [ 0.0026131700000000, 0.0015788000000000, -0.0013364700000000 ] - [ -0.0000174000000000, -0.0002944800000000, 0.0002110700000000 ] - [ 0.0005883900000000, 0.0001522100000000, -0.0000997600000000 ] - [ 0.0004161900000000, 0.0002191300000000, 0.0000306100000000 ] - [ -0.0006215000000000, 0.0000180300000000, 0.0000447400000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019262300000000, 0.0004689400000000, -0.0003161900000000 ] - [ -0.0008868600000000, 0.0004442300000000, 0.0000978100000000 ] - [ -0.0019262300000000, -0.0003161900000000, 0.0004689400000000 ] - [ -0.0008868600000000, 0.0000978100000000, 0.0004442300000000 ] - [ -0.0026449600000000, -0.0004082700000000, -0.0004082700000000 ] - [ -0.0136532000000000, 0.0079343000000000, 0.0079343000000000 ] - [ -0.0003571200000000, -0.0000691300000000, 0.0000282500000000 ] - [ -0.0005191600000000, -0.0001044500000000, -0.0001576900000000 ] - [ -0.0003571200000000, 0.0000282500000000, -0.0000691300000000 ] - [ -0.0005191600000000, -0.0001576900000000, -0.0001044500000000 ] - [ -0.0002773500000000, 0.0000521400000000, 0.0000521400000000 ] - [ 0.0000753700000000, -0.0000770500000000, -0.0000770500000000 ] - [ 0.0008990800000000, 0.0001215100000000, -0.0012856100000000 ] - [ 0.0005241700000000, -0.0000959600000000, -0.0000627100000000 ] - [ 0.0007731800000000, -0.0000492100000000, 0.0004510100000000 ] - [ 0.0036317100000000, -0.0043919000000000, 0.0069691100000000 ] - [ 0.0005247700000000, 0.0001076800000000, -0.0006900600000000 ] - [ -0.0001325000000000, -0.0001251000000000, 0.0001500700000000 ] - [ 0.0007731800000000, 0.0004510100000000, -0.0000492100000000 ] - [ 0.0036317100000000, 0.0069691100000000, -0.0043919000000000 ] - [ 0.0008990800000000, -0.0012856100000000, 0.0001215100000000 ] - [ 0.0005241700000000, -0.0000627100000000, -0.0000959600000000 ] - [ 0.0005247700000000, -0.0006900600000000, 0.0001076800000000 ] - [ -0.0001325000000000, 0.0001500700000000, -0.0001251000000000 ] - [ -0.0010021800000000, -0.0013477500000000, -0.0013477500000000 ] - [ -0.0006654900000000, -0.0002584400000000, -0.0000955000000000 ] - [ -0.0000356600000000, -0.0002370900000000, -0.0002370900000000 ] - [ -0.0006654900000000, -0.0000955000000000, -0.0002584400000000 ] - [ -0.0007196500000000, 0.0011343000000000, 0.0011343000000000 ] - [ -0.0018868000000000, 0.0000668800000000, 0.0006683700000000 ] - [ -0.0109586500000000, 0.0032377000000000, 0.0032377000000000 ] - [ -0.0018868000000000, 0.0006683700000000, 0.0000668800000000 ] - [ -0.0009916300000000, 0.0012557000000000, -0.0010706700000000 ] - [ 0.0006824100000000, 0.0006602900000000, -0.0004593400000000 ] - [ -0.0005029900000000, 0.0006764400000000, 0.0000887900000000 ] - [ 0.0023962800000000, 0.0086925400000000, 0.0002519600000000 ] - [ -0.0009916300000000, -0.0010706700000000, 0.0012557000000000 ] - [ 0.0023962800000000, 0.0002519600000000, 0.0086925400000000 ] - [ -0.0005029900000000, 0.0000887900000000, 0.0006764400000000 ] - [ 0.0006824100000000, -0.0004593400000000, 0.0006602900000000 ] - [ -0.0053299400000000, -0.0030421000000000, -0.0085444300000000 ] - [ 0.1318698800000000, -0.0056470200000000, -0.0056470200000000 ] - [ -0.0053299400000000, -0.0085444300000000, -0.0030421000000000 ] - [ -0.0006208200000000, -0.0002688200000000, -0.0006672200000000 ] - [ -0.0012759200000000, -0.0012898400000000, -0.0012898400000000 ] - [ 0.0007947700000000, 0.0002678400000000, 0.0002678400000000 ] - [ 0.0000941600000000, -0.0002295200000000, -0.0003033500000000 ] - [ -0.0006208200000000, -0.0006672200000000, -0.0002688200000000 ] - [ 0.0000941600000000, -0.0003033500000000, -0.0002295200000000 ] - [ 0.0062834800000000, 0.0030509800000000, 0.0030509800000000 ] - [ 0.0001724200000000, -0.0001751400000000, 0.0000365800000000 ] - [ 0.0003783100000000, -0.0000265600000000, -0.0000265600000000 ] - [ 0.0001724200000000, 0.0000365800000000, -0.0001751400000000 ] - [ -0.0002101200000000, -0.0000927600000000, 0.0000650600000000 ] - [ -0.0002774200000000, 0.0001580400000000, 0.0001580400000000 ] - [ 0.0061611400000000, -0.0030847600000000, -0.0030847600000000 ] - [ 0.0002029500000000, 0.0002828700000000, 0.0001838100000000 ] - [ -0.0002101200000000, 0.0000650600000000, -0.0000927600000000 ] - [ 0.0002029500000000, 0.0001838100000000, 0.0002828700000000 ] - [ 0.0007915600000000, -0.0004086100000000, -0.0004086100000000 ] - [ -0.0006185400000000, 0.0003778000000000, -0.0006921000000000 ] - [ -0.0004646900000000, -0.0000274100000000, -0.0000965900000000 ] - [ -0.0002346500000000, 0.0000802900000000, -0.0000144200000000 ] - [ -0.0051856100000000, 0.0030971900000000, -0.0079578000000000 ] - [ 0.0000581300000000, 0.0003507200000000, -0.0004973500000000 ] - [ -0.0005794900000000, 0.0000926600000000, -0.0000576200000000 ] - [ -0.0011361900000000, 0.0011690600000000, -0.0010463800000000 ] - [ 0.0001607900000000, 0.0000677500000000, 0.0000561100000000 ] - [ -0.0002528800000000, 0.0001666000000000, -0.0001614600000000 ] - [ -0.0006023500000000, 0.0001955500000000, -0.0001129800000000 ] - [ -0.0002346500000000, -0.0000144200000000, 0.0000802900000000 ] - [ -0.0004646900000000, -0.0000965900000000, -0.0000274100000000 ] - [ -0.0006185400000000, -0.0006921000000000, 0.0003778000000000 ] - [ 0.0001607900000000, 0.0000561100000000, 0.0000677500000000 ] - [ 0.0000581300000000, -0.0004973500000000, 0.0003507200000000 ] - [ -0.0005794900000000, -0.0000576200000000, 0.0000926600000000 ] - [ -0.0002528800000000, -0.0001614600000000, 0.0001666000000000 ] - [ -0.0051856100000000, -0.0079578000000000, 0.0030971900000000 ] - [ -0.0011361900000000, -0.0010463800000000, 0.0011690600000000 ] - [ -0.0006023500000000, -0.0001129800000000, 0.0001955500000000 ] - [ -0.0005706800000000, 0.0016974500000000, 0.0016974500000000 ] - [ 0.0014780900000000, 0.0004322500000000, 0.0017939400000000 ] - [ 0.0002606800000000, 0.0001002800000000, 0.0001002800000000 ] - [ 0.0001101500000000, -0.0006063700000000, -0.0006063700000000 ] - [ 0.0006138300000000, 0.0000440300000000, 0.0002838900000000 ] - [ 0.0014780900000000, 0.0017939400000000, 0.0004322500000000 ] - [ 0.0010543500000000, 0.0004513200000000, -0.0001795800000000 ] - [ 0.0003580100000000, 0.0000386800000000, 0.0000235900000000 ] - [ 0.0003580100000000, 0.0000235900000000, 0.0000386800000000 ] - [ -0.0000350600000000, 0.0000041900000000, 0.0000650100000000 ] - [ 0.0010543500000000, -0.0001795800000000, 0.0004513200000000 ] - [ -0.0261605900000000, -0.0245673200000000, -0.0245673200000000 ] - [ 0.0007228200000000, 0.0002367600000000, 0.0002367600000000 ] - [ -0.0000350600000000, 0.0000650100000000, 0.0000041900000000 ] - [ 0.0002300700000000, 0.0005080200000000, 0.0002209200000000 ] - [ 0.0002300700000000, 0.0002209200000000, 0.0005080200000000 ] - [ 0.0006138300000000, 0.0002838900000000, 0.0000440300000000 ] - [ 0.0004719200000000, -0.0000061000000000, -0.0000677300000000 ] - [ 0.0036833300000000, 0.0018671200000000, 0.0018671200000000 ] - [ 0.0004719200000000, -0.0000677300000000, -0.0000061000000000 ] - [ 0.0026003600000000, -0.0001663500000000, -0.0001663500000000 ] - [ -0.0002521100000000, 0.0002390300000000, 0.0002390300000000 ] - [ -0.0006530300000000, -0.0014697300000000, -0.0014697300000000 ] - [ 0.0000043600000000, -0.0003914100000000, -0.0001373700000000 ] - [ 0.0022871400000000, -0.0003618500000000, -0.0003618500000000 ] - [ 0.0000410700000000, 0.0004495400000000, 0.0004495400000000 ] - [ 0.0005128500000000, -0.0002176100000000, 0.0000105500000000 ] - [ 0.0000043600000000, -0.0001373700000000, -0.0003914100000000 ] - [ 0.0003348300000000, -0.0000491000000000, 0.0000123500000000 ] - [ 0.0009976800000000, -0.0004437500000000, 0.0000478900000000 ] - [ 0.0009976800000000, 0.0000478900000000, -0.0004437500000000 ] - [ 0.0029969600000000, 0.0018030500000000, -0.0020314400000000 ] - [ 0.0003348300000000, 0.0000123500000000, -0.0000491000000000 ] - [ -0.0002793100000000, -0.0001686000000000, -0.0001686000000000 ] - [ 0.0007042500000000, -0.0002167200000000, -0.0002167200000000 ] - [ 0.0029969600000000, -0.0020314400000000, 0.0018030500000000 ] - [ 0.0014394400000000, -0.0003446500000000, -0.0018858600000000 ] - [ 0.0014394400000000, -0.0018858600000000, -0.0003446500000000 ] - [ 0.0005128500000000, 0.0000105500000000, -0.0002176100000000 ] - [ 0.0014586800000000, 0.0000784400000000, 0.0005514700000000 ] - [ 0.0000153000000000, -0.0000498700000000, -0.0000498700000000 ] - [ 0.0014586800000000, 0.0005514700000000, 0.0000784400000000 ] - [ 0.0002782500000000, 0.0000424700000000, 0.0000424700000000 ] - [ -0.0296523600000000, 0.0251834500000000, 0.0251834500000000 ] - [ 0.0007934600000000, -0.0001972200000000, 0.0000868100000000 ] - [ 0.0014797100000000, -0.0005348800000000, 0.0017473500000000 ] - [ -0.0003487500000000, -0.0017103400000000, 0.0001261900000000 ] - [ 0.0000476800000000, 0.0004364500000000, -0.0005325300000000 ] - [ -0.0268370400000000, 0.0233769400000000, -0.0221008500000000 ] - [ 0.0000768300000000, -0.0002114900000000, 0.0004692300000000 ] - [ -0.0005480000000000, -0.0001720600000000, 0.0000862900000000 ] - [ -0.0025758900000000, -0.0004281600000000, -0.0018600400000000 ] - [ -0.0005092600000000, -0.0001536100000000, 0.0002947000000000 ] - [ 0.0000750700000000, -0.0000087000000000, 0.0001673300000000 ] - [ -0.0027468600000000, 0.0019751600000000, 0.0005561900000000 ] - [ 0.0006322200000000, -0.0001204500000000, 0.0002256100000000 ] - [ -0.0004746800000000, -0.0014411600000000, 0.0014151400000000 ] - [ 0.0000562700000000, -0.0000162400000000, -0.0002140400000000 ] - [ 0.0000551100000000, -0.0004106200000000, 0.0002141700000000 ] - [ 0.0008658100000000, -0.0015028700000000, 0.0003589000000000 ] - [ -0.0002718200000000, -0.0000696400000000, 0.0002535500000000 ] - [ -0.0006187400000000, 0.0001315300000000, -0.0001794000000000 ] - [ 0.0000223200000000, -0.0002022200000000, 0.0002749900000000 ] - [ -0.0026249900000000, 0.0012958900000000, -0.0015417500000000 ] - [ -0.0004152100000000, -0.0000304000000000, -0.0002177100000000 ] - [ 0.0006123800000000, 0.0000008900000000, 0.0000282000000000 ] - [ 0.0007934600000000, 0.0000868100000000, -0.0001972200000000 ] - [ 0.0000768300000000, 0.0004692300000000, -0.0002114900000000 ] - [ -0.0003487500000000, 0.0001261900000000, -0.0017103400000000 ] - [ 0.0000476800000000, -0.0005325300000000, 0.0004364500000000 ] - [ -0.0002718200000000, 0.0002535500000000, -0.0000696400000000 ] - [ 0.0014797100000000, 0.0017473500000000, -0.0005348800000000 ] - [ -0.0027468600000000, 0.0005561900000000, 0.0019751600000000 ] - [ -0.0005092600000000, 0.0002947000000000, -0.0001536100000000 ] - [ -0.0025758900000000, -0.0018600400000000, -0.0004281600000000 ] - [ 0.0000562700000000, -0.0002140400000000, -0.0000162400000000 ] - [ -0.0005480000000000, 0.0000862900000000, -0.0001720600000000 ] - [ 0.0006322200000000, 0.0002256100000000, -0.0001204500000000 ] - [ -0.0004746800000000, 0.0014151400000000, -0.0014411600000000 ] - [ 0.0000750700000000, 0.0001673300000000, -0.0000087000000000 ] - [ 0.0008658100000000, 0.0003589000000000, -0.0015028700000000 ] - [ 0.0000551100000000, 0.0002141700000000, -0.0004106200000000 ] - [ -0.0268370400000000, -0.0221008500000000, 0.0233769400000000 ] - [ -0.0026249900000000, -0.0015417500000000, 0.0012958900000000 ] - [ 0.0000223200000000, 0.0002749900000000, -0.0002022200000000 ] - [ -0.0006187400000000, -0.0001794000000000, 0.0001315300000000 ] - [ -0.0004152100000000, -0.0002177100000000, -0.0000304000000000 ] - [ 0.0006123800000000, 0.0000282000000000, 0.0000008900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000287000000000, 0.0002008400000000, -0.0001692500000000 ] - [ 0.0000576200000000, 0.0006944700000000, 0.0000979800000000 ] - [ 0.0000126500000000, -0.0004238600000000, -0.0001853500000000 ] - [ -0.0000015500000000, 0.0004561400000000, 0.0000897300000000 ] - [ 0.0009855200000000, 0.0005431200000000, -0.0007795200000000 ] - [ -0.0019342600000000, 0.0003416800000000, -0.0013588200000000 ] - [ 0.0002195600000000, -0.0005179400000000, -0.0002008500000000 ] - [ 0.0000467400000000, -0.0003877900000000, 0.0000737900000000 ] - [ 0.0000566900000000, 0.0002974800000000, -0.0001916300000000 ] - [ 0.0000106800000000, -0.0002166000000000, 0.0000179000000000 ] - [ -0.0002108300000000, -0.0004728200000000, -0.0001515900000000 ] - [ 0.0003747700000000, -0.0004771700000000, -0.0003680500000000 ] - [ -0.0000070400000000, 0.0045044600000000, 0.0016276300000000 ] - [ -0.0001714800000000, 0.0022489900000000, -0.0010104900000000 ] - [ -0.0000628700000000, -0.0013692600000000, 0.0007910200000000 ] - [ 0.0000506300000000, 0.0005070200000000, -0.0002539100000000 ] - [ -0.0006831100000000, 0.0005866600000000, 0.0004121600000000 ] - [ 0.0007364600000000, 0.0005019500000000, 0.0005339100000000 ] - [ 0.0000000800000000, -0.0009191900000000, 0.0007773100000000 ] - [ 0.0000093200000000, -0.0019746000000000, -0.0002548500000000 ] - [ 0.0000840000000000, 0.0049652700000000, 0.0009730300000000 ] - [ -0.0004881000000000, -0.0034959000000000, -0.0002104000000000 ] - [ 0.0007761500000000, -0.0015144000000000, 0.0010446500000000 ] - [ -0.0007902200000000, -0.0011102200000000, 0.0004568400000000 ] - [ -0.0005564700000000, 0.0102476700000000, -0.0009037400000000 ] - [ -0.0026537600000000, 0.0001656600000000, 0.0002863100000000 ] - [ -0.0038460200000000, 0.0002887500000000, -0.0029992100000000 ] - [ -0.0000569200000000, 0.0014170700000000, 0.0000257000000000 ] - [ -0.0000039600000000, -0.0007508000000000, -0.0000595100000000 ] - [ 0.0001462400000000, -0.0001924100000000, 0.0000377100000000 ] - [ 0.0007447800000000, -0.0006581500000000, -0.0008189500000000 ] - [ 0.0000705600000000, -0.0006459700000000, -0.0000398000000000 ] - [ 0.0000353800000000, 0.0006200800000000, -0.0001698400000000 ] - [ 0.0001598500000000, 0.0002288700000000, -0.0000931200000000 ] - [ 0.0004523200000000, 0.0003118400000000, 0.0004048800000000 ] - [ 0.0002896800000000, 0.0018592500000000, -0.0004313000000000 ] - [ -0.0002329400000000, -0.0018663900000000, -0.0000661400000000 ] - [ -0.0013050700000000, -0.0047833200000000, -0.0001231700000000 ] - [ -0.0008995200000000, -0.0005344400000000, 0.0006608100000000 ] - [ 0.0000250800000000, -0.0024213600000000, 0.0002755600000000 ] - [ -0.0002702600000000, -0.0001536900000000, -0.0002926700000000 ] - [ -0.0017291300000000, -0.0015026100000000, -0.0018152300000000 ] - [ -0.0003963100000000, -0.0006927200000000, -0.0003569600000000 ] - [ -0.0000458200000000, 0.0000120100000000, 0.0000507600000000 ] - [ -0.0000517100000000, -0.0002632900000000, -0.0000743900000000 ] - [ 0.0002049800000000, -0.0005877100000000, -0.0002611700000000 ] - [ -0.0000370300000000, -0.0003316100000000, 0.0000052000000000 ] - [ 0.0000284100000000, -0.0003508200000000, 0.0000446700000000 ] - [ -0.0000098000000000, -0.0003686000000000, -0.0000225800000000 ] - [ -0.0002944300000000, -0.0005888100000000, -0.0003146800000000 ] - [ 0.0020998300000000, -0.0016471800000000, -0.0020669600000000 ] - [ 0.0014546400000000, -0.0015035500000000, -0.0017748300000000 ] - [ 0.0004412000000000, 0.0005895300000000, -0.0004182400000000 ] - [ 0.0005851200000000, -0.0001033500000000, 0.0003099300000000 ] - [ 0.0002575900000000, 0.0007040200000000, 0.0000856300000000 ] - [ 0.0251731200000000, 0.0272454700000000, 0.0230887300000000 ] - [ 0.0020301400000000, 0.0029039000000000, 0.0019066300000000 ] - [ -0.0000476700000000, 0.0005312700000000, 0.0001376300000000 ] - [ -0.0018877800000000, 0.0029491700000000, 0.0021050200000000 ] - [ -0.0187578800000000, 0.0241780500000000, 0.0182800700000000 ] - [ 0.0014485500000000, -0.0009522400000000, 0.0011479400000000 ] - [ 0.0001830000000000, -0.0000284400000000, 0.0001833500000000 ] - [ 0.0003969100000000, -0.0007383100000000, 0.0004552100000000 ] - [ 0.0013235100000000, -0.0030136300000000, -0.0004093800000000 ] - [ 0.0003613200000000, -0.0016251100000000, 0.0003488200000000 ] - [ -0.0000342200000000, -0.0004826600000000, 0.0001012200000000 ] - [ 0.0002590400000000, -0.0008680300000000, 0.0000703800000000 ] - [ -0.0001078000000000, -0.0009904700000000, -0.0000363900000000 ] - [ -0.0001315000000000, -0.0008806900000000, 0.0001164600000000 ] - [ 0.0001872700000000, -0.0005127100000000, 0.0001593400000000 ] - [ -0.0002584000000000, -0.0002826500000000, 0.0002012600000000 ] - [ -0.0000980800000000, -0.0001010400000000, 0.0001107700000000 ] - [ -0.0002446400000000, 0.0006941800000000, -0.0000450400000000 ] - [ -0.0001592400000000, -0.0000827500000000, -0.0004310100000000 ] - [ -0.0000002000000000, 0.0005417400000000, 0.0003379600000000 ] - [ -0.0000058100000000, 0.0003002100000000, 0.0000179900000000 ] - [ -0.0001834300000000, 0.0004522700000000, -0.0001650100000000 ] - [ 0.0015712300000000, 0.0026080900000000, -0.0020452700000000 ] - [ 0.0001523500000000, 0.0005256500000000, -0.0002052200000000 ] - [ -0.0000317200000000, 0.0002760500000000, -0.0000202300000000 ] - [ -0.0058177600000000, -0.0904714500000000, -0.0551659300000000 ] - [ -0.0064997900000000, 0.0026463700000000, 0.0000703300000000 ] - [ 0.0010287400000000, -0.0005320300000000, 0.0005253700000000 ] - [ 0.0001364400000000, -0.0017380400000000, 0.0000437800000000 ] - [ -0.0005711800000000, -0.0006320400000000, -0.0005336600000000 ] - [ 0.0000767800000000, -0.0029523800000000, 0.0002089000000000 ] - [ -0.0000270200000000, -0.0005445900000000, 0.0000077800000000 ] - [ 0.0000360900000000, -0.0004964600000000, 0.0000028800000000 ] - [ 0.0004047700000000, 0.0007729500000000, -0.0000466800000000 ] - [ 0.0005672100000000, 0.0011022000000000, 0.0003070100000000 ] - [ -0.0008679800000000, 0.0008495400000000, 0.0001482800000000 ] - [ -0.0011865900000000, 0.0061226600000000, 0.0085447900000000 ] - [ -0.0002223400000000, -0.0002376600000000, 0.0000264000000000 ] - [ 0.0005261300000000, -0.0002377100000000, 0.0010200800000000 ] - [ 0.0074181900000000, 0.0022976000000000, 0.0012203100000000 ] - [ 0.0001042800000000, -0.0031703400000000, 0.0002840700000000 ] - [ 0.0003059700000000, -0.0002398500000000, -0.0004668400000000 ] - [ 0.0006288600000000, -0.0001649300000000, -0.0000085800000000 ] - [ 0.0002404900000000, 0.0002662400000000, 0.0002106800000000 ] - [ -0.0000155300000000, -0.0006397200000000, 0.0000145800000000 ] - [ 0.0001553500000000, -0.0002568600000000, 0.0000485300000000 ] - [ 0.0013314600000000, 0.0056282100000000, 0.0079022400000000 ] - [ 0.0000214800000000, 0.0007288300000000, 0.0001134200000000 ] - [ 0.0001387700000000, 0.0004744500000000, 0.0000174300000000 ] - [ -0.0002481100000000, 0.0003423200000000, 0.0001735400000000 ] - [ -0.0000061600000000, 0.0003564400000000, 0.0000176700000000 ] - [ 0.0001795000000000, 0.0004154300000000, -0.0000956300000000 ] - [ 0.0000692800000000, 0.0007279900000000, -0.0000613900000000 ] - [ -0.0000589600000000, 0.0006915700000000, 0.0000174400000000 ] - [ -0.0000728900000000, 0.0006486400000000, 0.0000638300000000 ] - [ -0.0001280700000000, -0.0001862200000000, -0.0000001400000000 ] - [ -0.0006440900000000, -0.0003634300000000, 0.0006459600000000 ] - [ 0.0001947600000000, -0.0001362700000000, 0.0000015400000000 ] - [ 0.0002162500000000, 0.0012122600000000, 0.0009792200000000 ] - [ -0.0000055200000000, 0.0003145600000000, 0.0000074500000000 ] - [ -0.0008203100000000, 0.0011241400000000, 0.0006606900000000 ] - [ -0.0002051000000000, 0.0003730400000000, 0.0001539800000000 ] - [ -0.0001000700000000, 0.0006455200000000, 0.0000884600000000 ] - [ -0.0002030400000000, 0.0001606900000000, -0.0002078800000000 ] - [ -0.0000358200000000, 0.0001019600000000, -0.0000137600000000 ] - [ -0.0007418300000000, -0.0003724500000000, 0.0006285600000000 ] - [ -0.0000354600000000, 0.0003248300000000, 0.0000082000000000 ] - [ -0.0000532400000000, 0.0002397900000000, 0.0001085400000000 ] - [ -0.0001974700000000, 0.0012372900000000, 0.0011228300000000 ] - [ -0.0000058200000000, -0.0002968100000000, 0.0000354800000000 ] - [ 0.0001432200000000, -0.0002831400000000, 0.0000691500000000 ] - [ -0.0008617900000000, -0.0006164400000000, -0.0006724800000000 ] - [ 0.0000629300000000, -0.0006275500000000, 0.0000450800000000 ] - [ 0.0006389300000000, -0.0006115300000000, 0.0008129000000000 ] - [ -0.0002270900000000, -0.0006216500000000, 0.0002067500000000 ] - [ -0.0012058500000000, -0.0037114500000000, 0.0013480500000000 ] - [ 0.0008682300000000, -0.0036222300000000, 0.0013924000000000 ] - [ -0.0001226700000000, 0.0002981400000000, 0.0000774700000000 ] - [ -0.0001755800000000, 0.0002468700000000, -0.0002019000000000 ] - [ 0.0001650900000000, 0.0002488100000000, 0.0001125400000000 ] - [ -0.0000182700000000, -0.0002287700000000, -0.0001415400000000 ] - [ 0.0000090100000000, -0.0006357400000000, 0.0001272800000000 ] - [ -0.0007611500000000, -0.0002977100000000, -0.0008207700000000 ] - [ -0.0002295900000000, -0.0002300500000000, -0.0000800300000000 ] - [ 0.0000342300000000, -0.0006632800000000, 0.0002088400000000 ] - [ -0.0005959100000000, -0.0002973500000000, 0.0007195600000000 ] - [ -0.0000103400000000, -0.0001985300000000, 0.0000606500000000 ] - [ -0.0011320500000000, 0.0014338200000000, -0.0006352800000000 ] - [ 0.0000039400000000, -0.0021106800000000, -0.0004994900000000 ] - [ 0.0000631500000000, -0.0010609400000000, -0.0032459600000000 ] - [ -0.0001175300000000, -0.0001214000000000, -0.0001239100000000 ] - [ -0.0000515300000000, 0.0006589800000000, 0.0000228200000000 ] - [ -0.0013207700000000, 0.0017550600000000, -0.0002239500000000 ] - [ 0.0012018700000000, 0.0018193000000000, -0.0006669300000000 ] - [ -0.0000880700000000, 0.0012145400000000, -0.0000081400000000 ] - [ -0.0004787000000000, 0.0018823200000000, 0.0007640600000000 ] - [ 0.0000256400000000, 0.0007295300000000, -0.0000000100000000 ] - [ 0.0000773100000000, 0.0007508400000000, 0.0000378500000000 ] - [ 0.0000044100000000, 0.0006525900000000, -0.0000573000000000 ] - [ 0.0100688800000000, 0.0070677300000000, -0.0008885800000000 ] - [ 0.0004795000000000, -0.0004527900000000, -0.0005983400000000 ] - [ -0.0095466100000000, 0.0070193500000000, -0.0012075800000000 ] - [ -0.0001080500000000, 0.0003323000000000, -0.0001704900000000 ] - [ 0.0002142300000000, 0.0019901200000000, -0.0001095700000000 ] - [ 0.0000942100000000, 0.0001613200000000, -0.0002838800000000 ] - [ 0.0011299700000000, 0.0013441500000000, -0.0002025100000000 ] - [ 0.0000729000000000, 0.0008065600000000, -0.0000418000000000 ] - [ 0.0006418300000000, 0.0011189400000000, 0.0007034500000000 ] - [ -0.0001671200000000, 0.0025188600000000, 0.0005073000000000 ] - [ 0.0010136100000000, -0.0001944900000000, -0.0008343800000000 ] - [ 0.0000655600000000, 0.0013172800000000, -0.0000641000000000 ] - [ 0.0001778700000000, 0.0027941600000000, -0.0004014300000000 ] - [ 0.0001643000000000, 0.0001742400000000, -0.0001226800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000456100000000, -0.0001993500000000, 0.0001486700000000 ] - [ -0.0000638500000000, -0.0007048600000000, -0.0000731600000000 ] - [ 0.0000088700000000, 0.0004073900000000, 0.0001715400000000 ] - [ -0.0000163900000000, -0.0004372900000000, -0.0000959800000000 ] - [ -0.0009873200000000, -0.0005474900000000, 0.0008068700000000 ] - [ 0.0019788800000000, -0.0003416300000000, 0.0013449500000000 ] - [ -0.0002139100000000, 0.0004944300000000, 0.0001824200000000 ] - [ -0.0000282400000000, 0.0004115800000000, -0.0000519000000000 ] - [ -0.0000688000000000, -0.0003061900000000, 0.0001934600000000 ] - [ -0.0000030100000000, 0.0002204900000000, -0.0000017700000000 ] - [ 0.0002254700000000, 0.0004244700000000, 0.0001830100000000 ] - [ -0.0003408000000000, 0.0005037300000000, 0.0004149700000000 ] - [ -0.0000007200000000, -0.0041797900000000, -0.0018953500000000 ] - [ 0.0001722900000000, -0.0022401400000000, 0.0009878400000000 ] - [ 0.0000328400000000, 0.0013392300000000, -0.0007638300000000 ] - [ -0.0000604600000000, -0.0005200100000000, 0.0002523700000000 ] - [ 0.0006861000000000, -0.0005807600000000, -0.0003980200000000 ] - [ -0.0007275200000000, -0.0004815600000000, -0.0005483100000000 ] - [ -0.0000182100000000, 0.0008928200000000, -0.0008205800000000 ] - [ 0.0000006300000000, 0.0020188100000000, 0.0002745200000000 ] - [ -0.0000781100000000, -0.0051647000000000, -0.0007767300000000 ] - [ 0.0005003300000000, 0.0035083000000000, 0.0002355800000000 ] - [ -0.0008307000000000, 0.0015339200000000, -0.0010712200000000 ] - [ 0.0008002000000000, 0.0010976100000000, -0.0004654700000000 ] - [ 0.0008032800000000, -0.0102329400000000, 0.0009255800000000 ] - [ 0.0026306700000000, -0.0002222200000000, -0.0002614200000000 ] - [ 0.0038669900000000, -0.0003210500000000, 0.0029768600000000 ] - [ 0.0000076200000000, -0.0013980300000000, -0.0000794200000000 ] - [ 0.0000311100000000, 0.0007815900000000, 0.0000671400000000 ] - [ -0.0001792600000000, 0.0001703000000000, -0.0000122900000000 ] - [ -0.0007062400000000, 0.0006445000000000, 0.0007877400000000 ] - [ -0.0001033700000000, 0.0006796800000000, 0.0000162000000000 ] - [ -0.0000138900000000, -0.0005844500000000, 0.0001964900000000 ] - [ -0.0001828600000000, -0.0002541400000000, 0.0001059900000000 ] - [ -0.0004349900000000, -0.0003504800000000, -0.0004209300000000 ] - [ -0.0003056600000000, -0.0018344200000000, 0.0004397100000000 ] - [ 0.0002469500000000, 0.0018863100000000, 0.0000882400000000 ] - [ 0.0012701100000000, 0.0047760500000000, 0.0001293200000000 ] - [ 0.0009115500000000, 0.0005265900000000, -0.0006888800000000 ] - [ -0.0000357800000000, 0.0024243200000000, -0.0002980800000000 ] - [ 0.0002679000000000, 0.0001252000000000, 0.0002878900000000 ] - [ 0.0017074000000000, 0.0014886200000000, 0.0018059700000000 ] - [ 0.0003934800000000, 0.0006959000000000, 0.0003254900000000 ] - [ 0.0000598700000000, -0.0000309000000000, -0.0000323900000000 ] - [ 0.0000801100000000, 0.0002675300000000, 0.0000804500000000 ] - [ -0.0002253800000000, 0.0006005700000000, 0.0002761500000000 ] - [ 0.0000365400000000, 0.0003323700000000, 0.0000241200000000 ] - [ -0.0000116600000000, 0.0003628500000000, -0.0000594200000000 ] - [ 0.0000091900000000, 0.0003934400000000, 0.0000269100000000 ] - [ 0.0002622300000000, 0.0005893600000000, 0.0003052700000000 ] - [ -0.0020978800000000, 0.0016202700000000, 0.0020657600000000 ] - [ -0.0014784400000000, 0.0014823600000000, 0.0017564600000000 ] - [ -0.0004268400000000, -0.0006036800000000, 0.0003823900000000 ] - [ -0.0005657800000000, 0.0000840900000000, -0.0002975000000000 ] - [ -0.0002326500000000, -0.0007102500000000, -0.0000823000000000 ] - [ -0.0241335300000000, -0.0267801300000000, -0.0220483600000000 ] - [ -0.0020257400000000, -0.0029205300000000, -0.0018902100000000 ] - [ 0.0000685000000000, -0.0005075300000000, -0.0001593100000000 ] - [ 0.0018924000000000, -0.0029030400000000, -0.0020877400000000 ] - [ 0.0196899900000000, -0.0246451700000000, -0.0192533600000000 ] - [ -0.0014391200000000, 0.0009266500000000, -0.0011539100000000 ] - [ -0.0001998100000000, 0.0000149400000000, -0.0001966100000000 ] - [ -0.0003943500000000, 0.0007347800000000, -0.0004809700000000 ] - [ -0.0013048200000000, 0.0029874600000000, 0.0004184300000000 ] - [ -0.0003290200000000, 0.0016165400000000, -0.0003451800000000 ] - [ 0.0000166400000000, 0.0004992000000000, -0.0000820400000000 ] - [ -0.0002574000000000, 0.0008688400000000, -0.0000384700000000 ] - [ 0.0001281800000000, 0.0010022300000000, 0.0000219200000000 ] - [ 0.0001289100000000, 0.0009010600000000, -0.0001094700000000 ] - [ -0.0002188200000000, 0.0005142500000000, -0.0001676800000000 ] - [ 0.0002621200000000, 0.0002534900000000, -0.0002099300000000 ] - [ 0.0000861000000000, 0.0000828800000000, -0.0001317200000000 ] - [ 0.0002421200000000, -0.0007060500000000, 0.0000203500000000 ] - [ 0.0001734900000000, 0.0000601700000000, 0.0004511100000000 ] - [ 0.0000306300000000, -0.0005433400000000, -0.0003366400000000 ] - [ -0.0000104900000000, -0.0002818100000000, -0.0000036300000000 ] - [ 0.0001840100000000, -0.0004524000000000, 0.0001958500000000 ] - [ -0.0015459400000000, -0.0025779900000000, 0.0020321300000000 ] - [ -0.0001521900000000, -0.0004962000000000, 0.0002121400000000 ] - [ -0.0000001700000000, -0.0002749400000000, 0.0000164200000000 ] - [ 0.0035438100000000, 0.0902979800000000, 0.0551529100000000 ] - [ 0.0063883300000000, -0.0026441100000000, -0.0001049700000000 ] - [ -0.0010013700000000, 0.0005621600000000, -0.0005100600000000 ] - [ -0.0001596700000000, 0.0017377800000000, -0.0000051000000000 ] - [ 0.0005800500000000, 0.0006466800000000, 0.0005438900000000 ] - [ -0.0000915900000000, 0.0029121100000000, -0.0002089500000000 ] - [ 0.0000266900000000, 0.0005279900000000, -0.0000574600000000 ] - [ 0.0000042100000000, 0.0004568200000000, -0.0000349800000000 ] - [ -0.0003841000000000, -0.0007766600000000, 0.0000232100000000 ] - [ -0.0005569000000000, -0.0011641000000000, -0.0003208700000000 ] - [ 0.0008230300000000, -0.0008329500000000, -0.0001412500000000 ] - [ 0.0011970700000000, -0.0061210700000000, -0.0084569600000000 ] - [ 0.0003549400000000, 0.0002211600000000, -0.0000454400000000 ] - [ -0.0005686400000000, 0.0002798000000000, -0.0010364600000000 ] - [ -0.0075141600000000, -0.0022765000000000, -0.0012586700000000 ] - [ -0.0001085000000000, 0.0031437300000000, -0.0002137400000000 ] - [ -0.0002715700000000, 0.0002791300000000, 0.0005182100000000 ] - [ -0.0006365600000000, 0.0001768700000000, 0.0000038900000000 ] - [ -0.0002314900000000, -0.0002798800000000, -0.0002524900000000 ] - [ 0.0000369900000000, 0.0006208000000000, 0.0000056200000000 ] - [ -0.0001569600000000, 0.0002516600000000, -0.0000488100000000 ] - [ -0.0012964300000000, -0.0056289100000000, -0.0079407100000000 ] - [ 0.0000081600000000, -0.0007404700000000, -0.0001329500000000 ] - [ -0.0001588700000000, -0.0004558900000000, -0.0000389400000000 ] - [ 0.0002709000000000, -0.0003075600000000, -0.0001382900000000 ] - [ 0.0000180600000000, -0.0003252600000000, 0.0000078400000000 ] - [ -0.0001645000000000, -0.0003931600000000, 0.0001040500000000 ] - [ -0.0000837500000000, -0.0007316300000000, 0.0001448300000000 ] - [ 0.0000450100000000, -0.0007096600000000, -0.0000300500000000 ] - [ 0.0000972800000000, -0.0006720000000000, -0.0000918600000000 ] - [ 0.0001408700000000, 0.0001793300000000, -0.0000068000000000 ] - [ 0.0006386900000000, 0.0003294300000000, -0.0006425800000000 ] - [ -0.0002008100000000, 0.0001408400000000, 0.0000326600000000 ] - [ -0.0002310900000000, -0.0012253400000000, -0.0009589400000000 ] - [ 0.0000310300000000, -0.0003465200000000, -0.0000375900000000 ] - [ 0.0007731600000000, -0.0010829800000000, -0.0006580000000000 ] - [ 0.0001726100000000, -0.0003389800000000, -0.0001815800000000 ] - [ 0.0000735800000000, -0.0006691900000000, -0.0000571900000000 ] - [ 0.0002433700000000, -0.0001204800000000, 0.0002493200000000 ] - [ 0.0000294400000000, -0.0000719500000000, -0.0000143200000000 ] - [ 0.0007204200000000, 0.0003601600000000, -0.0006495700000000 ] - [ 0.0000079100000000, -0.0003383900000000, 0.0000043600000000 ] - [ 0.0000563100000000, -0.0002360200000000, -0.0001045000000000 ] - [ 0.0002081500000000, -0.0012196700000000, -0.0011048700000000 ] - [ 0.0000346500000000, 0.0002724300000000, -0.0000585800000000 ] - [ -0.0001690600000000, 0.0002773500000000, -0.0000956700000000 ] - [ 0.0009049500000000, 0.0006559300000000, 0.0007094000000000 ] - [ -0.0000434400000000, 0.0005901500000000, -0.0000344700000000 ] - [ -0.0006216500000000, 0.0006187000000000, -0.0007995500000000 ] - [ 0.0001804400000000, 0.0005804000000000, -0.0001928900000000 ] - [ 0.0011636800000000, 0.0036648300000000, -0.0013098500000000 ] - [ -0.0008766900000000, 0.0036217500000000, -0.0015062000000000 ] - [ 0.0001472800000000, -0.0003166400000000, -0.0001068000000000 ] - [ 0.0001539500000000, -0.0002670200000000, 0.0002255800000000 ] - [ -0.0001898500000000, -0.0002652700000000, -0.0000844600000000 ] - [ 0.0000266600000000, 0.0002218000000000, 0.0001484300000000 ] - [ 0.0000109600000000, 0.0006079600000000, -0.0001650000000000 ] - [ 0.0007125900000000, 0.0003610200000000, 0.0007664000000000 ] - [ 0.0001991100000000, 0.0002561000000000, 0.0000440000000000 ] - [ -0.0000713300000000, 0.0006290600000000, -0.0001850000000000 ] - [ 0.0006189700000000, 0.0003346200000000, -0.0006769200000000 ] - [ -0.0000298600000000, 0.0002580200000000, -0.0001111900000000 ] - [ 0.0011194000000000, -0.0013965200000000, 0.0006113400000000 ] - [ -0.0000625800000000, 0.0020764700000000, 0.0005472000000000 ] - [ -0.0000627800000000, 0.0010450900000000, 0.0032114200000000 ] - [ 0.0001514300000000, 0.0001402500000000, 0.0001388200000000 ] - [ 0.0000877000000000, -0.0007044700000000, -0.0000756400000000 ] - [ 0.0012945600000000, -0.0017340800000000, 0.0001911900000000 ] - [ -0.0011652300000000, -0.0017825100000000, 0.0006881800000000 ] - [ 0.0001063000000000, -0.0012010200000000, 0.0000239800000000 ] - [ 0.0005055600000000, -0.0018422700000000, -0.0007327800000000 ] - [ -0.0000570200000000, -0.0007626600000000, 0.0000309700000000 ] - [ -0.0000733800000000, -0.0007462400000000, -0.0000534300000000 ] - [ 0.0000196800000000, -0.0006720800000000, 0.0000402500000000 ] - [ -0.0099613100000000, -0.0070852400000000, 0.0008743000000000 ] - [ -0.0005170900000000, 0.0004247900000000, 0.0006324100000000 ] - [ 0.0096432900000000, -0.0070359300000000, 0.0012217600000000 ] - [ 0.0001126000000000, -0.0003170500000000, 0.0001841700000000 ] - [ -0.0001876000000000, -0.0020089600000000, 0.0000872000000000 ] - [ -0.0001275000000000, -0.0001308000000000, 0.0002745500000000 ] - [ -0.0011545700000000, -0.0013088000000000, 0.0001758700000000 ] - [ -0.0001025300000000, -0.0008356000000000, 0.0000673700000000 ] - [ -0.0006045700000000, -0.0010833200000000, -0.0006683200000000 ] - [ 0.0001739800000000, -0.0024588800000000, -0.0005472300000000 ] - [ -0.0010155000000000, 0.0002315600000000, 0.0008285200000000 ] - [ -0.0001325300000000, -0.0013091300000000, 0.0000621100000000 ] - [ -0.0001784100000000, -0.0027947600000000, 0.0004042600000000 ] - [ -0.0001255500000000, -0.0001358500000000, 0.0001639600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008476800000000, 0.0001105400000000, 0.0000588900000000 ] - [ -0.0024886200000000, -0.0001854200000000, 0.0007068300000000 ] - [ -0.0008476800000000, 0.0000588900000000, 0.0001105400000000 ] - [ -0.0024886200000000, 0.0007068300000000, -0.0001854200000000 ] - [ -0.0013837400000000, 0.0019056400000000, 0.0019056400000000 ] - [ -0.0027363900000000, -0.0015591400000000, -0.0015591400000000 ] - [ -0.0012286200000000, -0.0001434700000000, -0.0001023900000000 ] - [ -0.0004875800000000, 0.0000425800000000, -0.0000729300000000 ] - [ -0.0012286200000000, -0.0001023900000000, -0.0001434700000000 ] - [ -0.0004875800000000, -0.0000729300000000, 0.0000425800000000 ] - [ -0.0001679600000000, -0.0003415400000000, -0.0003415400000000 ] - [ -0.0003689000000000, 0.0003744400000000, 0.0003744400000000 ] - [ 0.0073278000000000, 0.0002744500000000, -0.0003204000000000 ] - [ 0.0024418400000000, -0.0000978700000000, 0.0003415500000000 ] - [ 0.0005889200000000, -0.0000309200000000, -0.0000502800000000 ] - [ 0.0008181200000000, 0.0000584600000000, 0.0000207800000000 ] - [ -0.0000378100000000, -0.0011053800000000, 0.0010847400000000 ] - [ 0.0002992500000000, 0.0008292400000000, -0.0010475900000000 ] - [ 0.0005889200000000, -0.0000502800000000, -0.0000309200000000 ] - [ 0.0008181200000000, 0.0000207800000000, 0.0000584600000000 ] - [ 0.0073278000000000, -0.0003204000000000, 0.0002744500000000 ] - [ 0.0024418400000000, 0.0003415500000000, -0.0000978700000000 ] - [ -0.0000378100000000, 0.0010847400000000, -0.0011053800000000 ] - [ 0.0002992500000000, -0.0010475900000000, 0.0008292400000000 ] - [ 0.0438263700000000, -0.0019427500000000, -0.0019427500000000 ] - [ -0.0043686400000000, -0.0047851800000000, 0.0003452300000000 ] - [ 0.0020493100000000, -0.0046013100000000, -0.0046013100000000 ] - [ -0.0043686400000000, 0.0003452300000000, -0.0047851800000000 ] - [ 0.0003884100000000, -0.0000027900000000, -0.0000027900000000 ] - [ -0.0003236800000000, 0.0001964700000000, -0.0000416100000000 ] - [ 0.0006593100000000, 0.0004025600000000, 0.0004025600000000 ] - [ -0.0003236800000000, -0.0000416100000000, 0.0001964700000000 ] - [ -0.0008980500000000, -0.0000103500000000, 0.0001603900000000 ] - [ 0.0004056200000000, 0.0003510900000000, 0.0002938700000000 ] - [ -0.0010136600000000, 0.0005477000000000, -0.0007947300000000 ] - [ 0.0008925900000000, 0.0002080400000000, -0.0043062100000000 ] - [ -0.0008980500000000, 0.0001603900000000, -0.0000103500000000 ] - [ 0.0008925900000000, -0.0043062100000000, 0.0002080400000000 ] - [ -0.0010136600000000, -0.0007947300000000, 0.0005477000000000 ] - [ 0.0004056200000000, 0.0002938700000000, 0.0003510900000000 ] - [ -0.0001855400000000, -0.0002686000000000, -0.0002100600000000 ] - [ 0.0005614100000000, -0.0004364800000000, -0.0004364800000000 ] - [ -0.0001855400000000, -0.0002100600000000, -0.0002686000000000 ] - [ -0.0004499700000000, -0.0000144100000000, -0.0000118700000000 ] - [ -0.0003180900000000, -0.0000643000000000, -0.0000643000000000 ] - [ 0.0002371900000000, 0.0000650400000000, 0.0000650400000000 ] - [ -0.0000562800000000, -0.0000817000000000, 0.0000897400000000 ] - [ -0.0004499700000000, -0.0000118700000000, -0.0000144100000000 ] - [ -0.0000562800000000, 0.0000897400000000, -0.0000817000000000 ] - [ 0.0002356100000000, -0.0000667400000000, -0.0000667400000000 ] - [ -0.0019297000000000, 0.0017368100000000, 0.0019832600000000 ] - [ 0.0006543500000000, 0.0005192900000000, 0.0005192900000000 ] - [ -0.0019297000000000, 0.0019832600000000, 0.0017368100000000 ] - [ -0.0014487500000000, -0.0000183700000000, 0.0001563300000000 ] - [ -0.0022110900000000, 0.0001902400000000, 0.0001902400000000 ] - [ 0.0297146500000000, 0.0244524000000000, 0.0244524000000000 ] - [ -0.0038594000000000, 0.0006211100000000, -0.0003196900000000 ] - [ -0.0014487500000000, 0.0001563300000000, -0.0000183700000000 ] - [ -0.0038594000000000, -0.0003196900000000, 0.0006211100000000 ] - [ 0.0239982700000000, -0.0200287900000000, -0.0200287900000000 ] - [ -0.0010426100000000, 0.0021202700000000, -0.0016106700000000 ] - [ -0.0007901700000000, 0.0003769600000000, -0.0004824500000000 ] - [ -0.0000423600000000, 0.0001935300000000, -0.0002053800000000 ] - [ 0.0026165100000000, 0.0017830200000000, 0.0018640100000000 ] - [ 0.0006854200000000, 0.0002324700000000, 0.0000420100000000 ] - [ -0.0006281000000000, -0.0001961100000000, 0.0002667200000000 ] - [ 0.0000993000000000, 0.0004705800000000, 0.0001915000000000 ] - [ 0.0006257500000000, -0.0000507600000000, -0.0002294200000000 ] - [ 0.0000746600000000, -0.0004960200000000, -0.0001911100000000 ] - [ -0.0006126500000000, 0.0002804100000000, -0.0002368500000000 ] - [ -0.0000423600000000, -0.0002053800000000, 0.0001935300000000 ] - [ -0.0007901700000000, -0.0004824500000000, 0.0003769600000000 ] - [ -0.0010426100000000, -0.0016106700000000, 0.0021202700000000 ] - [ 0.0006257500000000, -0.0002294200000000, -0.0000507600000000 ] - [ 0.0006854200000000, 0.0000420100000000, 0.0002324700000000 ] - [ -0.0006281000000000, 0.0002667200000000, -0.0001961100000000 ] - [ 0.0000746600000000, -0.0001911100000000, -0.0004960200000000 ] - [ 0.0026165100000000, 0.0018640100000000, 0.0017830200000000 ] - [ 0.0000993000000000, 0.0001915000000000, 0.0004705800000000 ] - [ -0.0006126500000000, -0.0002368500000000, 0.0002804100000000 ] - [ -0.1565165600000000, -0.0047824800000000, -0.0047824800000000 ] - [ 0.0026243000000000, -0.0100616500000000, 0.0002171100000000 ] - [ 0.0010116600000000, 0.0012881700000000, 0.0012881700000000 ] - [ 0.0025572300000000, -0.0002031800000000, -0.0002031800000000 ] - [ 0.0011182400000000, -0.0012379000000000, 0.0010280700000000 ] - [ 0.0026243000000000, 0.0002171100000000, -0.0100616500000000 ] - [ 0.0010034300000000, -0.0000908300000000, -0.0011230300000000 ] - [ 0.0007852100000000, -0.0000268100000000, 0.0016655100000000 ] - [ 0.0007852100000000, 0.0016655100000000, -0.0000268100000000 ] - [ -0.0006462400000000, 0.0012442700000000, 0.0004902700000000 ] - [ 0.0010034300000000, -0.0011230300000000, -0.0000908300000000 ] - [ -0.0032510900000000, 0.0014035400000000, 0.0014035400000000 ] - [ 0.0177980000000000, 0.0017682400000000, 0.0017682400000000 ] - [ -0.0006462400000000, 0.0004902700000000, 0.0012442700000000 ] - [ 0.0042020900000000, 0.0095822500000000, 0.0013371600000000 ] - [ 0.0042020900000000, 0.0013371600000000, 0.0095822500000000 ] - [ 0.0011182400000000, 0.0010280700000000, -0.0012379000000000 ] - [ 0.0029161300000000, 0.0006454500000000, 0.0000003200000000 ] - [ 0.0003888700000000, 0.0002241000000000, 0.0002241000000000 ] - [ 0.0029161300000000, 0.0000003200000000, 0.0006454500000000 ] - [ 0.0018089700000000, -0.0002331100000000, -0.0002331100000000 ] - [ -0.0035665600000000, -0.0012892000000000, -0.0012892000000000 ] - [ -0.0003909900000000, 0.0000015200000000, 0.0000015200000000 ] - [ -0.0002978800000000, 0.0001891700000000, -0.0000251200000000 ] - [ 0.0001186700000000, -0.0002125800000000, -0.0002125800000000 ] - [ 0.0002277900000000, -0.0000034600000000, -0.0000034600000000 ] - [ 0.0002692500000000, 0.0002343500000000, -0.0002610700000000 ] - [ -0.0002978800000000, -0.0000251200000000, 0.0001891700000000 ] - [ 0.0002458100000000, 0.0000536100000000, 0.0001841900000000 ] - [ 0.0003166200000000, 0.0000337800000000, -0.0002275800000000 ] - [ 0.0003166200000000, -0.0002275800000000, 0.0000337800000000 ] - [ -0.0006253000000000, -0.0006699300000000, -0.0006803100000000 ] - [ 0.0002458100000000, 0.0001841900000000, 0.0000536100000000 ] - [ -0.0007027200000000, -0.0002073100000000, -0.0002073100000000 ] - [ 0.0000767300000000, -0.0000532500000000, -0.0000532500000000 ] - [ -0.0006253000000000, -0.0006803100000000, -0.0006699300000000 ] - [ -0.0001882000000000, -0.0001239000000000, -0.0000716200000000 ] - [ -0.0001882000000000, -0.0000716200000000, -0.0001239000000000 ] - [ 0.0002692500000000, -0.0002610700000000, 0.0002343500000000 ] - [ 0.0004269500000000, -0.0000191200000000, 0.0000131100000000 ] - [ 0.0016163800000000, -0.0004097300000000, -0.0004097300000000 ] - [ 0.0004269500000000, 0.0000131100000000, -0.0000191200000000 ] - [ 0.0005320900000000, 0.0000219700000000, 0.0000219700000000 ] - [ -0.0007243400000000, 0.0002149600000000, 0.0002149600000000 ] - [ 0.0009701600000000, -0.0000323400000000, -0.0000701300000000 ] - [ 0.0004500600000000, 0.0001924200000000, -0.0000856600000000 ] - [ -0.0002071100000000, -0.0006471400000000, 0.0004434900000000 ] - [ -0.0004880200000000, 0.0000249900000000, 0.0000729800000000 ] - [ -0.0003469000000000, 0.0006734200000000, 0.0006750700000000 ] - [ 0.0017343400000000, 0.0001856700000000, -0.0009467700000000 ] - [ 0.0063212400000000, 0.0014657800000000, -0.0088285900000000 ] - [ 0.0070777900000000, -0.0014462300000000, 0.0099342900000000 ] - [ -0.0001656100000000, -0.0002409100000000, -0.0000727200000000 ] - [ 0.0003911000000000, -0.0002354600000000, 0.0002255400000000 ] - [ -0.0001905400000000, 0.0001971600000000, -0.0000006700000000 ] - [ 0.0008779100000000, 0.0000022100000000, 0.0000807900000000 ] - [ -0.0000115300000000, -0.0001434400000000, 0.0007960600000000 ] - [ 0.0018645800000000, -0.0007033500000000, 0.0008387300000000 ] - [ 0.0002855900000000, -0.0001660700000000, 0.0000920000000000 ] - [ 0.0010551800000000, -0.0002450300000000, 0.0008333300000000 ] - [ -0.0004408800000000, -0.0008039800000000, -0.0008333600000000 ] - [ -0.0007288200000000, 0.0000047700000000, -0.0000856900000000 ] - [ -0.0007577300000000, -0.0006564500000000, 0.0006155500000000 ] - [ -0.0019972800000000, -0.0000201100000000, -0.0001557200000000 ] - [ -0.0009923600000000, 0.0001058500000000, -0.0000556800000000 ] - [ 0.0009510500000000, 0.0001360700000000, -0.0001357000000000 ] - [ 0.0009701600000000, -0.0000701300000000, -0.0000323400000000 ] - [ 0.0017343400000000, -0.0009467700000000, 0.0001856700000000 ] - [ -0.0002071100000000, 0.0004434900000000, -0.0006471400000000 ] - [ -0.0004880200000000, 0.0000729800000000, 0.0000249900000000 ] - [ -0.0004408800000000, -0.0008333600000000, -0.0008039800000000 ] - [ 0.0004500600000000, -0.0000856600000000, 0.0001924200000000 ] - [ -0.0001905400000000, -0.0000006700000000, 0.0001971600000000 ] - [ -0.0001656100000000, -0.0000727200000000, -0.0002409100000000 ] - [ 0.0070777900000000, 0.0099342900000000, -0.0014462300000000 ] - [ 0.0018645800000000, 0.0008387300000000, -0.0007033500000000 ] - [ 0.0063212400000000, -0.0088285900000000, 0.0014657800000000 ] - [ 0.0008779100000000, 0.0000807900000000, 0.0000022100000000 ] - [ -0.0000115300000000, 0.0007960600000000, -0.0001434400000000 ] - [ 0.0003911000000000, 0.0002255400000000, -0.0002354600000000 ] - [ 0.0010551800000000, 0.0008333300000000, -0.0002450300000000 ] - [ 0.0002855900000000, 0.0000920000000000, -0.0001660700000000 ] - [ -0.0003469000000000, 0.0006750700000000, 0.0006734200000000 ] - [ -0.0019972800000000, -0.0001557200000000, -0.0000201100000000 ] - [ -0.0007577300000000, 0.0006155500000000, -0.0006564500000000 ] - [ -0.0007288200000000, -0.0000856900000000, 0.0000047700000000 ] - [ -0.0009923600000000, -0.0000556800000000, 0.0001058500000000 ] - [ 0.0009510500000000, -0.0001357000000000, 0.0001360700000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008525000000000, -0.0001187100000000, -0.0000782900000000 ] - [ 0.0025102600000000, 0.0001847400000000, -0.0007005000000000 ] - [ 0.0008525000000000, -0.0000782900000000, -0.0001187100000000 ] - [ 0.0025102600000000, -0.0007005000000000, 0.0001847400000000 ] - [ 0.0013708400000000, -0.0019196300000000, -0.0019196300000000 ] - [ 0.0027800300000000, 0.0015623600000000, 0.0015623600000000 ] - [ 0.0012436000000000, 0.0001354300000000, 0.0000871600000000 ] - [ 0.0004954200000000, -0.0000377100000000, 0.0000886800000000 ] - [ 0.0012436000000000, 0.0000871600000000, 0.0001354300000000 ] - [ 0.0004954200000000, 0.0000886800000000, -0.0000377100000000 ] - [ 0.0001643300000000, 0.0003395900000000, 0.0003395900000000 ] - [ 0.0004144600000000, -0.0003662000000000, -0.0003662000000000 ] - [ -0.0073696200000000, -0.0002591800000000, 0.0002975200000000 ] - [ -0.0024583300000000, 0.0001350600000000, -0.0003615000000000 ] - [ -0.0005926900000000, 0.0000334000000000, 0.0000522800000000 ] - [ -0.0008219800000000, -0.0000656700000000, 0.0000036100000000 ] - [ 0.0000419300000000, 0.0011046100000000, -0.0010890400000000 ] - [ -0.0003045700000000, -0.0008434500000000, 0.0010390500000000 ] - [ -0.0005926900000000, 0.0000522800000000, 0.0000334000000000 ] - [ -0.0008219800000000, 0.0000036100000000, -0.0000656700000000 ] - [ -0.0073696200000000, 0.0002975200000000, -0.0002591800000000 ] - [ -0.0024583300000000, -0.0003615000000000, 0.0001350600000000 ] - [ 0.0000419300000000, -0.0010890400000000, 0.0011046100000000 ] - [ -0.0003045700000000, 0.0010390500000000, -0.0008434500000000 ] - [ -0.0474330100000000, 0.0020374600000000, 0.0020374600000000 ] - [ 0.0043790300000000, 0.0048196500000000, -0.0003262500000000 ] - [ -0.0020747200000000, 0.0046147900000000, 0.0046147900000000 ] - [ 0.0043790300000000, -0.0003262500000000, 0.0048196500000000 ] - [ -0.0003588300000000, 0.0000397200000000, 0.0000397200000000 ] - [ 0.0002897300000000, -0.0002406000000000, 0.0000575500000000 ] - [ -0.0006465900000000, -0.0004218900000000, -0.0004218900000000 ] - [ 0.0002897300000000, 0.0000575500000000, -0.0002406000000000 ] - [ 0.0009304100000000, 0.0000321700000000, -0.0001400800000000 ] - [ -0.0004455700000000, -0.0003745600000000, -0.0002624000000000 ] - [ 0.0010452300000000, -0.0005833400000000, 0.0007660300000000 ] - [ -0.0009087500000000, -0.0001748000000000, 0.0042956500000000 ] - [ 0.0009304100000000, -0.0001400800000000, 0.0000321700000000 ] - [ -0.0009087500000000, 0.0042956500000000, -0.0001748000000000 ] - [ 0.0010452300000000, 0.0007660300000000, -0.0005833400000000 ] - [ -0.0004455700000000, -0.0002624000000000, -0.0003745600000000 ] - [ 0.0001889400000000, 0.0002263500000000, 0.0002099100000000 ] - [ -0.0005656900000000, 0.0004339600000000, 0.0004339600000000 ] - [ 0.0001889400000000, 0.0002099100000000, 0.0002263500000000 ] - [ 0.0004750800000000, -0.0000082100000000, 0.0000396100000000 ] - [ 0.0003650500000000, 0.0000687500000000, 0.0000687500000000 ] - [ -0.0002572500000000, -0.0000404200000000, -0.0000404200000000 ] - [ 0.0000590300000000, 0.0000857400000000, -0.0000459500000000 ] - [ 0.0004750800000000, 0.0000396100000000, -0.0000082100000000 ] - [ 0.0000590300000000, -0.0000459500000000, 0.0000857400000000 ] - [ -0.0002758200000000, 0.0000659200000000, 0.0000659200000000 ] - [ 0.0019393100000000, -0.0017825600000000, -0.0019860900000000 ] - [ -0.0006619400000000, -0.0005547900000000, -0.0005547900000000 ] - [ 0.0019393100000000, -0.0019860900000000, -0.0017825600000000 ] - [ 0.0014807400000000, -0.0000035900000000, -0.0001328200000000 ] - [ 0.0022647400000000, -0.0001862400000000, -0.0001862400000000 ] - [ -0.0291023900000000, -0.0232878700000000, -0.0232878700000000 ] - [ 0.0038664400000000, -0.0006188800000000, 0.0003603000000000 ] - [ 0.0014807400000000, -0.0001328200000000, -0.0000035900000000 ] - [ 0.0038664400000000, 0.0003603000000000, -0.0006188800000000 ] - [ -0.0235187900000000, 0.0190616300000000, 0.0190616300000000 ] - [ 0.0010464300000000, -0.0021817300000000, 0.0016232300000000 ] - [ 0.0007655800000000, -0.0004093500000000, 0.0004624300000000 ] - [ 0.0000411700000000, -0.0001956500000000, 0.0001617500000000 ] - [ -0.0026336500000000, -0.0018008100000000, -0.0018709000000000 ] - [ -0.0006480900000000, -0.0002274200000000, -0.0000393000000000 ] - [ 0.0006071400000000, 0.0002212100000000, -0.0002451900000000 ] - [ -0.0001044100000000, -0.0004709300000000, -0.0001511800000000 ] - [ -0.0006097900000000, 0.0000667500000000, 0.0002126200000000 ] - [ -0.0000773100000000, 0.0005452600000000, 0.0001961300000000 ] - [ 0.0005721800000000, -0.0002858700000000, 0.0002373400000000 ] - [ 0.0000411700000000, 0.0001617500000000, -0.0001956500000000 ] - [ 0.0007655800000000, 0.0004624300000000, -0.0004093500000000 ] - [ 0.0010464300000000, 0.0016232300000000, -0.0021817300000000 ] - [ -0.0006097900000000, 0.0002126200000000, 0.0000667500000000 ] - [ -0.0006480900000000, -0.0000393000000000, -0.0002274200000000 ] - [ 0.0006071400000000, -0.0002451900000000, 0.0002212100000000 ] - [ -0.0000773100000000, 0.0001961300000000, 0.0005452600000000 ] - [ -0.0026336500000000, -0.0018709000000000, -0.0018008100000000 ] - [ -0.0001044100000000, -0.0001511800000000, -0.0004709300000000 ] - [ 0.0005721800000000, 0.0002373400000000, -0.0002858700000000 ] - [ 0.1592032400000000, 0.0045303400000000, 0.0045303400000000 ] - [ -0.0026384400000000, 0.0102056600000000, -0.0002386400000000 ] - [ -0.0009807500000000, -0.0012735200000000, -0.0012735200000000 ] - [ -0.0025733200000000, 0.0002100700000000, 0.0002100700000000 ] - [ -0.0011058500000000, 0.0012701400000000, -0.0010223000000000 ] - [ -0.0026384400000000, -0.0002386400000000, 0.0102056600000000 ] - [ -0.0010179000000000, 0.0000974500000000, 0.0011253300000000 ] - [ -0.0007597900000000, 0.0000003600000000, -0.0016925100000000 ] - [ -0.0007597900000000, -0.0016925100000000, 0.0000003600000000 ] - [ 0.0006313000000000, -0.0012644900000000, -0.0004696600000000 ] - [ -0.0010179000000000, 0.0011253300000000, 0.0000974500000000 ] - [ 0.0033042600000000, -0.0014860900000000, -0.0014860900000000 ] - [ -0.0180531200000000, -0.0018207500000000, -0.0018207500000000 ] - [ 0.0006313000000000, -0.0004696600000000, -0.0012644900000000 ] - [ -0.0042393800000000, -0.0096827400000000, -0.0013781500000000 ] - [ -0.0042393800000000, -0.0013781500000000, -0.0096827400000000 ] - [ -0.0011058500000000, -0.0010223000000000, 0.0012701400000000 ] - [ -0.0029481000000000, -0.0006367800000000, -0.0000163600000000 ] - [ -0.0003872200000000, -0.0002282400000000, -0.0002282400000000 ] - [ -0.0029481000000000, -0.0000163600000000, -0.0006367800000000 ] - [ -0.0018231200000000, 0.0002392800000000, 0.0002392800000000 ] - [ 0.0036488900000000, 0.0013758300000000, 0.0013758300000000 ] - [ 0.0004066000000000, -0.0000266600000000, -0.0000266600000000 ] - [ 0.0002767400000000, -0.0001693200000000, -0.0000028300000000 ] - [ -0.0000826400000000, 0.0002438600000000, 0.0002438600000000 ] - [ -0.0002265600000000, 0.0000046200000000, 0.0000046200000000 ] - [ -0.0002441500000000, -0.0002174800000000, 0.0002891300000000 ] - [ 0.0002767400000000, -0.0000028300000000, -0.0001693200000000 ] - [ -0.0002486700000000, -0.0000522500000000, -0.0001950700000000 ] - [ -0.0002894600000000, -0.0000571300000000, 0.0002262700000000 ] - [ -0.0002894600000000, 0.0002262700000000, -0.0000571300000000 ] - [ 0.0006161800000000, 0.0006646700000000, 0.0007041300000000 ] - [ -0.0002486700000000, -0.0001950700000000, -0.0000522500000000 ] - [ 0.0007279100000000, 0.0002173400000000, 0.0002173400000000 ] - [ -0.0000449600000000, 0.0000198900000000, 0.0000198900000000 ] - [ 0.0006161800000000, 0.0007041300000000, 0.0006646700000000 ] - [ 0.0001608900000000, 0.0001510700000000, 0.0000430100000000 ] - [ 0.0001608900000000, 0.0000430100000000, 0.0001510700000000 ] - [ -0.0002441500000000, 0.0002891300000000, -0.0002174800000000 ] - [ -0.0004462800000000, 0.0000439000000000, -0.0000377100000000 ] - [ -0.0016222800000000, 0.0003983700000000, 0.0003983700000000 ] - [ -0.0004462800000000, -0.0000377100000000, 0.0000439000000000 ] - [ -0.0005359500000000, -0.0000227400000000, -0.0000227400000000 ] - [ 0.0007601200000000, -0.0002096000000000, -0.0002096000000000 ] - [ -0.0009631700000000, 0.0000062900000000, 0.0000443200000000 ] - [ -0.0004788400000000, -0.0001731600000000, 0.0000595000000000 ] - [ 0.0002238600000000, 0.0006778100000000, -0.0004194400000000 ] - [ 0.0005030200000000, -0.0000203800000000, -0.0000670500000000 ] - [ 0.0003583800000000, -0.0006496900000000, -0.0006616300000000 ] - [ -0.0017622500000000, -0.0002086600000000, 0.0009656500000000 ] - [ -0.0063192700000000, -0.0014425100000000, 0.0087621900000000 ] - [ -0.0070400500000000, 0.0014187600000000, -0.0099002000000000 ] - [ 0.0001829000000000, 0.0002169000000000, 0.0000540900000000 ] - [ -0.0004122800000000, 0.0002155100000000, -0.0002087500000000 ] - [ 0.0001810600000000, -0.0002018700000000, 0.0000017200000000 ] - [ -0.0008830200000000, 0.0000108900000000, -0.0000639500000000 ] - [ 0.0000390000000000, 0.0001136500000000, -0.0008262500000000 ] - [ -0.0018927400000000, 0.0007246200000000, -0.0008594000000000 ] - [ -0.0003204000000000, 0.0001961000000000, -0.0001210400000000 ] - [ -0.0010896400000000, 0.0002172100000000, -0.0008022000000000 ] - [ 0.0004497600000000, 0.0008167800000000, 0.0008642600000000 ] - [ 0.0007105800000000, 0.0000142700000000, 0.0000649400000000 ] - [ 0.0007748800000000, 0.0006556700000000, -0.0006317800000000 ] - [ 0.0019870600000000, -0.0000032100000000, 0.0001704400000000 ] - [ 0.0009960900000000, -0.0001005300000000, 0.0000763100000000 ] - [ -0.0009401800000000, -0.0001197300000000, 0.0001580100000000 ] - [ -0.0009631700000000, 0.0000443200000000, 0.0000062900000000 ] - [ -0.0017622500000000, 0.0009656500000000, -0.0002086600000000 ] - [ 0.0002238600000000, -0.0004194400000000, 0.0006778100000000 ] - [ 0.0005030200000000, -0.0000670500000000, -0.0000203800000000 ] - [ 0.0004497600000000, 0.0008642600000000, 0.0008167800000000 ] - [ -0.0004788400000000, 0.0000595000000000, -0.0001731600000000 ] - [ 0.0001810600000000, 0.0000017200000000, -0.0002018700000000 ] - [ 0.0001829000000000, 0.0000540900000000, 0.0002169000000000 ] - [ -0.0070400500000000, -0.0099002000000000, 0.0014187600000000 ] - [ -0.0018927400000000, -0.0008594000000000, 0.0007246200000000 ] - [ -0.0063192700000000, 0.0087621900000000, -0.0014425100000000 ] - [ -0.0008830200000000, -0.0000639500000000, 0.0000108900000000 ] - [ 0.0000390000000000, -0.0008262500000000, 0.0001136500000000 ] - [ -0.0004122800000000, -0.0002087500000000, 0.0002155100000000 ] - [ -0.0010896400000000, -0.0008022000000000, 0.0002172100000000 ] - [ -0.0003204000000000, -0.0001210400000000, 0.0001961000000000 ] - [ 0.0003583800000000, -0.0006616300000000, -0.0006496900000000 ] - [ 0.0019870600000000, 0.0001704400000000, -0.0000032100000000 ] - [ 0.0007748800000000, -0.0006317800000000, 0.0006556700000000 ] - [ 0.0007105800000000, 0.0000649400000000, 0.0000142700000000 ] - [ 0.0009960900000000, 0.0000763100000000, -0.0001005300000000 ] - [ -0.0009401800000000, 0.0001580100000000, -0.0001197300000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001038300000000, 0.0002223700000000, -0.0001164600000000 ] - [ 0.0002731000000000, 0.0008676200000000, 0.0011345100000000 ] - [ 0.0001038300000000, -0.0001164600000000, 0.0002223700000000 ] - [ 0.0002731000000000, 0.0011345100000000, 0.0008676200000000 ] - [ 0.0007458300000000, -0.0000046700000000, -0.0000046700000000 ] - [ -0.0005421200000000, 0.0001306800000000, 0.0001306800000000 ] - [ -0.0037971100000000, -0.0074482200000000, 0.0022467100000000 ] - [ 0.0002333200000000, -0.0007025500000000, -0.0002662200000000 ] - [ -0.0037971100000000, 0.0022467100000000, -0.0074482200000000 ] - [ 0.0002333200000000, -0.0002662200000000, -0.0007025500000000 ] - [ 0.0056369500000000, 0.0008778500000000, 0.0008778500000000 ] - [ -0.0019397200000000, -0.0002268300000000, -0.0002268300000000 ] - [ -0.0009470200000000, -0.0012029500000000, -0.0002674200000000 ] - [ -0.0018083200000000, -0.0016112200000000, 0.0019788200000000 ] - [ -0.0002453500000000, 0.0002403500000000, 0.0002610500000000 ] - [ -0.0002102400000000, -0.0002347100000000, 0.0002018300000000 ] - [ -0.0010704100000000, 0.0000558800000000, -0.0000207800000000 ] - [ 0.0012321300000000, -0.0006764600000000, 0.0006439500000000 ] - [ -0.0002453500000000, 0.0002610500000000, 0.0002403500000000 ] - [ -0.0002102400000000, 0.0002018300000000, -0.0002347100000000 ] - [ -0.0009470200000000, -0.0002674200000000, -0.0012029500000000 ] - [ -0.0018083200000000, 0.0019788200000000, -0.0016112200000000 ] - [ -0.0010704100000000, -0.0000207800000000, 0.0000558800000000 ] - [ 0.0012321300000000, 0.0006439500000000, -0.0006764600000000 ] - [ 0.0016879600000000, -0.0042462400000000, -0.0042462400000000 ] - [ 0.0170433300000000, 0.0004323700000000, 0.0023242500000000 ] - [ 0.0254448000000000, 0.0008135100000000, 0.0008135100000000 ] - [ 0.0170433300000000, 0.0023242500000000, 0.0004323700000000 ] - [ 0.0004895800000000, 0.0004798000000000, 0.0004798000000000 ] - [ 0.0005569300000000, 0.0001361500000000, -0.0000549200000000 ] - [ 0.0003235900000000, -0.0000707400000000, -0.0000707400000000 ] - [ 0.0005569300000000, -0.0000549200000000, 0.0001361500000000 ] - [ -0.0011442200000000, 0.0004324000000000, -0.0008338600000000 ] - [ -0.0016974800000000, -0.0001285800000000, 0.0006253700000000 ] - [ -0.0005908700000000, -0.0000735700000000, 0.0001494600000000 ] - [ -0.0008368800000000, -0.0000117900000000, -0.0000985200000000 ] - [ -0.0011442200000000, -0.0008338600000000, 0.0004324000000000 ] - [ -0.0008368800000000, -0.0000985200000000, -0.0000117900000000 ] - [ -0.0005908700000000, 0.0001494600000000, -0.0000735700000000 ] - [ -0.0016974800000000, 0.0006253700000000, -0.0001285800000000 ] - [ -0.0003058100000000, 0.0000367400000000, -0.0000578200000000 ] - [ -0.0002684900000000, -0.0001011300000000, -0.0001011300000000 ] - [ -0.0003058100000000, -0.0000578200000000, 0.0000367400000000 ] - [ -0.0002357200000000, 0.0002418700000000, -0.0002251700000000 ] - [ -0.0000897600000000, -0.0000238100000000, -0.0000238100000000 ] - [ -0.0007192100000000, 0.0005077000000000, 0.0005077000000000 ] - [ -0.0003984700000000, 0.0000877400000000, 0.0000349200000000 ] - [ -0.0002357200000000, -0.0002251700000000, 0.0002418700000000 ] - [ -0.0003984700000000, 0.0000349200000000, 0.0000877400000000 ] - [ -0.0002720900000000, 0.0000763100000000, 0.0000763100000000 ] - [ -0.0021388700000000, -0.0002177300000000, 0.0001176600000000 ] - [ -0.0022945300000000, 0.0017253000000000, 0.0017253000000000 ] - [ -0.0021388700000000, 0.0001176600000000, -0.0002177300000000 ] - [ -0.0014483600000000, -0.0014340000000000, 0.0014989500000000 ] - [ -0.0043005100000000, 0.0011579000000000, 0.0011579000000000 ] - [ -0.0007065900000000, -0.0004094100000000, -0.0004094100000000 ] - [ -0.0013156000000000, -0.0001972200000000, -0.0000478000000000 ] - [ -0.0014483600000000, 0.0014989500000000, -0.0014340000000000 ] - [ -0.0013156000000000, -0.0000478000000000, -0.0001972200000000 ] - [ -0.0025331600000000, -0.0018368000000000, -0.0018368000000000 ] - [ 0.0009102000000000, -0.0002086100000000, 0.0001712000000000 ] - [ 0.0003469400000000, 0.0003657000000000, -0.0001304700000000 ] - [ 0.0006997600000000, 0.0002526500000000, -0.0001317200000000 ] - [ -0.0000492300000000, -0.0002205600000000, -0.0002104700000000 ] - [ 0.0001785000000000, 0.0004523200000000, -0.0001748000000000 ] - [ 0.0004683900000000, -0.0003503500000000, 0.0003662200000000 ] - [ 0.0006101300000000, 0.0001039500000000, -0.0001464300000000 ] - [ -0.0008554900000000, 0.0018951800000000, 0.0014153100000000 ] - [ 0.0027548300000000, 0.0015510700000000, -0.0016824400000000 ] - [ 0.0005582900000000, -0.0002261400000000, -0.0001779800000000 ] - [ 0.0006997600000000, -0.0001317200000000, 0.0002526500000000 ] - [ 0.0003469400000000, -0.0001304700000000, 0.0003657000000000 ] - [ 0.0009102000000000, 0.0001712000000000, -0.0002086100000000 ] - [ -0.0008554900000000, 0.0014153100000000, 0.0018951800000000 ] - [ 0.0001785000000000, -0.0001748000000000, 0.0004523200000000 ] - [ 0.0004683900000000, 0.0003662200000000, -0.0003503500000000 ] - [ 0.0027548300000000, -0.0016824400000000, 0.0015510700000000 ] - [ -0.0000492300000000, -0.0002104700000000, -0.0002205600000000 ] - [ 0.0006101300000000, -0.0001464300000000, 0.0001039500000000 ] - [ 0.0005582900000000, -0.0001779800000000, -0.0002261400000000 ] - [ 0.0009866000000000, 0.0010072100000000, 0.0010072100000000 ] - [ -0.0005761600000000, 0.0012965800000000, 0.0004985800000000 ] - [ -0.0819994900000000, 0.0057303600000000, 0.0057303600000000 ] - [ 0.0014670500000000, -0.0006601900000000, -0.0006601900000000 ] - [ -0.0002269200000000, -0.0018380900000000, 0.0000435500000000 ] - [ -0.0005761600000000, 0.0004985800000000, 0.0012965800000000 ] - [ -0.0006662700000000, -0.0001460000000000, 0.0000117800000000 ] - [ -0.0031429100000000, -0.0012730500000000, 0.0013870400000000 ] - [ -0.0031429100000000, 0.0013870400000000, -0.0012730500000000 ] - [ 0.0022647700000000, -0.0097004500000000, -0.0002356100000000 ] - [ -0.0006662700000000, 0.0000117800000000, -0.0001460000000000 ] - [ 0.0002108000000000, 0.0002360100000000, 0.0002360100000000 ] - [ -0.0049252500000000, -0.0009258600000000, -0.0009258600000000 ] - [ 0.0022647700000000, -0.0002356100000000, -0.0097004500000000 ] - [ 0.0025829000000000, 0.0008929600000000, 0.0118893500000000 ] - [ 0.0025829000000000, 0.0118893500000000, 0.0008929600000000 ] - [ -0.0002269200000000, 0.0000435500000000, -0.0018380900000000 ] - [ 0.0042114100000000, 0.0001209400000000, -0.0074436800000000 ] - [ 0.0002234500000000, 0.0000029700000000, 0.0000029700000000 ] - [ 0.0042114100000000, -0.0074436800000000, 0.0001209400000000 ] - [ -0.0001396700000000, -0.0002468000000000, -0.0002468000000000 ] - [ 0.0180837600000000, 0.0002882000000000, 0.0002882000000000 ] - [ 0.0001199400000000, -0.0002694100000000, -0.0002694100000000 ] - [ -0.0006549100000000, -0.0006499900000000, -0.0006979800000000 ] - [ -0.0003305900000000, 0.0000199700000000, 0.0000199700000000 ] - [ 0.0003458300000000, 0.0000998600000000, 0.0000998600000000 ] - [ -0.0006065600000000, 0.0001487700000000, -0.0000845200000000 ] - [ -0.0006549100000000, -0.0006979800000000, -0.0006499900000000 ] - [ -0.0016426900000000, 0.0000899400000000, 0.0001051700000000 ] - [ -0.0006317200000000, 0.0001759100000000, -0.0002426200000000 ] - [ -0.0006317200000000, -0.0002426200000000, 0.0001759100000000 ] - [ -0.0002586400000000, 0.0001748100000000, 0.0000685600000000 ] - [ -0.0016426900000000, 0.0001051700000000, 0.0000899400000000 ] - [ 0.0009619000000000, -0.0010255800000000, -0.0010255800000000 ] - [ -0.0005182100000000, -0.0000784800000000, -0.0000784800000000 ] - [ -0.0002586400000000, 0.0000685600000000, 0.0001748100000000 ] - [ -0.0003488500000000, -0.0001034900000000, -0.0001236300000000 ] - [ -0.0003488500000000, -0.0001236300000000, -0.0001034900000000 ] - [ -0.0006065600000000, -0.0000845200000000, 0.0001487700000000 ] - [ -0.0001787900000000, -0.0000847300000000, 0.0001896600000000 ] - [ 0.0028003700000000, 0.0000805900000000, 0.0000805900000000 ] - [ -0.0001787900000000, 0.0001896600000000, -0.0000847300000000 ] - [ 0.0005935600000000, 0.0025560200000000, 0.0025560200000000 ] - [ 0.0000660100000000, 0.0000383800000000, 0.0000383800000000 ] - [ -0.0001928300000000, -0.0009015000000000, 0.0011557300000000 ] - [ 0.0003315000000000, -0.0002175200000000, 0.0001598100000000 ] - [ 0.0007939700000000, 0.0000205300000000, -0.0001009200000000 ] - [ -0.0005684300000000, 0.0006340600000000, -0.0006003700000000 ] - [ 0.0003431900000000, 0.0000356000000000, 0.0000387800000000 ] - [ 0.0017856500000000, -0.0007076900000000, 0.0004412200000000 ] - [ 0.0020027300000000, 0.0009008800000000, -0.0002041400000000 ] - [ 0.0008432600000000, 0.0000424800000000, 0.0000954000000000 ] - [ 0.0006700800000000, -0.0000782800000000, -0.0001779600000000 ] - [ 0.0003528300000000, 0.0001200600000000, -0.0000664100000000 ] - [ 0.0003485600000000, -0.0000378900000000, -0.0000141000000000 ] - [ -0.0002470600000000, -0.0007029100000000, 0.0006580500000000 ] - [ 0.0009003400000000, 0.0001054600000000, -0.0001446500000000 ] - [ 0.0013089600000000, -0.0001724900000000, -0.0008272800000000 ] - [ 0.0013078800000000, 0.0000791800000000, 0.0005577000000000 ] - [ 0.0005179900000000, -0.0001235100000000, 0.0001418700000000 ] - [ 0.0020177800000000, 0.0001546700000000, -0.0007919300000000 ] - [ 0.0010583700000000, 0.0000582700000000, -0.0011571400000000 ] - [ -0.0004984400000000, 0.0000241500000000, -0.0000592200000000 ] - [ 0.0002913600000000, 0.0002037300000000, 0.0001056900000000 ] - [ 0.0003245700000000, 0.0007686700000000, -0.0003863900000000 ] - [ 0.0000045400000000, 0.0000241300000000, -0.0001828500000000 ] - [ -0.0001928300000000, 0.0011557300000000, -0.0009015000000000 ] - [ 0.0017856500000000, 0.0004412200000000, -0.0007076900000000 ] - [ 0.0007939700000000, -0.0001009200000000, 0.0000205300000000 ] - [ -0.0005684300000000, -0.0006003700000000, 0.0006340600000000 ] - [ 0.0020177800000000, -0.0007919300000000, 0.0001546700000000 ] - [ 0.0003315000000000, 0.0001598100000000, -0.0002175200000000 ] - [ 0.0003485600000000, -0.0000141000000000, -0.0000378900000000 ] - [ 0.0006700800000000, -0.0001779600000000, -0.0000782800000000 ] - [ 0.0008432600000000, 0.0000954000000000, 0.0000424800000000 ] - [ 0.0013089600000000, -0.0008272800000000, -0.0001724900000000 ] - [ 0.0020027300000000, -0.0002041400000000, 0.0009008800000000 ] - [ -0.0002470600000000, 0.0006580500000000, -0.0007029100000000 ] - [ 0.0009003400000000, -0.0001446500000000, 0.0001054600000000 ] - [ 0.0003528300000000, -0.0000664100000000, 0.0001200600000000 ] - [ 0.0005179900000000, 0.0001418700000000, -0.0001235100000000 ] - [ 0.0013078800000000, 0.0005577000000000, 0.0000791800000000 ] - [ 0.0003431900000000, 0.0000387800000000, 0.0000356000000000 ] - [ 0.0002913600000000, 0.0001056900000000, 0.0002037300000000 ] - [ -0.0004984400000000, -0.0000592200000000, 0.0000241500000000 ] - [ 0.0010583700000000, -0.0011571400000000, 0.0000582700000000 ] - [ 0.0003245700000000, -0.0003863900000000, 0.0007686700000000 ] - [ 0.0000045400000000, -0.0001828500000000, 0.0000241300000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001016200000000, -0.0002218700000000, 0.0001343700000000 ] - [ -0.0002678100000000, -0.0009086200000000, -0.0011081400000000 ] - [ -0.0001016200000000, 0.0001343700000000, -0.0002218700000000 ] - [ -0.0002678100000000, -0.0011081400000000, -0.0009086200000000 ] - [ -0.0007045200000000, 0.0000243700000000, 0.0000243700000000 ] - [ 0.0005218700000000, -0.0001256300000000, -0.0001256300000000 ] - [ 0.0037417500000000, 0.0074331800000000, -0.0022627600000000 ] - [ -0.0002203600000000, 0.0006999100000000, 0.0002783100000000 ] - [ 0.0037417500000000, -0.0022627600000000, 0.0074331800000000 ] - [ -0.0002203600000000, 0.0002783100000000, 0.0006999100000000 ] - [ -0.0055961300000000, -0.0009036800000000, -0.0009036800000000 ] - [ 0.0019165300000000, 0.0002840900000000, 0.0002840900000000 ] - [ 0.0009431500000000, 0.0011866800000000, 0.0002647800000000 ] - [ 0.0018203800000000, 0.0015688100000000, -0.0019152700000000 ] - [ 0.0002215500000000, -0.0002374400000000, -0.0002380500000000 ] - [ 0.0001993300000000, 0.0002127500000000, -0.0002158200000000 ] - [ 0.0010615800000000, -0.0000645800000000, 0.0000216500000000 ] - [ -0.0012396700000000, 0.0006816000000000, -0.0006503900000000 ] - [ 0.0002215500000000, -0.0002380500000000, -0.0002374400000000 ] - [ 0.0001993300000000, -0.0002158200000000, 0.0002127500000000 ] - [ 0.0009431500000000, 0.0002647800000000, 0.0011866800000000 ] - [ 0.0018203800000000, -0.0019152700000000, 0.0015688100000000 ] - [ 0.0010615800000000, 0.0000216500000000, -0.0000645800000000 ] - [ -0.0012396700000000, -0.0006503900000000, 0.0006816000000000 ] - [ -0.0015711300000000, 0.0042565300000000, 0.0042565300000000 ] - [ -0.0170493400000000, -0.0005050000000000, -0.0022734400000000 ] - [ -0.0224680500000000, -0.0009757000000000, -0.0009757000000000 ] - [ -0.0170493400000000, -0.0022734400000000, -0.0005050000000000 ] - [ -0.0004234900000000, -0.0004183300000000, -0.0004183300000000 ] - [ -0.0006108700000000, -0.0001732800000000, 0.0000875800000000 ] - [ -0.0002785300000000, 0.0000287900000000, 0.0000287900000000 ] - [ -0.0006108700000000, 0.0000875800000000, -0.0001732800000000 ] - [ 0.0011719000000000, -0.0003901000000000, 0.0008736800000000 ] - [ 0.0016359400000000, 0.0000709800000000, -0.0005800300000000 ] - [ 0.0006158100000000, 0.0000105900000000, -0.0001974700000000 ] - [ 0.0007992700000000, 0.0000494100000000, 0.0000543900000000 ] - [ 0.0011719000000000, 0.0008736800000000, -0.0003901000000000 ] - [ 0.0007992700000000, 0.0000543900000000, 0.0000494100000000 ] - [ 0.0006158100000000, -0.0001974700000000, 0.0000105900000000 ] - [ 0.0016359400000000, -0.0005800300000000, 0.0000709800000000 ] - [ 0.0003054600000000, -0.0000723900000000, 0.0000577300000000 ] - [ 0.0002468300000000, 0.0000831000000000, 0.0000831000000000 ] - [ 0.0003054600000000, 0.0000577300000000, -0.0000723900000000 ] - [ 0.0002486800000000, -0.0002579500000000, 0.0002394500000000 ] - [ 0.0001212600000000, 0.0000278300000000, 0.0000278300000000 ] - [ 0.0007012500000000, -0.0004868300000000, -0.0004868300000000 ] - [ 0.0003964800000000, -0.0000839200000000, -0.0000010600000000 ] - [ 0.0002486800000000, 0.0002394500000000, -0.0002579500000000 ] - [ 0.0003964800000000, -0.0000010600000000, -0.0000839200000000 ] - [ 0.0002392800000000, -0.0000790800000000, -0.0000790800000000 ] - [ 0.0021321500000000, 0.0001873400000000, -0.0001240500000000 ] - [ 0.0022615100000000, -0.0017208400000000, -0.0017208400000000 ] - [ 0.0021321500000000, -0.0001240500000000, 0.0001873400000000 ] - [ 0.0014634700000000, 0.0014166500000000, -0.0014814700000000 ] - [ 0.0043418100000000, -0.0011697700000000, -0.0011697700000000 ] - [ 0.0006892300000000, 0.0004279400000000, 0.0004279400000000 ] - [ 0.0013110500000000, 0.0001949400000000, 0.0000775200000000 ] - [ 0.0014634700000000, -0.0014814700000000, 0.0014166500000000 ] - [ 0.0013110500000000, 0.0000775200000000, 0.0001949400000000 ] - [ 0.0024868100000000, 0.0018075700000000, 0.0018075700000000 ] - [ -0.0008940400000000, 0.0001859000000000, -0.0001635600000000 ] - [ -0.0003802700000000, -0.0003745900000000, 0.0001017100000000 ] - [ -0.0006969500000000, -0.0002499100000000, 0.0000982700000000 ] - [ 0.0000711100000000, 0.0002038800000000, 0.0002292200000000 ] - [ -0.0001412800000000, -0.0004440500000000, 0.0001763600000000 ] - [ -0.0005037500000000, 0.0003542700000000, -0.0003437600000000 ] - [ -0.0006055600000000, -0.0001000400000000, 0.0001769900000000 ] - [ 0.0008754800000000, -0.0018615000000000, -0.0014250000000000 ] - [ -0.0027257800000000, -0.0015316500000000, 0.0016681800000000 ] - [ -0.0005992300000000, 0.0002282500000000, 0.0001749200000000 ] - [ -0.0006969500000000, 0.0000982700000000, -0.0002499100000000 ] - [ -0.0003802700000000, 0.0001017100000000, -0.0003745900000000 ] - [ -0.0008940400000000, -0.0001635600000000, 0.0001859000000000 ] - [ 0.0008754800000000, -0.0014250000000000, -0.0018615000000000 ] - [ -0.0001412800000000, 0.0001763600000000, -0.0004440500000000 ] - [ -0.0005037500000000, -0.0003437600000000, 0.0003542700000000 ] - [ -0.0027257800000000, 0.0016681800000000, -0.0015316500000000 ] - [ 0.0000711100000000, 0.0002292200000000, 0.0002038800000000 ] - [ -0.0006055600000000, 0.0001769900000000, -0.0001000400000000 ] - [ -0.0005992300000000, 0.0001749200000000, 0.0002282500000000 ] - [ -0.0009803700000000, -0.0010148800000000, -0.0010148800000000 ] - [ 0.0005411900000000, -0.0012672900000000, -0.0005157400000000 ] - [ 0.0788801300000000, -0.0054499800000000, -0.0054499800000000 ] - [ -0.0014642500000000, 0.0006653300000000, 0.0006653300000000 ] - [ 0.0002354000000000, 0.0017382200000000, -0.0000277200000000 ] - [ 0.0005411900000000, -0.0005157400000000, -0.0012672900000000 ] - [ 0.0006596900000000, 0.0001304300000000, -0.0000186100000000 ] - [ 0.0031709100000000, 0.0012174600000000, -0.0013358800000000 ] - [ 0.0031709100000000, -0.0013358800000000, 0.0012174600000000 ] - [ -0.0023023800000000, 0.0095747500000000, 0.0002562000000000 ] - [ 0.0006596900000000, -0.0000186100000000, 0.0001304300000000 ] - [ -0.0001928500000000, -0.0002431600000000, -0.0002431600000000 ] - [ 0.0049483300000000, 0.0008209600000000, 0.0008209600000000 ] - [ -0.0023023800000000, 0.0002562000000000, 0.0095747500000000 ] - [ -0.0026322200000000, -0.0008539600000000, -0.0117870400000000 ] - [ -0.0026322200000000, -0.0117870400000000, -0.0008539600000000 ] - [ 0.0002354000000000, -0.0000277200000000, 0.0017382200000000 ] - [ -0.0042308100000000, -0.0000964000000000, 0.0074990000000000 ] - [ -0.0002111100000000, -0.0000065200000000, -0.0000065200000000 ] - [ -0.0042308100000000, 0.0074990000000000, -0.0000964000000000 ] - [ 0.0001464400000000, 0.0002447700000000, 0.0002447700000000 ] - [ -0.0177650800000000, -0.0002808900000000, -0.0002808900000000 ] - [ -0.0000923300000000, 0.0002541200000000, 0.0002541200000000 ] - [ 0.0006226200000000, 0.0006728600000000, 0.0006730000000000 ] - [ 0.0003557800000000, 0.0000121400000000, 0.0000121400000000 ] - [ -0.0003494500000000, -0.0001008700000000, -0.0001008700000000 ] - [ 0.0006306800000000, -0.0001124700000000, 0.0000995300000000 ] - [ 0.0006226200000000, 0.0006730000000000, 0.0006728600000000 ] - [ 0.0016354800000000, -0.0000972600000000, -0.0001025700000000 ] - [ 0.0006481900000000, -0.0001847600000000, 0.0002151100000000 ] - [ 0.0006481900000000, 0.0002151100000000, -0.0001847600000000 ] - [ 0.0002416800000000, -0.0001912800000000, -0.0000566600000000 ] - [ 0.0016354800000000, -0.0001025700000000, -0.0000972600000000 ] - [ -0.0009522400000000, 0.0010267500000000, 0.0010267500000000 ] - [ 0.0005454500000000, 0.0000476500000000, 0.0000476500000000 ] - [ 0.0002416800000000, -0.0000566600000000, -0.0001912800000000 ] - [ 0.0003092900000000, 0.0001340700000000, 0.0000933700000000 ] - [ 0.0003092900000000, 0.0000933700000000, 0.0001340700000000 ] - [ 0.0006306800000000, 0.0000995300000000, -0.0001124700000000 ] - [ 0.0001646200000000, 0.0000921200000000, -0.0001978200000000 ] - [ -0.0028109600000000, -0.0000793200000000, -0.0000793200000000 ] - [ 0.0001646200000000, -0.0001978200000000, 0.0000921200000000 ] - [ -0.0005820700000000, -0.0025690700000000, -0.0025690700000000 ] - [ -0.0000521900000000, -0.0000103000000000, -0.0000103000000000 ] - [ 0.0002355400000000, 0.0008801800000000, -0.0011930400000000 ] - [ -0.0003313400000000, 0.0002384500000000, -0.0001673100000000 ] - [ -0.0007613400000000, 0.0000112200000000, 0.0001330400000000 ] - [ 0.0005606700000000, -0.0006246900000000, 0.0006083400000000 ] - [ -0.0003186800000000, -0.0000319000000000, -0.0000148400000000 ] - [ -0.0018065500000000, 0.0006856700000000, -0.0004209700000000 ] - [ -0.0019867900000000, -0.0008883400000000, 0.0002008800000000 ] - [ -0.0008155300000000, -0.0000660200000000, -0.0001174500000000 ] - [ -0.0006500000000000, 0.0000469400000000, 0.0001608600000000 ] - [ -0.0003646000000000, -0.0001525900000000, 0.0000830900000000 ] - [ -0.0003499500000000, 0.0000421600000000, 0.0000180100000000 ] - [ 0.0002553000000000, 0.0007106600000000, -0.0006620100000000 ] - [ -0.0008668100000000, -0.0001325800000000, 0.0001070300000000 ] - [ -0.0013315100000000, 0.0002030700000000, 0.0008090800000000 ] - [ -0.0013389100000000, -0.0000495700000000, -0.0005999700000000 ] - [ -0.0005455700000000, 0.0000963100000000, -0.0001100300000000 ] - [ -0.0020003300000000, -0.0001455800000000, 0.0008268000000000 ] - [ -0.0010832500000000, -0.0000451800000000, 0.0011376600000000 ] - [ 0.0004763300000000, -0.0000338000000000, 0.0000541400000000 ] - [ -0.0003148700000000, -0.0002165400000000, -0.0000863500000000 ] - [ -0.0003277600000000, -0.0007618000000000, 0.0003822000000000 ] - [ 0.0000397200000000, 0.0000063400000000, 0.0002076600000000 ] - [ 0.0002355400000000, -0.0011930400000000, 0.0008801800000000 ] - [ -0.0018065500000000, -0.0004209700000000, 0.0006856700000000 ] - [ -0.0007613400000000, 0.0001330400000000, 0.0000112200000000 ] - [ 0.0005606700000000, 0.0006083400000000, -0.0006246900000000 ] - [ -0.0020003300000000, 0.0008268000000000, -0.0001455800000000 ] - [ -0.0003313400000000, -0.0001673100000000, 0.0002384500000000 ] - [ -0.0003499500000000, 0.0000180100000000, 0.0000421600000000 ] - [ -0.0006500000000000, 0.0001608600000000, 0.0000469400000000 ] - [ -0.0008155300000000, -0.0001174500000000, -0.0000660200000000 ] - [ -0.0013315100000000, 0.0008090800000000, 0.0002030700000000 ] - [ -0.0019867900000000, 0.0002008800000000, -0.0008883400000000 ] - [ 0.0002553000000000, -0.0006620100000000, 0.0007106600000000 ] - [ -0.0008668100000000, 0.0001070300000000, -0.0001325800000000 ] - [ -0.0003646000000000, 0.0000830900000000, -0.0001525900000000 ] - [ -0.0005455700000000, -0.0001100300000000, 0.0000963100000000 ] - [ -0.0013389100000000, -0.0005999700000000, -0.0000495700000000 ] - [ -0.0003186800000000, -0.0000148400000000, -0.0000319000000000 ] - [ -0.0003148700000000, -0.0000863500000000, -0.0002165400000000 ] - [ 0.0004763300000000, 0.0000541400000000, -0.0000338000000000 ] - [ -0.0010832500000000, 0.0011376600000000, -0.0000451800000000 ] - [ -0.0003277600000000, 0.0003822000000000, -0.0007618000000000 ] - [ 0.0000397200000000, 0.0002076600000000, 0.0000063400000000 ]- atom: 84 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004609000000000, -0.0003248000000000, -0.0007590000000000 ] - [ -0.0004199800000000, 0.0022775600000000, -0.0047877400000000 ] - [ 0.0004609000000000, -0.0007590000000000, -0.0003248000000000 ] - [ -0.0004199800000000, -0.0047877400000000, 0.0022775600000000 ] - [ -0.0016303600000000, -0.0003756700000000, -0.0003756700000000 ] - [ 0.0051391800000000, 0.0008656500000000, 0.0008656500000000 ] - [ 0.0004139400000000, 0.0015632000000000, 0.0008984000000000 ] - [ 0.0002410000000000, -0.0000227100000000, 0.0002533000000000 ] - [ 0.0004139400000000, 0.0008984000000000, 0.0015632000000000 ] - [ 0.0002410000000000, 0.0002533000000000, -0.0000227100000000 ] - [ -0.0004497600000000, 0.0001615900000000, 0.0001615900000000 ] - [ 0.0007436800000000, 0.0000457500000000, 0.0000457500000000 ] - [ -0.0024318700000000, 0.0008677600000000, -0.0010344500000000 ] - [ -0.0011119200000000, -0.0003153300000000, -0.0008450600000000 ] - [ -0.0002884000000000, 0.0001797600000000, -0.0001203500000000 ] - [ -0.0003912900000000, 0.0001729500000000, 0.0001708800000000 ] - [ 0.0007612700000000, 0.0006919400000000, -0.0011455300000000 ] - [ -0.0008944500000000, -0.0001457700000000, 0.0001859400000000 ] - [ -0.0002884000000000, -0.0001203500000000, 0.0001797600000000 ] - [ -0.0003912900000000, 0.0001708800000000, 0.0001729500000000 ] - [ -0.0024318700000000, -0.0010344500000000, 0.0008677600000000 ] - [ -0.0011119200000000, -0.0008450600000000, -0.0003153300000000 ] - [ 0.0007612700000000, -0.0011455300000000, 0.0006919400000000 ] - [ -0.0008944500000000, 0.0001859400000000, -0.0001457700000000 ] - [ -0.0033493300000000, -0.0003348400000000, -0.0003348400000000 ] - [ -0.0045241200000000, 0.0009062400000000, 0.0002088500000000 ] - [ -0.0020443400000000, 0.0002098100000000, 0.0002098100000000 ] - [ -0.0045241200000000, 0.0002088500000000, 0.0009062400000000 ] - [ -0.0004209800000000, 0.0000240900000000, 0.0000240900000000 ] - [ -0.0002451500000000, -0.0001918000000000, 0.0001175000000000 ] - [ -0.0006813100000000, 0.0000745900000000, 0.0000745900000000 ] - [ -0.0002451500000000, 0.0001175000000000, -0.0001918000000000 ] - [ 0.0011442400000000, -0.0000261100000000, 0.0001890700000000 ] - [ 0.0002957200000000, -0.0003690700000000, 0.0000616500000000 ] - [ 0.0018026100000000, -0.0000268500000000, 0.0004823800000000 ] - [ 0.0007793400000000, -0.0001331900000000, 0.0041358300000000 ] - [ 0.0011442400000000, 0.0001890700000000, -0.0000261100000000 ] - [ 0.0007793400000000, 0.0041358300000000, -0.0001331900000000 ] - [ 0.0018026100000000, 0.0004823800000000, -0.0000268500000000 ] - [ 0.0002957200000000, 0.0000616500000000, -0.0003690700000000 ] - [ 0.0004083400000000, 0.0001605000000000, 0.0002775700000000 ] - [ -0.0001060400000000, 0.0005265900000000, 0.0005265900000000 ] - [ 0.0004083400000000, 0.0002775700000000, 0.0001605000000000 ] - [ 0.0005497800000000, -0.0002106000000000, 0.0001856600000000 ] - [ 0.0003801400000000, 0.0000723600000000, 0.0000723600000000 ] - [ -0.0000260500000000, -0.0000403300000000, -0.0000403300000000 ] - [ 0.0002325200000000, 0.0000584900000000, 0.0000038200000000 ] - [ 0.0005497800000000, 0.0001856600000000, -0.0002106000000000 ] - [ 0.0002325200000000, 0.0000038200000000, 0.0000584900000000 ] - [ -0.0000453600000000, 0.0000958500000000, 0.0000958500000000 ] - [ 0.0025920700000000, -0.0013834400000000, -0.0017584800000000 ] - [ -0.0000485300000000, -0.0004643900000000, -0.0004643900000000 ] - [ 0.0025920700000000, -0.0017584800000000, -0.0013834400000000 ] - [ 0.0027695000000000, 0.0018555100000000, -0.0019719200000000 ] - [ 0.0137875800000000, -0.0106414600000000, -0.0106414600000000 ] - [ -0.0036869900000000, 0.0005534400000000, 0.0005534400000000 ] - [ 0.0199746800000000, 0.0136589000000000, -0.0091033700000000 ] - [ 0.0027695000000000, -0.0019719200000000, 0.0018555100000000 ] - [ 0.0199746800000000, -0.0091033700000000, 0.0136589000000000 ] - [ -0.0026362100000000, -0.0005968700000000, -0.0005968700000000 ] - [ -0.0010785400000000, -0.0002331400000000, -0.0001797500000000 ] - [ -0.0000506900000000, -0.0004379900000000, 0.0006081900000000 ] - [ -0.0003881400000000, -0.0000224100000000, 0.0000164200000000 ] - [ -0.0010538800000000, 0.0002737900000000, -0.0000905700000000 ] - [ -0.0005939400000000, 0.0001959800000000, -0.0002106200000000 ] - [ -0.0000298800000000, 0.0004550300000000, -0.0001595800000000 ] - [ -0.0006123500000000, -0.0001544500000000, -0.0002400600000000 ] - [ -0.0003348200000000, -0.0000139100000000, -0.0000509600000000 ] - [ -0.0005819600000000, 0.0002250700000000, 0.0002090000000000 ] - [ -0.0001029800000000, -0.0004616100000000, 0.0000146400000000 ] - [ -0.0003881400000000, 0.0000164200000000, -0.0000224100000000 ] - [ -0.0000506900000000, 0.0006081900000000, -0.0004379900000000 ] - [ -0.0010785400000000, -0.0001797500000000, -0.0002331400000000 ] - [ -0.0003348200000000, -0.0000509600000000, -0.0000139100000000 ] - [ -0.0005939400000000, -0.0002106200000000, 0.0001959800000000 ] - [ -0.0000298800000000, -0.0001595800000000, 0.0004550300000000 ] - [ -0.0005819600000000, 0.0002090000000000, 0.0002250700000000 ] - [ -0.0010538800000000, -0.0000905700000000, 0.0002737900000000 ] - [ -0.0006123500000000, -0.0002400600000000, -0.0001544500000000 ] - [ -0.0001029800000000, 0.0000146400000000, -0.0004616100000000 ] - [ 0.0025714000000000, 0.0001169300000000, 0.0001169300000000 ] - [ 0.0011911700000000, 0.0000727700000000, 0.0000230200000000 ] - [ 0.0014902800000000, -0.0005882100000000, -0.0005882100000000 ] - [ -0.0827000900000000, 0.0182466600000000, 0.0182466600000000 ] - [ 0.0014440900000000, 0.0006638800000000, -0.0008136900000000 ] - [ 0.0011911700000000, 0.0000230200000000, 0.0000727700000000 ] - [ 0.0010595400000000, 0.0002407000000000, 0.0008710300000000 ] - [ 0.0008494200000000, -0.0000204700000000, -0.0011318700000000 ] - [ 0.0008494200000000, -0.0011318700000000, -0.0000204700000000 ] - [ 0.0006842000000000, -0.0000550200000000, 0.0000032000000000 ] - [ 0.0010595400000000, 0.0008710300000000, 0.0002407000000000 ] - [ 0.0014424100000000, -0.0007729700000000, -0.0007729700000000 ] - [ 0.0028327700000000, -0.0001208500000000, -0.0001208500000000 ] - [ 0.0006842000000000, 0.0000032000000000, -0.0000550200000000 ] - [ 0.0019739700000000, -0.0000118000000000, -0.0000064900000000 ] - [ 0.0019739700000000, -0.0000064900000000, -0.0000118000000000 ] - [ 0.0014440900000000, -0.0008136900000000, 0.0006638800000000 ] - [ 0.0063197800000000, -0.0096061800000000, 0.0011793200000000 ] - [ -0.0006167300000000, -0.0002507500000000, -0.0002507500000000 ] - [ 0.0063197800000000, 0.0011793200000000, -0.0096061800000000 ] - [ 0.0003430300000000, 0.0028179400000000, 0.0028179400000000 ] - [ 0.0016353100000000, 0.0007565300000000, 0.0007565300000000 ] - [ 0.0002265900000000, -0.0000304900000000, -0.0000304900000000 ] - [ 0.0003461800000000, -0.0000002900000000, 0.0000078800000000 ] - [ 0.0003744600000000, 0.0001144800000000, 0.0001144800000000 ] - [ -0.0003315600000000, -0.0000422400000000, -0.0000422400000000 ] - [ 0.0002918300000000, -0.0002230400000000, 0.0002400500000000 ] - [ 0.0003461800000000, 0.0000078800000000, -0.0000002900000000 ] - [ 0.0003514900000000, -0.0000411700000000, -0.0001634600000000 ] - [ 0.0002572500000000, -0.0000410600000000, 0.0001983000000000 ] - [ 0.0002572500000000, 0.0001983000000000, -0.0000410600000000 ] - [ 0.0007314700000000, 0.0000023600000000, -0.0000928500000000 ] - [ 0.0003514900000000, -0.0001634600000000, -0.0000411700000000 ] - [ 0.0002732000000000, 0.0001675400000000, 0.0001675400000000 ] - [ 0.0002345900000000, -0.0000000500000000, -0.0000000500000000 ] - [ 0.0007314700000000, -0.0000928500000000, 0.0000023600000000 ] - [ 0.0003349600000000, 0.0000112600000000, -0.0000617900000000 ] - [ 0.0003349600000000, -0.0000617900000000, 0.0000112600000000 ] - [ 0.0002918300000000, 0.0002400500000000, -0.0002230400000000 ] - [ -0.0001921100000000, 0.0001890700000000, -0.0000999900000000 ] - [ -0.0026688100000000, -0.0011757500000000, -0.0011757500000000 ] - [ -0.0001921100000000, -0.0000999900000000, 0.0001890700000000 ] - [ -0.0001451800000000, -0.0003066100000000, -0.0003066100000000 ] - [ 0.0003933600000000, -0.0002170200000000, -0.0002170200000000 ] - [ -0.0004854700000000, 0.0000565100000000, -0.0000941300000000 ] - [ -0.0006545400000000, 0.0000320000000000, -0.0000301700000000 ] - [ -0.0005477100000000, 0.0006482900000000, -0.0006432300000000 ] - [ 0.0007459400000000, -0.0000496700000000, -0.0000811500000000 ] - [ -0.0001743400000000, -0.0006165600000000, -0.0006132200000000 ] - [ -0.0017525000000000, 0.0000327100000000, -0.0001970900000000 ] - [ 0.0040718900000000, 0.0011808300000000, 0.0060142800000000 ] - [ 0.0070294300000000, -0.0013333300000000, -0.0087584300000000 ] - [ -0.0001167900000000, 0.0001804100000000, -0.0000394200000000 ] - [ -0.0005630200000000, 0.0000801000000000, -0.0001250800000000 ] - [ -0.0001051500000000, -0.0001680400000000, -0.0000541200000000 ] - [ -0.0004206700000000, 0.0006092900000000, -0.0006250700000000 ] - [ -0.0004711300000000, 0.0001124500000000, -0.0009067700000000 ] - [ -0.0037277000000000, 0.0012549500000000, -0.0014858400000000 ] - [ -0.0006829000000000, 0.0000749400000000, -0.0002187800000000 ] - [ -0.0016579500000000, 0.0000791900000000, -0.0000687100000000 ] - [ -0.0003742700000000, 0.0006294300000000, 0.0004174000000000 ] - [ 0.0002464700000000, 0.0001980500000000, 0.0000508400000000 ] - [ 0.0007533300000000, 0.0000339700000000, 0.0000582200000000 ] - [ 0.0010069300000000, 0.0000083900000000, -0.0008348700000000 ] - [ 0.0005622000000000, -0.0003704300000000, 0.0005700700000000 ] - [ -0.0007570200000000, -0.0010127900000000, 0.0011484600000000 ] - [ -0.0004854700000000, -0.0000941300000000, 0.0000565100000000 ] - [ -0.0017525000000000, -0.0001970900000000, 0.0000327100000000 ] - [ -0.0005477100000000, -0.0006432300000000, 0.0006482900000000 ] - [ 0.0007459400000000, -0.0000811500000000, -0.0000496700000000 ] - [ -0.0003742700000000, 0.0004174000000000, 0.0006294300000000 ] - [ -0.0006545400000000, -0.0000301700000000, 0.0000320000000000 ] - [ -0.0001051500000000, -0.0000541200000000, -0.0001680400000000 ] - [ -0.0001167900000000, -0.0000394200000000, 0.0001804100000000 ] - [ 0.0070294300000000, -0.0087584300000000, -0.0013333300000000 ] - [ -0.0037277000000000, -0.0014858400000000, 0.0012549500000000 ] - [ 0.0040718900000000, 0.0060142800000000, 0.0011808300000000 ] - [ -0.0004206700000000, -0.0006250700000000, 0.0006092900000000 ] - [ -0.0004711300000000, -0.0009067700000000, 0.0001124500000000 ] - [ -0.0005630200000000, -0.0001250800000000, 0.0000801000000000 ] - [ -0.0016579500000000, -0.0000687100000000, 0.0000791900000000 ] - [ -0.0006829000000000, -0.0002187800000000, 0.0000749400000000 ] - [ -0.0001743400000000, -0.0006132200000000, -0.0006165600000000 ] - [ 0.0010069300000000, -0.0008348700000000, 0.0000083900000000 ] - [ 0.0007533300000000, 0.0000582200000000, 0.0000339700000000 ] - [ 0.0002464700000000, 0.0000508400000000, 0.0001980500000000 ] - [ 0.0005622000000000, 0.0005700700000000, -0.0003704300000000 ] - [ -0.0007570200000000, 0.0011484600000000, -0.0010127900000000 ]- atom: 84 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005001800000000, 0.0003858600000000, 0.0007562200000000 ] - [ 0.0005434200000000, -0.0023271200000000, 0.0048679700000000 ] - [ -0.0005001800000000, 0.0007562200000000, 0.0003858600000000 ] - [ 0.0005434200000000, 0.0048679700000000, -0.0023271200000000 ] - [ 0.0016985500000000, 0.0003705700000000, 0.0003705700000000 ] - [ -0.0051715300000000, -0.0007882800000000, -0.0007882800000000 ] - [ -0.0004057500000000, -0.0015648900000000, -0.0009281000000000 ] - [ -0.0002551800000000, -0.0000294500000000, -0.0002580600000000 ] - [ -0.0004057500000000, -0.0009281000000000, -0.0015648900000000 ] - [ -0.0002551800000000, -0.0002580600000000, -0.0000294500000000 ] - [ 0.0003996800000000, -0.0001495800000000, -0.0001495800000000 ] - [ -0.0008193600000000, -0.0000308600000000, -0.0000308600000000 ] - [ 0.0023694300000000, -0.0008120000000000, 0.0010729200000000 ] - [ 0.0011432800000000, 0.0003107400000000, 0.0008687100000000 ] - [ 0.0003382400000000, -0.0001750400000000, 0.0000962300000000 ] - [ 0.0004053800000000, -0.0001542200000000, -0.0002330100000000 ] - [ -0.0007602300000000, -0.0006564700000000, 0.0010906800000000 ] - [ 0.0008776600000000, 0.0001532700000000, -0.0001707300000000 ] - [ 0.0003382400000000, 0.0000962300000000, -0.0001750400000000 ] - [ 0.0004053800000000, -0.0002330100000000, -0.0001542200000000 ] - [ 0.0023694300000000, 0.0010729200000000, -0.0008120000000000 ] - [ 0.0011432800000000, 0.0008687100000000, 0.0003107400000000 ] - [ -0.0007602300000000, 0.0010906800000000, -0.0006564700000000 ] - [ 0.0008776600000000, -0.0001707300000000, 0.0001532700000000 ] - [ 0.0034011900000000, 0.0003781000000000, 0.0003781000000000 ] - [ 0.0044814000000000, -0.0009478700000000, -0.0001520000000000 ] - [ 0.0021100300000000, -0.0002688100000000, -0.0002688100000000 ] - [ 0.0044814000000000, -0.0001520000000000, -0.0009478700000000 ] - [ 0.0004735700000000, 0.0000326000000000, 0.0000326000000000 ] - [ 0.0001828900000000, 0.0001398100000000, -0.0000713500000000 ] - [ 0.0007523000000000, -0.0001327500000000, -0.0001327500000000 ] - [ 0.0001828900000000, -0.0000713500000000, 0.0001398100000000 ] - [ -0.0010987800000000, 0.0000752700000000, -0.0001598400000000 ] - [ -0.0003594300000000, 0.0003186100000000, -0.0000086600000000 ] - [ -0.0017323200000000, -0.0000221400000000, -0.0005154400000000 ] - [ -0.0008245400000000, 0.0002064800000000, -0.0041905500000000 ] - [ -0.0010987800000000, -0.0001598400000000, 0.0000752700000000 ] - [ -0.0008245400000000, -0.0041905500000000, 0.0002064800000000 ] - [ -0.0017323200000000, -0.0005154400000000, -0.0000221400000000 ] - [ -0.0003594300000000, -0.0000086600000000, 0.0003186100000000 ] - [ -0.0004089100000000, -0.0001946800000000, -0.0002807400000000 ] - [ 0.0000816000000000, -0.0005480900000000, -0.0005480900000000 ] - [ -0.0004089100000000, -0.0002807400000000, -0.0001946800000000 ] - [ -0.0005255400000000, 0.0001920400000000, -0.0001664700000000 ] - [ -0.0003436200000000, -0.0000682300000000, -0.0000682300000000 ] - [ 0.0000079400000000, 0.0000626300000000, 0.0000626300000000 ] - [ -0.0002316600000000, -0.0000551600000000, 0.0000252100000000 ] - [ -0.0005255400000000, -0.0001664700000000, 0.0001920400000000 ] - [ -0.0002316600000000, 0.0000252100000000, -0.0000551600000000 ] - [ 0.0000075600000000, -0.0001005800000000, -0.0001005800000000 ] - [ -0.0026044900000000, 0.0013451000000000, 0.0017614900000000 ] - [ 0.0000269300000000, 0.0004414400000000, 0.0004414400000000 ] - [ -0.0026044900000000, 0.0017614900000000, 0.0013451000000000 ] - [ -0.0027310000000000, -0.0018832900000000, 0.0019851900000000 ] - [ -0.0135888600000000, 0.0100974600000000, 0.0100974600000000 ] - [ 0.0036657600000000, -0.0005313600000000, -0.0005313600000000 ] - [ -0.0204942000000000, -0.0145188900000000, 0.0098243700000000 ] - [ -0.0027310000000000, 0.0019851900000000, -0.0018832900000000 ] - [ -0.0204942000000000, 0.0098243700000000, -0.0145188900000000 ] - [ 0.0026005800000000, 0.0005920200000000, 0.0005920200000000 ] - [ 0.0010781900000000, 0.0002007400000000, 0.0001755100000000 ] - [ 0.0000301000000000, 0.0004181600000000, -0.0006272900000000 ] - [ 0.0003859900000000, 0.0000163200000000, -0.0000521900000000 ] - [ 0.0010732400000000, -0.0002978700000000, 0.0001109100000000 ] - [ 0.0006297900000000, -0.0001973900000000, 0.0002137400000000 ] - [ 0.0000102900000000, -0.0004335100000000, 0.0001823800000000 ] - [ 0.0006140000000000, 0.0001528500000000, 0.0002712200000000 ] - [ 0.0003591700000000, 0.0000340300000000, 0.0000283000000000 ] - [ 0.0005810400000000, -0.0001900900000000, -0.0002086200000000 ] - [ 0.0000677900000000, 0.0004537400000000, -0.0000228200000000 ] - [ 0.0003859900000000, -0.0000521900000000, 0.0000163200000000 ] - [ 0.0000301000000000, -0.0006272900000000, 0.0004181600000000 ] - [ 0.0010781900000000, 0.0001755100000000, 0.0002007400000000 ] - [ 0.0003591700000000, 0.0000283000000000, 0.0000340300000000 ] - [ 0.0006297900000000, 0.0002137400000000, -0.0001973900000000 ] - [ 0.0000102900000000, 0.0001823800000000, -0.0004335100000000 ] - [ 0.0005810400000000, -0.0002086200000000, -0.0001900900000000 ] - [ 0.0010732400000000, 0.0001109100000000, -0.0002978700000000 ] - [ 0.0006140000000000, 0.0002712200000000, 0.0001528500000000 ] - [ 0.0000677900000000, -0.0000228200000000, 0.0004537400000000 ] - [ -0.0025271200000000, -0.0001402300000000, -0.0001402300000000 ] - [ -0.0012149400000000, -0.0000398600000000, -0.0000506500000000 ] - [ -0.0014578600000000, 0.0006148500000000, 0.0006148500000000 ] - [ 0.0835256500000000, -0.0176219400000000, -0.0176219400000000 ] - [ -0.0014137200000000, -0.0006176600000000, 0.0008349400000000 ] - [ -0.0012149400000000, -0.0000506500000000, -0.0000398600000000 ] - [ -0.0010365800000000, -0.0002632500000000, -0.0008452300000000 ] - [ -0.0008391200000000, 0.0000058100000000, 0.0010842400000000 ] - [ -0.0008391200000000, 0.0010842400000000, 0.0000058100000000 ] - [ -0.0006946600000000, 0.0000135500000000, 0.0000073800000000 ] - [ -0.0010365800000000, -0.0008452300000000, -0.0002632500000000 ] - [ -0.0014228300000000, 0.0007706800000000, 0.0007706800000000 ] - [ -0.0027870900000000, 0.0000772100000000, 0.0000772100000000 ] - [ -0.0006946600000000, 0.0000073800000000, 0.0000135500000000 ] - [ -0.0019992300000000, 0.0000372600000000, -0.0000310100000000 ] - [ -0.0019992300000000, -0.0000310100000000, 0.0000372600000000 ] - [ -0.0014137200000000, 0.0008349400000000, -0.0006176600000000 ] - [ -0.0063504000000000, 0.0095545400000000, -0.0011928800000000 ] - [ 0.0005950700000000, 0.0002674200000000, 0.0002674200000000 ] - [ -0.0063504000000000, -0.0011928800000000, 0.0095545400000000 ] - [ -0.0003529300000000, -0.0028067000000000, -0.0028067000000000 ] - [ -0.0015798200000000, -0.0007326800000000, -0.0007326800000000 ] - [ -0.0001891500000000, -0.0000003800000000, -0.0000003800000000 ] - [ -0.0003586600000000, 0.0000449600000000, -0.0000249300000000 ] - [ -0.0003452900000000, -0.0000879800000000, -0.0000879800000000 ] - [ 0.0003209500000000, 0.0000314300000000, 0.0000314300000000 ] - [ -0.0002565500000000, 0.0002663400000000, -0.0001989200000000 ] - [ -0.0003586600000000, -0.0000249300000000, 0.0000449600000000 ] - [ -0.0003284400000000, 0.0000080300000000, 0.0001743000000000 ] - [ -0.0002516600000000, 0.0000359100000000, -0.0002389200000000 ] - [ -0.0002516600000000, -0.0002389200000000, 0.0000359100000000 ] - [ -0.0007591300000000, -0.0000380800000000, 0.0001211000000000 ] - [ -0.0003284400000000, 0.0001743000000000, 0.0000080300000000 ] - [ -0.0002837500000000, -0.0001627600000000, -0.0001627600000000 ] - [ -0.0002041100000000, -0.0000286100000000, -0.0000286100000000 ] - [ -0.0007591300000000, 0.0001211000000000, -0.0000380800000000 ] - [ -0.0003580700000000, 0.0000201400000000, 0.0000366400000000 ] - [ -0.0003580700000000, 0.0000366400000000, 0.0000201400000000 ] - [ -0.0002565500000000, -0.0001989200000000, 0.0002663400000000 ] - [ 0.0001539300000000, -0.0001612600000000, 0.0000760400000000 ] - [ 0.0026698100000000, 0.0012187800000000, 0.0012187800000000 ] - [ 0.0001539300000000, 0.0000760400000000, -0.0001612600000000 ] - [ 0.0001497400000000, 0.0003070600000000, 0.0003070600000000 ] - [ -0.0003378500000000, 0.0002387000000000, 0.0002387000000000 ] - [ 0.0005301700000000, -0.0000714200000000, 0.0000838600000000 ] - [ 0.0006222200000000, 0.0000175100000000, 0.0000002400000000 ] - [ 0.0005747400000000, -0.0006168500000000, 0.0006687900000000 ] - [ -0.0007619500000000, 0.0000314200000000, 0.0000624100000000 ] - [ 0.0001994500000000, 0.0006682300000000, 0.0006319500000000 ] - [ 0.0017296100000000, -0.0000528200000000, 0.0002530600000000 ] - [ -0.0040794000000000, -0.0012076300000000, -0.0060369100000000 ] - [ -0.0070539100000000, 0.0013238000000000, 0.0087871900000000 ] - [ 0.0001363600000000, -0.0002319700000000, 0.0000168100000000 ] - [ 0.0005403300000000, -0.0001271500000000, 0.0001469900000000 ] - [ 0.0001198600000000, 0.0001792200000000, 0.0000374900000000 ] - [ 0.0004175500000000, -0.0006286600000000, 0.0006167500000000 ] - [ 0.0004946200000000, -0.0001455600000000, 0.0008774200000000 ] - [ 0.0036679200000000, -0.0011837100000000, 0.0013900600000000 ] - [ 0.0006549400000000, -0.0000457300000000, 0.0001834900000000 ] - [ 0.0016292200000000, -0.0001157700000000, 0.0000925400000000 ] - [ 0.0003917200000000, -0.0006200500000000, -0.0003568100000000 ] - [ -0.0002920900000000, -0.0001986600000000, -0.0000547500000000 ] - [ -0.0007791300000000, -0.0000109500000000, -0.0000525800000000 ] - [ -0.0010527100000000, -0.0000402500000000, 0.0008691100000000 ] - [ -0.0005604400000000, 0.0003701400000000, -0.0005723200000000 ] - [ 0.0008012200000000, 0.0010264900000000, -0.0011121500000000 ] - [ 0.0005301700000000, 0.0000838600000000, -0.0000714200000000 ] - [ 0.0017296100000000, 0.0002530600000000, -0.0000528200000000 ] - [ 0.0005747400000000, 0.0006687900000000, -0.0006168500000000 ] - [ -0.0007619500000000, 0.0000624100000000, 0.0000314200000000 ] - [ 0.0003917200000000, -0.0003568100000000, -0.0006200500000000 ] - [ 0.0006222200000000, 0.0000002400000000, 0.0000175100000000 ] - [ 0.0001198600000000, 0.0000374900000000, 0.0001792200000000 ] - [ 0.0001363600000000, 0.0000168100000000, -0.0002319700000000 ] - [ -0.0070539100000000, 0.0087871900000000, 0.0013238000000000 ] - [ 0.0036679200000000, 0.0013900600000000, -0.0011837100000000 ] - [ -0.0040794000000000, -0.0060369100000000, -0.0012076300000000 ] - [ 0.0004175500000000, 0.0006167500000000, -0.0006286600000000 ] - [ 0.0004946200000000, 0.0008774200000000, -0.0001455600000000 ] - [ 0.0005403300000000, 0.0001469900000000, -0.0001271500000000 ] - [ 0.0016292200000000, 0.0000925400000000, -0.0001157700000000 ] - [ 0.0006549400000000, 0.0001834900000000, -0.0000457300000000 ] - [ 0.0001994500000000, 0.0006319500000000, 0.0006682300000000 ] - [ -0.0010527100000000, 0.0008691100000000, -0.0000402500000000 ] - [ -0.0007791300000000, -0.0000525800000000, -0.0000109500000000 ] - [ -0.0002920900000000, -0.0000547500000000, -0.0001986600000000 ] - [ -0.0005604400000000, -0.0005723200000000, 0.0003701400000000 ] - [ 0.0008012200000000, -0.0011121500000000, 0.0010264900000000 ]- atom: 92 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015519500000000, 0.0001804600000000, 0.0000041000000000 ] - [ -0.0015519500000000, -0.0000041000000000, -0.0001804600000000 ] - [ -0.0015519500000000, 0.0000041000000000, 0.0001804600000000 ] - [ -0.0015519500000000, -0.0001804600000000, -0.0000041000000000 ] - [ -0.0049824500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0050204400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005210000000000, 0.0000861400000000, 0.0000040700000000 ] - [ -0.0005210000000000, -0.0000040700000000, -0.0000861400000000 ] - [ -0.0005210000000000, 0.0000040700000000, 0.0000861400000000 ] - [ -0.0005210000000000, -0.0000861400000000, -0.0000040700000000 ] - [ -0.0001097500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001320800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031743100000000, -0.0006534500000000, 0.0000015000000000 ] - [ 0.0007485800000000, -0.0000063700000000, 0.0001848400000000 ] - [ 0.0007485800000000, 0.0000063700000000, -0.0001848400000000 ] - [ 0.0031743100000000, 0.0006534500000000, -0.0000015000000000 ] - [ 0.0002832500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002644700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007485800000000, -0.0001848400000000, 0.0000063700000000 ] - [ 0.0031743100000000, -0.0000015000000000, 0.0006534500000000 ] - [ 0.0031743100000000, 0.0000015000000000, -0.0006534500000000 ] - [ 0.0007485800000000, 0.0001848400000000, -0.0000063700000000 ] - [ 0.0002832500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002644700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015786500000000, -0.0037986000000000, -0.0037986000000000 ] - [ -0.0009181500000000, -0.0006570700000000, -0.0005548600000000 ] - [ 0.0005867600000000, -0.0003733800000000, -0.0003733800000000 ] - [ -0.0009181500000000, -0.0005548600000000, -0.0006570700000000 ] - [ 0.0005867600000000, 0.0003733800000000, 0.0003733800000000 ] - [ -0.0009181500000000, 0.0005548600000000, 0.0006570700000000 ] - [ 0.0015786500000000, 0.0037986000000000, 0.0037986000000000 ] - [ -0.0009181500000000, 0.0006570700000000, 0.0005548600000000 ] - [ -0.0008897800000000, 0.0006003300000000, -0.0006274800000000 ] - [ 0.0005441700000000, 0.0003448200000000, -0.0003448200000000 ] - [ -0.0008897800000000, 0.0006274800000000, -0.0006003300000000 ] - [ 0.0015494800000000, 0.0038510500000000, -0.0038510500000000 ] - [ -0.0008897800000000, -0.0006274800000000, 0.0006003300000000 ] - [ 0.0015494800000000, -0.0038510500000000, 0.0038510500000000 ] - [ -0.0008897800000000, -0.0006003300000000, 0.0006274800000000 ] - [ 0.0005441700000000, -0.0003448200000000, 0.0003448200000000 ] - [ -0.0014982400000000, -0.0017480500000000, -0.0018290600000000 ] - [ 0.0262007700000000, 0.0245935100000000, 0.0245935100000000 ] - [ -0.0014982400000000, -0.0018290600000000, -0.0017480500000000 ] - [ -0.0006113200000000, -0.0001667800000000, -0.0002370000000000 ] - [ -0.0007084300000000, -0.0003821800000000, -0.0003821800000000 ] - [ 0.0002696100000000, -0.0000854200000000, -0.0000854200000000 ] - [ -0.0001641300000000, -0.0002601200000000, -0.0001919200000000 ] - [ -0.0006113200000000, -0.0002370000000000, -0.0001667800000000 ] - [ -0.0001641300000000, -0.0001919200000000, -0.0002601200000000 ] - [ 0.0005192500000000, -0.0004668800000000, -0.0004668800000000 ] - [ -0.0001641300000000, 0.0001919200000000, 0.0002601200000000 ] - [ 0.0002696100000000, 0.0000854200000000, 0.0000854200000000 ] - [ -0.0001641300000000, 0.0002601200000000, 0.0001919200000000 ] - [ -0.0006113200000000, 0.0002370000000000, 0.0001667800000000 ] - [ -0.0007084300000000, 0.0003821800000000, 0.0003821800000000 ] - [ 0.0262007700000000, -0.0245935100000000, -0.0245935100000000 ] - [ -0.0014982400000000, 0.0018290600000000, 0.0017480500000000 ] - [ -0.0006113200000000, 0.0001667800000000, 0.0002370000000000 ] - [ -0.0014982400000000, 0.0017480500000000, 0.0018290600000000 ] - [ 0.0005192500000000, 0.0004668800000000, 0.0004668800000000 ] - [ -0.0014964600000000, 0.0016916100000000, -0.0018271700000000 ] - [ -0.0006359500000000, 0.0001395100000000, -0.0002615400000000 ] - [ -0.0001662100000000, 0.0002618300000000, -0.0002391100000000 ] - [ 0.0257855700000000, -0.0236308200000000, 0.0236308200000000 ] - [ 0.0005585800000000, 0.0004736000000000, -0.0004736000000000 ] - [ -0.0006359500000000, 0.0002615400000000, -0.0001395100000000 ] - [ -0.0014964600000000, 0.0018271700000000, -0.0016916100000000 ] - [ 0.0002930500000000, 0.0001079500000000, -0.0001079500000000 ] - [ -0.0001662100000000, 0.0002391100000000, -0.0002618300000000 ] - [ -0.0007581500000000, 0.0003828700000000, -0.0003828700000000 ] - [ -0.0001662100000000, -0.0002391100000000, 0.0002618300000000 ] - [ -0.0006359500000000, -0.0002615400000000, 0.0001395100000000 ] - [ -0.0014964600000000, -0.0018271700000000, 0.0016916100000000 ] - [ 0.0002930500000000, -0.0001079500000000, 0.0001079500000000 ] - [ 0.0005585800000000, -0.0004736000000000, 0.0004736000000000 ] - [ -0.0006359500000000, -0.0001395100000000, 0.0002615400000000 ] - [ -0.0001662100000000, -0.0002618300000000, 0.0002391100000000 ] - [ 0.0257855700000000, 0.0236308200000000, -0.0236308200000000 ] - [ -0.0014964600000000, -0.0016916100000000, 0.0018271700000000 ] - [ -0.0007581500000000, -0.0003828700000000, 0.0003828700000000 ] - [ -0.0032685300000000, -0.0011797400000000, -0.0011797400000000 ] - [ 0.0060645000000000, 0.0014226900000000, 0.0084506900000000 ] - [ 0.0002082500000000, 0.0002659400000000, 0.0002659400000000 ] - [ 0.0014898500000000, -0.0005921900000000, -0.0005921900000000 ] - [ 0.0012169400000000, 0.0001940600000000, 0.0009889200000000 ] - [ 0.0060645000000000, 0.0084506900000000, 0.0014226900000000 ] - [ 0.0013979800000000, 0.0006507700000000, -0.0006507700000000 ] - [ 0.0003300200000000, 0.0001344800000000, 0.0001038000000000 ] - [ 0.0003300200000000, 0.0001038000000000, 0.0001344800000000 ] - [ -0.0002144700000000, 0.0000029600000000, 0.0001634100000000 ] - [ 0.0013979800000000, -0.0006507700000000, 0.0006507700000000 ] - [ -0.1448468500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009831300000000, 0.0006912900000000, 0.0006912900000000 ] - [ -0.0002144700000000, 0.0001634100000000, 0.0000029600000000 ] - [ -0.0002733600000000, 0.0010489600000000, 0.0006373000000000 ] - [ -0.0002733600000000, 0.0006373000000000, 0.0010489600000000 ] - [ 0.0012169400000000, 0.0009889200000000, 0.0001940600000000 ] - [ 0.0008718500000000, -0.0000995200000000, 0.0000072300000000 ] - [ 0.0014898500000000, 0.0005921900000000, 0.0005921900000000 ] - [ 0.0008718500000000, 0.0000072300000000, -0.0000995200000000 ] - [ 0.0022209000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007275600000000, -0.0002163700000000, -0.0002163700000000 ] - [ -0.0007275600000000, 0.0002163700000000, 0.0002163700000000 ] - [ -0.0002144700000000, -0.0000029600000000, -0.0001634100000000 ] - [ 0.0009831300000000, -0.0006912900000000, -0.0006912900000000 ] - [ 0.0003248300000000, 0.0001800700000000, 0.0001800700000000 ] - [ 0.0003300200000000, -0.0001038000000000, -0.0001344800000000 ] - [ -0.0002144700000000, -0.0001634100000000, -0.0000029600000000 ] - [ 0.0002415900000000, -0.0001239400000000, 0.0001239400000000 ] - [ 0.0012169400000000, -0.0009889200000000, -0.0001940600000000 ] - [ 0.0012169400000000, -0.0001940600000000, -0.0009889200000000 ] - [ 0.0060645000000000, -0.0014226900000000, -0.0084506900000000 ] - [ 0.0002415900000000, 0.0001239400000000, -0.0001239400000000 ] - [ -0.0003913500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002082500000000, -0.0002659400000000, -0.0002659400000000 ] - [ 0.0060645000000000, -0.0084506900000000, -0.0014226900000000 ] - [ -0.0002733600000000, -0.0006373000000000, -0.0010489600000000 ] - [ -0.0002733600000000, -0.0010489600000000, -0.0006373000000000 ] - [ 0.0003300200000000, -0.0001344800000000, -0.0001038000000000 ] - [ 0.0008718500000000, -0.0000072300000000, 0.0000995200000000 ] - [ 0.0003248300000000, -0.0001800700000000, -0.0001800700000000 ] - [ 0.0008718500000000, 0.0000995200000000, -0.0000072300000000 ] - [ 0.0003220300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0032685300000000, 0.0011797400000000, 0.0011797400000000 ] - [ 0.0008601900000000, -0.0000250700000000, -0.0001098300000000 ] - [ 0.0012234000000000, -0.0002295900000000, 0.0009927500000000 ] - [ -0.0002229400000000, -0.0010049200000000, 0.0006904200000000 ] - [ -0.0003824200000000, 0.0006535100000000, -0.0007341900000000 ] - [ 0.0061264200000000, -0.0014786100000000, 0.0085568200000000 ] - [ 0.0003352900000000, -0.0001365200000000, 0.0000660500000000 ] - [ -0.0004629900000000, -0.0005898900000000, -0.0007968900000000 ] - [ 0.0061264200000000, -0.0085568200000000, 0.0014786100000000 ] - [ -0.0002316700000000, 0.0000124400000000, 0.0001797500000000 ] - [ 0.0003352900000000, -0.0000660500000000, 0.0001365200000000 ] - [ -0.0004629900000000, 0.0005898900000000, 0.0007968900000000 ] - [ 0.0008709800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002229400000000, -0.0006904200000000, 0.0010049200000000 ] - [ 0.0012234000000000, -0.0009927500000000, 0.0002295900000000 ] - [ 0.0001632200000000, -0.0002148200000000, 0.0002148200000000 ] - [ 0.0009373700000000, -0.0007498800000000, 0.0007498800000000 ] - [ -0.0002316700000000, -0.0001797500000000, -0.0000124400000000 ] - [ -0.0007211300000000, 0.0002111100000000, -0.0002111100000000 ] - [ -0.0003824200000000, -0.0006535100000000, 0.0007341900000000 ] - [ -0.0032674200000000, 0.0011983300000000, -0.0011983300000000 ] - [ -0.0005505000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008601900000000, 0.0001098300000000, 0.0000250700000000 ] - [ 0.0008601900000000, -0.0001098300000000, -0.0000250700000000 ] - [ 0.0003352900000000, 0.0000660500000000, -0.0001365200000000 ] - [ -0.0002229400000000, 0.0006904200000000, -0.0010049200000000 ] - [ -0.0003824200000000, -0.0007341900000000, 0.0006535100000000 ] - [ -0.0002316700000000, -0.0000124400000000, -0.0001797500000000 ] - [ 0.0012234000000000, 0.0009927500000000, -0.0002295900000000 ] - [ -0.0004629900000000, 0.0007968900000000, 0.0005898900000000 ] - [ -0.0002316700000000, 0.0001797500000000, 0.0000124400000000 ] - [ 0.0061264200000000, 0.0014786100000000, -0.0085568200000000 ] - [ 0.0012234000000000, 0.0002295900000000, -0.0009927500000000 ] - [ -0.0004629900000000, -0.0007968900000000, -0.0005898900000000 ] - [ 0.0008709800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002229400000000, 0.0010049200000000, -0.0006904200000000 ] - [ 0.0003352900000000, 0.0001365200000000, -0.0000660500000000 ] - [ 0.0009373700000000, 0.0007498800000000, -0.0007498800000000 ] - [ 0.0001632200000000, 0.0002148200000000, -0.0002148200000000 ] - [ 0.0061264200000000, 0.0085568200000000, -0.0014786100000000 ] - [ -0.0032674200000000, -0.0011983300000000, 0.0011983300000000 ] - [ -0.0003824200000000, 0.0007341900000000, -0.0006535100000000 ] - [ -0.0007211300000000, -0.0002111100000000, 0.0002111100000000 ] - [ -0.0005505000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008601900000000, 0.0000250700000000, 0.0001098300000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0068755700000000, -0.0001838000000000, 0.0000033900000000 ] - [ 0.0068755700000000, -0.0000033900000000, 0.0001838000000000 ] - [ 0.0068755700000000, 0.0000033900000000, -0.0001838000000000 ] - [ 0.0068755700000000, 0.0001838000000000, -0.0000033900000000 ] - [ 0.0029566100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022822800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005388300000000, -0.0001454300000000, -0.0000290300000000 ] - [ 0.0005388300000000, 0.0000290300000000, 0.0001454300000000 ] - [ 0.0005388300000000, -0.0000290300000000, -0.0001454300000000 ] - [ 0.0005388300000000, 0.0001454300000000, 0.0000290300000000 ] - [ 0.0000474400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000935100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016298800000000, 0.0001305700000000, -0.0000116800000000 ] - [ -0.0005963900000000, 0.0000143300000000, -0.0000766800000000 ] - [ -0.0005963900000000, -0.0000143300000000, 0.0000766800000000 ] - [ -0.0016298800000000, -0.0001305700000000, 0.0000116800000000 ] - [ -0.0002412100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002078100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005963900000000, 0.0000766800000000, -0.0000143300000000 ] - [ -0.0016298800000000, 0.0000116800000000, -0.0001305700000000 ] - [ -0.0016298800000000, -0.0000116800000000, 0.0001305700000000 ] - [ -0.0005963900000000, -0.0000766800000000, 0.0000143300000000 ] - [ -0.0002412100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002078100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024025600000000, 0.0020028100000000, 0.0020028100000000 ] - [ 0.0007825000000000, 0.0015988300000000, 0.0000637900000000 ] - [ -0.0005067400000000, 0.0003040100000000, 0.0003040100000000 ] - [ 0.0007825000000000, 0.0000637900000000, 0.0015988300000000 ] - [ -0.0005067400000000, -0.0003040100000000, -0.0003040100000000 ] - [ 0.0007825000000000, -0.0000637900000000, -0.0015988300000000 ] - [ -0.0024025600000000, -0.0020028100000000, -0.0020028100000000 ] - [ 0.0007825000000000, -0.0015988300000000, -0.0000637900000000 ] - [ 0.0007570500000000, -0.0000720500000000, 0.0015982600000000 ] - [ -0.0005199300000000, -0.0003051800000000, 0.0003051800000000 ] - [ 0.0007570500000000, -0.0015982600000000, 0.0000720500000000 ] - [ -0.0024185800000000, -0.0019699000000000, 0.0019699000000000 ] - [ 0.0007570500000000, 0.0015982600000000, -0.0000720500000000 ] - [ -0.0024185800000000, 0.0019699000000000, -0.0019699000000000 ] - [ 0.0007570500000000, 0.0000720500000000, -0.0015982600000000 ] - [ -0.0005199300000000, 0.0003051800000000, -0.0003051800000000 ] - [ -0.0001205400000000, 0.0000614100000000, 0.0017793900000000 ] - [ -0.0026071600000000, 0.0001978000000000, 0.0001978000000000 ] - [ -0.0001205400000000, 0.0017793900000000, 0.0000614100000000 ] - [ 0.0004251300000000, -0.0000427500000000, 0.0001832400000000 ] - [ 0.0013310900000000, 0.0007846100000000, 0.0007846100000000 ] - [ -0.0002910800000000, 0.0000543300000000, 0.0000543300000000 ] - [ -0.0000047400000000, 0.0001278200000000, 0.0002564800000000 ] - [ 0.0004251300000000, 0.0001832400000000, -0.0000427500000000 ] - [ -0.0000047400000000, 0.0002564800000000, 0.0001278200000000 ] - [ -0.0006310200000000, 0.0001166900000000, 0.0001166900000000 ] - [ -0.0000047400000000, -0.0002564800000000, -0.0001278200000000 ] - [ -0.0002910800000000, -0.0000543300000000, -0.0000543300000000 ] - [ -0.0000047400000000, -0.0001278200000000, -0.0002564800000000 ] - [ 0.0004251300000000, -0.0001832400000000, 0.0000427500000000 ] - [ 0.0013310900000000, -0.0007846100000000, -0.0007846100000000 ] - [ -0.0026071600000000, -0.0001978000000000, -0.0001978000000000 ] - [ -0.0001205400000000, -0.0017793900000000, -0.0000614100000000 ] - [ 0.0004251300000000, 0.0000427500000000, -0.0001832400000000 ] - [ -0.0001205400000000, -0.0000614100000000, -0.0017793900000000 ] - [ -0.0006310200000000, -0.0001166900000000, -0.0001166900000000 ] - [ -0.0001044600000000, -0.0001054400000000, 0.0017957900000000 ] - [ 0.0004066400000000, 0.0000193100000000, 0.0001528600000000 ] - [ 0.0000004900000000, -0.0001280500000000, 0.0002209400000000 ] - [ -0.0025983500000000, -0.0002340000000000, 0.0002340000000000 ] - [ -0.0005904900000000, -0.0001216800000000, 0.0001216800000000 ] - [ 0.0004066400000000, -0.0001528600000000, -0.0000193100000000 ] - [ -0.0001044600000000, -0.0017957900000000, 0.0001054400000000 ] - [ -0.0002650200000000, -0.0000301900000000, 0.0000301900000000 ] - [ 0.0000004900000000, -0.0002209400000000, 0.0001280500000000 ] - [ 0.0013049100000000, -0.0007843600000000, 0.0007843600000000 ] - [ 0.0000004900000000, 0.0002209400000000, -0.0001280500000000 ] - [ 0.0004066400000000, 0.0001528600000000, 0.0000193100000000 ] - [ -0.0001044600000000, 0.0017957900000000, -0.0001054400000000 ] - [ -0.0002650200000000, 0.0000301900000000, -0.0000301900000000 ] - [ -0.0005904900000000, 0.0001216800000000, -0.0001216800000000 ] - [ 0.0004066400000000, -0.0000193100000000, -0.0001528600000000 ] - [ 0.0000004900000000, 0.0001280500000000, -0.0002209400000000 ] - [ -0.0025983500000000, 0.0002340000000000, -0.0002340000000000 ] - [ -0.0001044600000000, 0.0001054400000000, -0.0017957900000000 ] - [ 0.0013049100000000, 0.0007843600000000, -0.0007843600000000 ] - [ 0.0018071300000000, 0.0001333800000000, 0.0001333800000000 ] - [ 0.0028069900000000, -0.0000457800000000, -0.0032483000000000 ] - [ -0.0001359700000000, -0.0003757300000000, -0.0003757300000000 ] - [ 0.0003785300000000, 0.0027975400000000, 0.0027975400000000 ] - [ -0.0010525800000000, -0.0000998800000000, -0.0003907900000000 ] - [ 0.0028069900000000, -0.0032483000000000, -0.0000457800000000 ] - [ 0.0003265300000000, -0.0028146900000000, 0.0028146900000000 ] - [ -0.0002438600000000, -0.0000598800000000, -0.0002400000000000 ] - [ -0.0002438600000000, -0.0002400000000000, -0.0000598800000000 ] - [ 0.0002265800000000, -0.0000306700000000, -0.0000984700000000 ] - [ 0.0003265300000000, 0.0028146900000000, -0.0028146900000000 ] - [ 0.0022018300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005860900000000, -0.0025781000000000, -0.0025781000000000 ] - [ 0.0002265800000000, -0.0000984700000000, -0.0000306700000000 ] - [ 0.0003103700000000, -0.0007583500000000, -0.0002571700000000 ] - [ 0.0003103700000000, -0.0002571700000000, -0.0007583500000000 ] - [ -0.0010525800000000, -0.0003907900000000, -0.0000998800000000 ] - [ -0.0010003600000000, 0.0002189300000000, -0.0000872500000000 ] - [ 0.0003785300000000, -0.0027975400000000, -0.0027975400000000 ] - [ -0.0010003600000000, -0.0000872500000000, 0.0002189300000000 ] - [ -0.0401600200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005325200000000, 0.0000637600000000, 0.0000637600000000 ] - [ 0.0005325200000000, -0.0000637600000000, -0.0000637600000000 ] - [ 0.0002265800000000, 0.0000306700000000, 0.0000984700000000 ] - [ 0.0005860900000000, 0.0025781000000000, 0.0025781000000000 ] - [ -0.0001336600000000, -0.0003808100000000, -0.0003808100000000 ] - [ -0.0002438600000000, 0.0002400000000000, 0.0000598800000000 ] - [ 0.0002265800000000, 0.0000984700000000, 0.0000306700000000 ] - [ -0.0001603400000000, 0.0003761400000000, -0.0003761400000000 ] - [ -0.0010525800000000, 0.0003907900000000, 0.0000998800000000 ] - [ -0.0010525800000000, 0.0000998800000000, 0.0003907900000000 ] - [ 0.0028069900000000, 0.0000457800000000, 0.0032483000000000 ] - [ -0.0001603400000000, -0.0003761400000000, 0.0003761400000000 ] - [ 0.0003162700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001359700000000, 0.0003757300000000, 0.0003757300000000 ] - [ 0.0028069900000000, 0.0032483000000000, 0.0000457800000000 ] - [ 0.0003103700000000, 0.0002571700000000, 0.0007583500000000 ] - [ 0.0003103700000000, 0.0007583500000000, 0.0002571700000000 ] - [ -0.0002438600000000, 0.0000598800000000, 0.0002400000000000 ] - [ -0.0010003600000000, 0.0000872500000000, -0.0002189300000000 ] - [ -0.0001336600000000, 0.0003808100000000, 0.0003808100000000 ] - [ -0.0010003600000000, -0.0002189300000000, 0.0000872500000000 ] - [ -0.0003516700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018071300000000, -0.0001333800000000, -0.0001333800000000 ] - [ -0.0009873900000000, 0.0000576200000000, 0.0001600800000000 ] - [ -0.0010629700000000, 0.0000942700000000, -0.0004245900000000 ] - [ 0.0003374000000000, 0.0007701300000000, -0.0002337800000000 ] - [ 0.0005622700000000, -0.0003020100000000, 0.0005833000000000 ] - [ 0.0028088600000000, 0.0000614400000000, -0.0031850900000000 ] - [ -0.0002717700000000, 0.0000290500000000, -0.0002423900000000 ] - [ 0.0005610500000000, 0.0003128900000000, 0.0005595100000000 ] - [ 0.0028088600000000, 0.0031850900000000, -0.0000614400000000 ] - [ 0.0002538700000000, 0.0000198400000000, -0.0001217400000000 ] - [ -0.0002717700000000, 0.0002423900000000, -0.0000290500000000 ] - [ 0.0005610500000000, -0.0003128900000000, -0.0005595100000000 ] - [ -0.0005392200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003374000000000, 0.0002337800000000, -0.0007701300000000 ] - [ -0.0010629700000000, 0.0004245900000000, -0.0000942700000000 ] - [ -0.0001489800000000, 0.0003934400000000, -0.0003934400000000 ] - [ 0.0005898800000000, 0.0025476500000000, -0.0025476500000000 ] - [ 0.0002538700000000, 0.0001217400000000, -0.0000198400000000 ] - [ 0.0005299900000000, -0.0000474000000000, 0.0000474000000000 ] - [ 0.0005622700000000, 0.0003020100000000, -0.0005833000000000 ] - [ 0.0017985200000000, -0.0001544400000000, 0.0001544400000000 ] - [ 0.0003625300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009873900000000, -0.0001600800000000, -0.0000576200000000 ] - [ -0.0009873900000000, 0.0001600800000000, 0.0000576200000000 ] - [ -0.0002717700000000, -0.0002423900000000, 0.0000290500000000 ] - [ 0.0003374000000000, -0.0002337800000000, 0.0007701300000000 ] - [ 0.0005622700000000, 0.0005833000000000, -0.0003020100000000 ] - [ 0.0002538700000000, -0.0000198400000000, 0.0001217400000000 ] - [ -0.0010629700000000, -0.0004245900000000, 0.0000942700000000 ] - [ 0.0005610500000000, -0.0005595100000000, -0.0003128900000000 ] - [ 0.0002538700000000, -0.0001217400000000, 0.0000198400000000 ] - [ 0.0028088600000000, -0.0000614400000000, 0.0031850900000000 ] - [ -0.0010629700000000, -0.0000942700000000, 0.0004245900000000 ] - [ 0.0005610500000000, 0.0005595100000000, 0.0003128900000000 ] - [ -0.0005392200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003374000000000, -0.0007701300000000, 0.0002337800000000 ] - [ -0.0002717700000000, -0.0000290500000000, 0.0002423900000000 ] - [ 0.0005898800000000, -0.0025476500000000, 0.0025476500000000 ] - [ -0.0001489800000000, -0.0003934400000000, 0.0003934400000000 ] - [ 0.0028088600000000, -0.0031850900000000, 0.0000614400000000 ] - [ 0.0017985200000000, 0.0001544400000000, -0.0001544400000000 ] - [ 0.0005622700000000, -0.0005833000000000, 0.0003020100000000 ] - [ 0.0005299900000000, 0.0000474000000000, -0.0000474000000000 ] - [ 0.0003625300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009873900000000, -0.0000576200000000, -0.0001600800000000 ]