# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2ee74d0a-aacf-4650-b377-e58828591efc/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 MgH6(BrN)2 / Pnma (62) / materials id 697170](https://mdr.nims.go.jp/datasets/45638317-8611-458a-abe6-b3af6617c744) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.879222630000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.905710890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.766777560000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.500597020000000, 0.750000000000000, 0.499446140000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.000597020000000, 0.750000000000000, 0.000553860000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.499402980000000, 0.250000000000000, 0.500553860000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.999402980000000, 0.250000000000000, 0.999446140000000 ] mass: 24.305000 - symbol: H # 5 coordinates: [ 0.284864970000000, 0.750000000000000, 0.704822040000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.784864970000000, 0.750000000000000, 0.795177960000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.715135030000000, 0.250000000000000, 0.295177960000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.215135030000000, 0.250000000000000, 0.204822040000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.125843000000000, 0.853191060000000, 0.612701460000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.625843000000000, 0.646808940000000, 0.887298540000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.874157000000000, 0.353191060000000, 0.387298540000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.374157000000000, 0.146808940000000, 0.112701460000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.874157000000000, 0.146808940000000, 0.387298540000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.374157000000000, 0.353191060000000, 0.112701460000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.125843000000000, 0.646808940000000, 0.612701460000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.625843000000000, 0.853191060000000, 0.887298540000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.915968990000000, 0.750000000000000, 0.396374830000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.415968990000000, 0.750000000000000, 0.103625170000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.084031010000000, 0.250000000000000, 0.603625170000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.584031010000000, 0.250000000000000, 0.896374830000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.736478160000000, 0.853170470000000, 0.314459470000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.236478160000000, 0.646829530000000, 0.185540530000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.263521840000000, 0.353170470000000, 0.685540530000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.763521840000000, 0.146829530000000, 0.814459470000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.263521840000000, 0.146829530000000, 0.685540530000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.763521840000000, 0.353170470000000, 0.814459470000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.736478160000000, 0.646829530000000, 0.314459470000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.236478160000000, 0.853170470000000, 0.185540530000000 ] mass: 1.007940 - symbol: Br # 29 coordinates: [ 0.224585230000000, 0.997005300000000, 0.885560480000000 ] mass: 79.904000 - symbol: Br # 30 coordinates: [ 0.724585230000000, 0.502994700000000, 0.614439520000000 ] mass: 79.904000 - symbol: Br # 31 coordinates: [ 0.775414770000000, 0.497005300000000, 0.114439520000000 ] mass: 79.904000 - symbol: Br # 32 coordinates: [ 0.275414770000000, 0.002994700000000, 0.385560480000000 ] mass: 79.904000 - symbol: Br # 33 coordinates: [ 0.775414770000000, 0.002994700000000, 0.114439520000000 ] mass: 79.904000 - symbol: Br # 34 coordinates: [ 0.275414770000000, 0.497005300000000, 0.385560480000000 ] mass: 79.904000 - symbol: Br # 35 coordinates: [ 0.224585230000000, 0.502994700000000, 0.885560480000000 ] mass: 79.904000 - symbol: Br # 36 coordinates: [ 0.724585230000000, 0.997005300000000, 0.614439520000000 ] mass: 79.904000 - symbol: N # 37 coordinates: [ 0.232148930000000, 0.750000000000000, 0.621389460000000 ] mass: 14.006700 - symbol: N # 38 coordinates: [ 0.732148930000000, 0.750000000000000, 0.878610540000000 ] mass: 14.006700 - symbol: N # 39 coordinates: [ 0.767851070000000, 0.250000000000000, 0.378610540000000 ] mass: 14.006700 - symbol: N # 40 coordinates: [ 0.267851070000000, 0.250000000000000, 0.121389460000000 ] mass: 14.006700 - symbol: N # 41 coordinates: [ 0.750440460000000, 0.750000000000000, 0.367778530000000 ] mass: 14.006700 - symbol: N # 42 coordinates: [ 0.250440460000000, 0.750000000000000, 0.132221470000000 ] mass: 14.006700 - symbol: N # 43 coordinates: [ 0.249559540000000, 0.250000000000000, 0.632221470000000 ] mass: 14.006700 - symbol: N # 44 coordinates: [ 0.749559540000000, 0.250000000000000, 0.867778530000000 ] mass: 14.006700 reciprocal_lattice: # without 2pi - [ 0.170090514160373, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.126490838574037, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.084985034764267 ] # c*unit_cell: lattice: - [ 5.879222630000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.905710890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.766777560000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.500597020000000, 0.750000000000000, 0.499446140000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.000597020000000, 0.750000000000000, 0.000553860000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.499402980000000, 0.250000000000000, 0.500553860000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.999402980000000, 0.250000000000000, 0.999446140000000 ] mass: 24.305000 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.284864970000000, 0.750000000000000, 0.704822040000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.784864970000000, 0.750000000000000, 0.795177960000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.715135030000000, 0.250000000000000, 0.295177960000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.215135030000000, 0.250000000000000, 0.204822040000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.125843000000000, 0.853191060000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.625843000000000, 0.646808940000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.874157000000000, 0.353191060000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.374157000000000, 0.146808940000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.874157000000000, 0.146808940000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.374157000000000, 0.353191060000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.125843000000000, 0.646808940000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.625843000000000, 0.853191060000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.915968990000000, 0.750000000000000, 0.396374830000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.415968990000000, 0.750000000000000, 0.103625170000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.084031010000000, 0.250000000000000, 0.603625170000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.584031010000000, 0.250000000000000, 0.896374830000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.736478160000000, 0.853170470000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.236478160000000, 0.646829530000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.263521840000000, 0.353170470000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.763521840000000, 0.146829530000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.263521840000000, 0.146829530000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.763521840000000, 0.353170470000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.736478160000000, 0.646829530000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.236478160000000, 0.853170470000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 28 - symbol: Br # 29 coordinates: [ 0.224585230000000, 0.997005300000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.724585230000000, 0.502994700000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 30 - symbol: Br # 31 coordinates: [ 0.775414770000000, 0.497005300000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 32 coordinates: [ 0.275414770000000, 0.002994700000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 32 - symbol: Br # 33 coordinates: [ 0.775414770000000, 0.002994700000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.275414770000000, 0.497005300000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 34 - symbol: Br # 35 coordinates: [ 0.224585230000000, 0.502994700000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 36 coordinates: [ 0.724585230000000, 0.997005300000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 36 - symbol: N # 37 coordinates: [ 0.232148930000000, 0.750000000000000, 0.621389460000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 38 coordinates: [ 0.732148930000000, 0.750000000000000, 0.878610540000000 ] mass: 14.006700 reduced_to: 38 - symbol: N # 39 coordinates: [ 0.767851070000000, 0.250000000000000, 0.378610540000000 ] mass: 14.006700 reduced_to: 39 - symbol: N # 40 coordinates: [ 0.267851070000000, 0.250000000000000, 0.121389460000000 ] mass: 14.006700 reduced_to: 40 - symbol: N # 41 coordinates: [ 0.750440460000000, 0.750000000000000, 0.367778530000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 42 coordinates: [ 0.250440460000000, 0.750000000000000, 0.132221470000000 ] mass: 14.006700 reduced_to: 42 - symbol: N # 43 coordinates: [ 0.249559540000000, 0.250000000000000, 0.632221470000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 44 coordinates: [ 0.749559540000000, 0.250000000000000, 0.867778530000000 ] mass: 14.006700 reduced_to: 44supercell: lattice: - [ 11.758445260000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.905710890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.766777560000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.250298510000000, 0.750000000000000, 0.499446140000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.750298510000000, 0.750000000000000, 0.499446140000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.000298510000000, 0.750000000000000, 0.000553860000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.500298510000000, 0.750000000000000, 0.000553860000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 5 coordinates: [ 0.249701490000000, 0.250000000000000, 0.500553860000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.749701490000000, 0.250000000000000, 0.500553860000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 7 coordinates: [ 0.499701490000000, 0.250000000000000, 0.999446140000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.999701490000000, 0.250000000000000, 0.999446140000000 ] mass: 24.305000 reduced_to: 7 - symbol: H # 9 coordinates: [ 0.142432485000000, 0.750000000000000, 0.704822040000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.642432485000000, 0.750000000000000, 0.704822040000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 11 coordinates: [ 0.392432485000000, 0.750000000000000, 0.795177960000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.892432485000000, 0.750000000000000, 0.795177960000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 13 coordinates: [ 0.357567515000000, 0.250000000000000, 0.295177960000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.857567515000000, 0.250000000000000, 0.295177960000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.107567515000000, 0.250000000000000, 0.204822040000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.607567515000000, 0.250000000000000, 0.204822040000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.062921500000000, 0.853191060000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.562921500000000, 0.853191060000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.312921500000000, 0.646808940000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.812921500000000, 0.646808940000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.437078500000000, 0.353191060000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.937078500000000, 0.353191060000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.187078500000000, 0.146808940000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.687078500000000, 0.146808940000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.437078500000000, 0.146808940000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.937078500000000, 0.146808940000000, 0.387298540000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.187078500000000, 0.353191060000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.687078500000000, 0.353191060000000, 0.112701460000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 29 coordinates: [ 0.062921500000000, 0.646808940000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.562921500000000, 0.646808940000000, 0.612701460000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.312921500000000, 0.853191060000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.812921500000000, 0.853191060000000, 0.887298540000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.457984495000000, 0.750000000000000, 0.396374830000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.957984495000000, 0.750000000000000, 0.396374830000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.207984495000000, 0.750000000000000, 0.103625170000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.707984495000000, 0.750000000000000, 0.103625170000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 37 coordinates: [ 0.042015505000000, 0.250000000000000, 0.603625170000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.542015505000000, 0.250000000000000, 0.603625170000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.292015505000000, 0.250000000000000, 0.896374830000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.792015505000000, 0.250000000000000, 0.896374830000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.368239080000000, 0.853170470000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.868239080000000, 0.853170470000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.118239080000000, 0.646829530000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.618239080000000, 0.646829530000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.131760920000000, 0.353170470000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.631760920000000, 0.353170470000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.381760920000000, 0.146829530000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.881760920000000, 0.146829530000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 49 coordinates: [ 0.131760920000000, 0.146829530000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.631760920000000, 0.146829530000000, 0.685540530000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.381760920000000, 0.353170470000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.881760920000000, 0.353170470000000, 0.814459470000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.368239080000000, 0.646829530000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.868239080000000, 0.646829530000000, 0.314459470000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.118239080000000, 0.853170470000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.618239080000000, 0.853170470000000, 0.185540530000000 ] mass: 1.007940 reduced_to: 55 - symbol: Br # 57 coordinates: [ 0.112292615000000, 0.997005300000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.612292615000000, 0.997005300000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 59 coordinates: [ 0.362292615000000, 0.502994700000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 60 coordinates: [ 0.862292615000000, 0.502994700000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 59 - symbol: Br # 61 coordinates: [ 0.387707385000000, 0.497005300000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.887707385000000, 0.497005300000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 63 coordinates: [ 0.137707385000000, 0.002994700000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 64 coordinates: [ 0.637707385000000, 0.002994700000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 65 coordinates: [ 0.387707385000000, 0.002994700000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.887707385000000, 0.002994700000000, 0.114439520000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 67 coordinates: [ 0.137707385000000, 0.497005300000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 68 coordinates: [ 0.637707385000000, 0.497005300000000, 0.385560480000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 69 coordinates: [ 0.112292615000000, 0.502994700000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.612292615000000, 0.502994700000000, 0.885560480000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 71 coordinates: [ 0.362292615000000, 0.997005300000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 72 coordinates: [ 0.862292615000000, 0.997005300000000, 0.614439520000000 ] mass: 79.904000 reduced_to: 71 - symbol: N # 73 coordinates: [ 0.116074465000000, 0.750000000000000, 0.621389460000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.616074465000000, 0.750000000000000, 0.621389460000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 75 coordinates: [ 0.366074465000000, 0.750000000000000, 0.878610540000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.866074465000000, 0.750000000000000, 0.878610540000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 77 coordinates: [ 0.383925535000000, 0.250000000000000, 0.378610540000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.883925535000000, 0.250000000000000, 0.378610540000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 79 coordinates: [ 0.133925535000000, 0.250000000000000, 0.121389460000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.633925535000000, 0.250000000000000, 0.121389460000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 81 coordinates: [ 0.375220230000000, 0.750000000000000, 0.367778530000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.875220230000000, 0.750000000000000, 0.367778530000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 83 coordinates: [ 0.125220230000000, 0.750000000000000, 0.132221470000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.625220230000000, 0.750000000000000, 0.132221470000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 85 coordinates: [ 0.124779770000000, 0.250000000000000, 0.632221470000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.624779770000000, 0.250000000000000, 0.632221470000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 87 coordinates: [ 0.374779770000000, 0.250000000000000, 0.867778530000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.874779770000000, 0.250000000000000, 0.867778530000000 ] mass: 14.006700 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0813233900000000, 0.0000000000000000, 0.0395195800000000 ] - [ 0.0037555800000000, 0.0000000000000000, 0.0004307400000000 ] - [ 0.0010130600000000, 0.0000000000000000, 0.0000743600000000 ] - [ 0.0010124000000000, 0.0000000000000000, -0.0000872300000000 ] - [ -0.0094748300000000, 0.0000000000000000, -0.0073274100000000 ] - [ 0.0018775600000000, 0.0000000000000000, 0.0004922600000000 ] - [ 0.0001759400000000, 0.0000000000000000, 0.0008334100000000 ] - [ -0.0001354700000000, 0.0000000000000000, 0.0006977000000000 ] - [ -0.0016661800000000, 0.0000000000000000, 0.0007142700000000 ] - [ 0.0008635300000000, 0.0000000000000000, 0.0007746500000000 ] - [ 0.0006735900000000, 0.0000000000000000, 0.0001524600000000 ] - [ 0.0009688400000000, 0.0000000000000000, -0.0009438400000000 ] - [ -0.0017703100000000, 0.0000000000000000, -0.0001659100000000 ] - [ -0.0001450700000000, 0.0000000000000000, -0.0006497600000000 ] - [ -0.0001484800000000, 0.0000000000000000, 0.0018252900000000 ] - [ -0.0005313700000000, 0.0000000000000000, 0.0005578700000000 ] - [ 0.0037374600000000, -0.0010661700000000, -0.0037637800000000 ] - [ 0.0001441600000000, 0.0000409900000000, -0.0003920600000000 ] - [ -0.0015312900000000, 0.0001307200000000, 0.0008684000000000 ] - [ -0.0005656600000000, 0.0002268700000000, 0.0007639000000000 ] - [ 0.0016883400000000, -0.0007500400000000, 0.0002017000000000 ] - [ 0.0017348200000000, 0.0000067200000000, 0.0007088900000000 ] - [ 0.0002357800000000, 0.0003040300000000, -0.0004350500000000 ] - [ 0.0012403300000000, 0.0000649900000000, -0.0007245600000000 ] - [ 0.0016883400000000, 0.0007500400000000, 0.0002017000000000 ] - [ 0.0017348200000000, -0.0000067200000000, 0.0007088900000000 ] - [ 0.0002357800000000, -0.0003040300000000, -0.0004350500000000 ] - [ 0.0012403300000000, -0.0000649900000000, -0.0007245600000000 ] - [ 0.0037374600000000, 0.0010661700000000, -0.0037637800000000 ] - [ 0.0001441600000000, -0.0000409900000000, -0.0003920600000000 ] - [ -0.0015312900000000, -0.0001307200000000, 0.0008684000000000 ] - [ -0.0005656600000000, -0.0002268700000000, 0.0007639000000000 ] - [ 0.0052701200000000, 0.0000000000000000, -0.0051136500000000 ] - [ 0.0009873900000000, 0.0000000000000000, 0.0006131700000000 ] - [ -0.0007100800000000, 0.0000000000000000, 0.0000198700000000 ] - [ 0.0000846500000000, 0.0000000000000000, 0.0001422900000000 ] - [ 0.0008234500000000, 0.0000000000000000, -0.0007634500000000 ] - [ 0.0009828800000000, 0.0000000000000000, -0.0000075400000000 ] - [ -0.0004075100000000, 0.0000000000000000, 0.0000471600000000 ] - [ 0.0004732800000000, 0.0000000000000000, -0.0000438400000000 ] - [ -0.0004730800000000, 0.0017698900000000, -0.0007381700000000 ] - [ 0.0005061700000000, 0.0001653100000000, 0.0003519600000000 ] - [ 0.0002011100000000, -0.0007321400000000, 0.0006183800000000 ] - [ 0.0004274900000000, -0.0004330700000000, -0.0004367600000000 ] - [ -0.0010719600000000, 0.0006462500000000, -0.0003063000000000 ] - [ 0.0002583600000000, 0.0004747400000000, -0.0002405300000000 ] - [ 0.0000144800000000, -0.0001980800000000, 0.0016003900000000 ] - [ -0.0001464900000000, -0.0004377800000000, 0.0000950400000000 ] - [ -0.0010719600000000, -0.0006462500000000, -0.0003063000000000 ] - [ 0.0002583600000000, -0.0004747400000000, -0.0002405300000000 ] - [ 0.0000144800000000, 0.0001980800000000, 0.0016003900000000 ] - [ -0.0001464900000000, 0.0004377800000000, 0.0000950400000000 ] - [ -0.0004730800000000, -0.0017698900000000, -0.0007381700000000 ] - [ 0.0005061700000000, -0.0001653100000000, 0.0003519600000000 ] - [ 0.0002011100000000, 0.0007321400000000, 0.0006183800000000 ] - [ 0.0004274900000000, 0.0004330700000000, -0.0004367600000000 ] - [ 0.0009067400000000, 0.0000307900000000, -0.0004179700000000 ] - [ -0.0000620700000000, -0.0002958100000000, -0.0007873600000000 ] - [ 0.0064749600000000, -0.0022376600000000, 0.0032733800000000 ] - [ -0.0011885300000000, -0.0001153900000000, 0.0004726000000000 ] - [ -0.0001693300000000, 0.0001009200000000, 0.0010280400000000 ] - [ -0.0009933800000000, -0.0003358700000000, 0.0003311600000000 ] - [ 0.0048261600000000, -0.0012126700000000, 0.0015420400000000 ] - [ -0.0019032800000000, -0.0000481300000000, -0.0006965100000000 ] - [ -0.0001693300000000, -0.0001009200000000, 0.0010280400000000 ] - [ -0.0009933800000000, 0.0003358700000000, 0.0003311600000000 ] - [ 0.0048261600000000, 0.0012126700000000, 0.0015420400000000 ] - [ -0.0019032800000000, 0.0000481300000000, -0.0006965100000000 ] - [ 0.0009067400000000, -0.0000307900000000, -0.0004179700000000 ] - [ -0.0000620700000000, 0.0002958100000000, -0.0007873600000000 ] - [ 0.0064749600000000, 0.0022376600000000, 0.0032733800000000 ] - [ -0.0011885300000000, 0.0001153900000000, 0.0004726000000000 ] - [ 0.0270679100000000, 0.0000000000000000, -0.0182676500000000 ] - [ -0.0012186400000000, 0.0000000000000000, -0.0006402000000000 ] - [ 0.0009263800000000, 0.0000000000000000, -0.0001001100000000 ] - [ -0.0000820500000000, 0.0000000000000000, 0.0003961200000000 ] - [ 0.0008509000000000, 0.0000000000000000, 0.0017908900000000 ] - [ -0.0021073300000000, 0.0000000000000000, 0.0004860700000000 ] - [ -0.0001285000000000, 0.0000000000000000, -0.0015983800000000 ] - [ -0.0008739600000000, 0.0000000000000000, -0.0005123200000000 ] - [ 0.0244924200000000, 0.0000000000000000, -0.0182548900000000 ] - [ -0.0020601700000000, 0.0000000000000000, -0.0003835700000000 ] - [ -0.0008548200000000, 0.0000000000000000, -0.0006857700000000 ] - [ -0.0013381800000000, 0.0000000000000000, 0.0003051800000000 ] - [ 0.0032523700000000, 0.0000000000000000, 0.0018388500000000 ] - [ -0.0005944100000000, 0.0000000000000000, 0.0002438800000000 ] - [ 0.0007066800000000, 0.0000000000000000, -0.0020781600000000 ] - [ 0.0007292500000000, 0.0000000000000000, -0.0001660500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0828720200000000, 0.0000000000000000, -0.0390783100000000 ] - [ -0.0023830100000000, 0.0000000000000000, 0.0000270800000000 ] - [ 0.0003688900000000, 0.0000000000000000, -0.0005342700000000 ] - [ 0.0003681200000000, 0.0000000000000000, -0.0003720000000000 ] - [ 0.0080994900000000, 0.0000000000000000, 0.0068688500000000 ] - [ -0.0032535200000000, 0.0000000000000000, -0.0009504200000000 ] - [ -0.0015572900000000, 0.0000000000000000, -0.0003778900000000 ] - [ -0.0012431300000000, 0.0000000000000000, -0.0002402500000000 ] - [ 0.0027940400000000, 0.0000000000000000, 0.0006122600000000 ] - [ 0.0002628500000000, 0.0000000000000000, 0.0005662800000000 ] - [ 0.0004524500000000, 0.0000000000000000, -0.0014959700000000 ] - [ 0.0001619400000000, 0.0000000000000000, -0.0003995700000000 ] - [ 0.0006449000000000, 0.0000000000000000, -0.0011783500000000 ] - [ -0.0009790600000000, 0.0000000000000000, -0.0006918200000000 ] - [ -0.0009808600000000, 0.0000000000000000, -0.0004816200000000 ] - [ -0.0005955000000000, 0.0000000000000000, 0.0007830500000000 ] - [ -0.0056246800000000, 0.0008311000000000, 0.0023669000000000 ] - [ -0.0019625500000000, -0.0002863300000000, -0.0010616600000000 ] - [ -0.0002930800000000, 0.0001191800000000, 0.0005868300000000 ] - [ -0.0012571400000000, 0.0000233700000000, 0.0006925300000000 ] - [ 0.0001358000000000, 0.0004986600000000, 0.0012536200000000 ] - [ 0.0000944500000000, -0.0002589500000000, 0.0007445000000000 ] - [ 0.0015889700000000, -0.0000541100000000, -0.0010239100000000 ] - [ 0.0005866600000000, 0.0001836900000000, -0.0007343100000000 ] - [ 0.0001358000000000, -0.0004986600000000, 0.0012536200000000 ] - [ 0.0000944500000000, 0.0002589500000000, 0.0007445000000000 ] - [ 0.0015889700000000, 0.0000541100000000, -0.0010239100000000 ] - [ 0.0005866600000000, -0.0001836900000000, -0.0007343100000000 ] - [ -0.0056246800000000, -0.0008311000000000, 0.0023669000000000 ] - [ -0.0019625500000000, 0.0002863300000000, -0.0010616600000000 ] - [ -0.0002930800000000, -0.0001191800000000, 0.0005868300000000 ] - [ -0.0012571400000000, -0.0000233700000000, 0.0006925300000000 ] - [ -0.0055757300000000, 0.0000000000000000, 0.0048729800000000 ] - [ -0.0013997500000000, 0.0000000000000000, -0.0007754300000000 ] - [ 0.0003047600000000, 0.0000000000000000, 0.0001328600000000 ] - [ -0.0004857100000000, 0.0000000000000000, 0.0000080200000000 ] - [ -0.0004186200000000, 0.0000000000000000, 0.0009122800000000 ] - [ -0.0005817100000000, 0.0000000000000000, 0.0001613600000000 ] - [ 0.0008105300000000, 0.0000000000000000, -0.0001995000000000 ] - [ -0.0000694000000000, 0.0000000000000000, -0.0001094800000000 ] - [ 0.0008687500000000, -0.0010148500000000, 0.0012592300000000 ] - [ -0.0001136600000000, 0.0005892700000000, 0.0001741600000000 ] - [ 0.0001896800000000, -0.0000203300000000, -0.0011483000000000 ] - [ -0.0000381300000000, -0.0003212300000000, -0.0000920000000000 ] - [ 0.0006832600000000, 0.0001096700000000, -0.0002202800000000 ] - [ -0.0006477700000000, 0.0002778600000000, -0.0002888100000000 ] - [ -0.0004007900000000, -0.0005575700000000, -0.0010767300000000 ] - [ -0.0002413200000000, -0.0003171500000000, 0.0004311400000000 ] - [ 0.0006832600000000, -0.0001096700000000, -0.0002202800000000 ] - [ -0.0006477700000000, -0.0002778600000000, -0.0002888100000000 ] - [ -0.0004007900000000, 0.0005575700000000, -0.0010767300000000 ] - [ -0.0002413200000000, 0.0003171500000000, 0.0004311400000000 ] - [ 0.0008687500000000, 0.0010148500000000, 0.0012592300000000 ] - [ -0.0001136600000000, -0.0005892700000000, 0.0001741600000000 ] - [ 0.0001896800000000, 0.0000203300000000, -0.0011483000000000 ] - [ -0.0000381300000000, 0.0003212300000000, -0.0000920000000000 ] - [ 0.0000911700000000, -0.0007330000000000, -0.0007525100000000 ] - [ 0.0010606700000000, -0.0004070900000000, -0.0003817000000000 ] - [ -0.0054217600000000, 0.0028246800000000, -0.0020279300000000 ] - [ 0.0021877500000000, 0.0008207400000000, 0.0006906200000000 ] - [ -0.0008269200000000, -0.0008037200000000, 0.0001397900000000 ] - [ -0.0000031800000000, -0.0003665300000000, 0.0008356500000000 ] - [ -0.0058768100000000, 0.0020120600000000, -0.0027763800000000 ] - [ 0.0009057400000000, 0.0007472900000000, -0.0004697500000000 ] - [ -0.0008269200000000, 0.0008037200000000, 0.0001397900000000 ] - [ -0.0000031800000000, 0.0003665300000000, 0.0008356500000000 ] - [ -0.0058768100000000, -0.0020120600000000, -0.0027763800000000 ] - [ 0.0009057400000000, -0.0007472900000000, -0.0004697500000000 ] - [ 0.0000911700000000, 0.0007330000000000, -0.0007525100000000 ] - [ 0.0010606700000000, 0.0004070900000000, -0.0003817000000000 ] - [ -0.0054217600000000, -0.0028246800000000, -0.0020279300000000 ] - [ 0.0021877500000000, -0.0008207400000000, 0.0006906200000000 ] - [ -0.0271003600000000, 0.0000000000000000, 0.0184077200000000 ] - [ 0.0020425800000000, 0.0000000000000000, -0.0002298700000000 ] - [ -0.0000978600000000, 0.0000000000000000, 0.0009684300000000 ] - [ 0.0009140800000000, 0.0000000000000000, 0.0004723900000000 ] - [ -0.0016759300000000, 0.0000000000000000, -0.0009289600000000 ] - [ 0.0012699000000000, 0.0000000000000000, 0.0003832200000000 ] - [ -0.0006980600000000, 0.0000000000000000, 0.0007291800000000 ] - [ 0.0000427000000000, 0.0000000000000000, -0.0003599500000000 ] - [ -0.0257432500000000, 0.0000000000000000, 0.0168631100000000 ] - [ 0.0001729200000000, 0.0000000000000000, -0.0000930400000000 ] - [ -0.0010300500000000, 0.0000000000000000, 0.0011608500000000 ] - [ -0.0005461200000000, 0.0000000000000000, 0.0001682100000000 ] - [ -0.0013629600000000, 0.0000000000000000, -0.0013645800000000 ] - [ 0.0024880300000000, 0.0000000000000000, 0.0002282200000000 ] - [ 0.0011782800000000, 0.0000000000000000, 0.0016047500000000 ] - [ 0.0011591800000000, 0.0000000000000000, -0.0003112100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006104700000000, -0.0402823700000000, 0.0002777000000000 ] - [ 0.0006879300000000, -0.0005733300000000, 0.0002287900000000 ] - [ 0.0006896900000000, -0.0006078200000000, -0.0002326700000000 ] - [ 0.0006898300000000, -0.0006077100000000, -0.0002295500000000 ] - [ -0.0006855500000000, 0.0140277200000000, -0.0002262900000000 ] - [ -0.0006876100000000, 0.0005368000000000, -0.0002298500000000 ] - [ -0.0006902700000000, 0.0005566500000000, 0.0002289300000000 ] - [ -0.0006875800000000, 0.0006324100000000, 0.0002286400000000 ] - [ 0.0005646000000000, -0.0000792900000000, 0.0006648200000000 ] - [ 0.0005629300000000, -0.0000281600000000, 0.0006687900000000 ] - [ 0.0005624100000000, -0.0015039400000000, -0.0006713700000000 ] - [ 0.0005644200000000, -0.0000455000000000, -0.0006713100000000 ] - [ -0.0005619700000000, 0.0002066300000000, -0.0006727400000000 ] - [ -0.0005619200000000, 0.0000244900000000, -0.0006707300000000 ] - [ -0.0005624100000000, 0.0019562900000000, 0.0006717700000000 ] - [ -0.0005625400000000, 0.0000564400000000, 0.0006700000000000 ] - [ -0.0048139800000000, -0.0005633400000000, 0.0031579700000000 ] - [ 0.0003960100000000, -0.0011166300000000, -0.0007151300000000 ] - [ -0.0008152000000000, 0.0000103600000000, 0.0002747200000000 ] - [ -0.0009415400000000, 0.0000491700000000, 0.0007767900000000 ] - [ 0.0000302600000000, 0.0003431800000000, 0.0017668100000000 ] - [ 0.0025056700000000, 0.0008872400000000, 0.0006321300000000 ] - [ 0.0010400800000000, 0.0002248300000000, -0.0012618600000000 ] - [ 0.0008826700000000, 0.0001986500000000, -0.0006842800000000 ] - [ 0.0018003200000000, 0.0005946700000000, -0.0003136100000000 ] - [ -0.0006805400000000, 0.0011426200000000, 0.0008208800000000 ] - [ 0.0007858000000000, -0.0000269000000000, -0.0001973100000000 ] - [ 0.0009430500000000, -0.0000509700000000, -0.0007740400000000 ] - [ 0.0029806800000000, -0.0002989900000000, -0.0046179100000000 ] - [ -0.0022157100000000, -0.0008620800000000, -0.0007445200000000 ] - [ -0.0010090500000000, -0.0002407200000000, 0.0011794900000000 ] - [ -0.0008815700000000, -0.0002026600000000, 0.0006775800000000 ] - [ -0.0002054000000000, -0.0000817200000000, -0.0000769300000000 ] - [ -0.0002013300000000, -0.0014732600000000, -0.0000764100000000 ] - [ -0.0002018600000000, -0.0000045500000000, 0.0000772100000000 ] - [ -0.0001997100000000, -0.0001103700000000, 0.0000754100000000 ] - [ 0.0001996300000000, 0.0002010600000000, 0.0000756400000000 ] - [ 0.0002005000000000, 0.0018541600000000, 0.0000778200000000 ] - [ 0.0002013400000000, -0.0000542300000000, -0.0000773000000000 ] - [ 0.0002000200000000, 0.0001016100000000, -0.0000775200000000 ] - [ 0.0041646000000000, -0.0000603000000000, -0.0035249300000000 ] - [ -0.0002141600000000, 0.0002446900000000, 0.0001594100000000 ] - [ 0.0002145200000000, -0.0013371500000000, 0.0009491900000000 ] - [ 0.0002002700000000, -0.0004405000000000, -0.0002506600000000 ] - [ 0.0008517700000000, 0.0008285600000000, -0.0011083900000000 ] - [ -0.0007425800000000, 0.0004874100000000, -0.0003887800000000 ] - [ -0.0002281300000000, 0.0006989400000000, 0.0018931100000000 ] - [ -0.0001993600000000, -0.0003223700000000, 0.0002697000000000 ] - [ -0.0012417200000000, 0.0000724200000000, 0.0005875900000000 ] - [ 0.0003527500000000, -0.0002640100000000, -0.0001398000000000 ] - [ -0.0001603900000000, 0.0014511700000000, -0.0013727600000000 ] - [ -0.0001895800000000, 0.0004348700000000, 0.0002522500000000 ] - [ -0.0037748600000000, -0.0008019300000000, 0.0040370700000000 ] - [ 0.0006042900000000, -0.0005070800000000, 0.0003647300000000 ] - [ 0.0001779700000000, -0.0005878700000000, -0.0014823800000000 ] - [ 0.0001894000000000, 0.0003151900000000, -0.0002753400000000 ] - [ 0.0006564600000000, -0.0003379600000000, -0.0007630600000000 ] - [ 0.0003042200000000, -0.0003420100000000, -0.0008233200000000 ] - [ -0.0020021700000000, 0.0051922700000000, -0.0020407000000000 ] - [ 0.0002932300000000, 0.0004152700000000, 0.0007768700000000 ] - [ -0.0003514500000000, -0.0003169200000000, 0.0004631200000000 ] - [ -0.0006929000000000, -0.0003449200000000, 0.0003540600000000 ] - [ -0.0022421200000000, 0.0042232700000000, -0.0025963400000000 ] - [ -0.0007799900000000, 0.0003262900000000, -0.0004045700000000 ] - [ -0.0006421000000000, 0.0003875700000000, 0.0006987200000000 ] - [ -0.0002989200000000, 0.0003572300000000, 0.0008110100000000 ] - [ 0.0010622000000000, 0.0032419600000000, 0.0012411900000000 ] - [ -0.0002123900000000, -0.0003783900000000, -0.0007605600000000 ] - [ 0.0003384900000000, 0.0003625100000000, -0.0004037000000000 ] - [ 0.0006904800000000, 0.0003609300000000, -0.0003455000000000 ] - [ 0.0032112500000000, 0.0047892000000000, 0.0034238300000000 ] - [ 0.0006992200000000, -0.0002852700000000, 0.0003838400000000 ] - [ 0.0004964500000000, 0.0068128700000000, -0.0004966300000000 ] - [ 0.0003999700000000, 0.0011891400000000, -0.0004239300000000 ] - [ 0.0004057900000000, 0.0010100800000000, 0.0004243500000000 ] - [ 0.0004062000000000, 0.0002233600000000, 0.0004263900000000 ] - [ -0.0004065000000000, -0.0026002300000000, 0.0004243900000000 ] - [ -0.0004057400000000, -0.0014696500000000, 0.0004247600000000 ] - [ -0.0004037400000000, -0.0013080000000000, -0.0004272500000000 ] - [ -0.0004073300000000, -0.0002265800000000, -0.0004296800000000 ] - [ -0.0010038900000000, 0.0068817700000000, -0.0001582400000000 ] - [ -0.0009308900000000, 0.0009762700000000, -0.0002496800000000 ] - [ -0.0009334100000000, 0.0011013600000000, 0.0002495700000000 ] - [ -0.0009363000000000, 0.0002419300000000, 0.0002423400000000 ] - [ 0.0009376000000000, -0.0025642000000000, 0.0002393900000000 ] - [ 0.0009359600000000, -0.0012808600000000, 0.0002464100000000 ] - [ 0.0009358800000000, -0.0014010100000000, -0.0002437800000000 ] - [ 0.0009390500000000, -0.0002397400000000, -0.0002438200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0399173500000000, 0.0000000000000000, -0.0793124000000000 ] - [ 0.0008902200000000, 0.0000000000000000, -0.0016488000000000 ] - [ 0.0005454500000000, 0.0000000000000000, 0.0018397600000000 ] - [ 0.0003886400000000, 0.0000000000000000, 0.0018411700000000 ] - [ -0.0077863900000000, 0.0000000000000000, -0.0092014200000000 ] - [ 0.0000346800000000, 0.0000000000000000, -0.0027668300000000 ] - [ -0.0012955500000000, 0.0000000000000000, 0.0021284600000000 ] - [ -0.0011597600000000, 0.0000000000000000, 0.0020010500000000 ] - [ -0.0047160400000000, 0.0000000000000000, 0.0059584300000000 ] - [ 0.0006083900000000, 0.0000000000000000, 0.0009111400000000 ] - [ 0.0012289400000000, 0.0000000000000000, 0.0002169900000000 ] - [ 0.0000949100000000, 0.0000000000000000, -0.0005879100000000 ] - [ -0.0014500500000000, 0.0000000000000000, -0.0000610100000000 ] - [ -0.0005577900000000, 0.0000000000000000, -0.0003355300000000 ] - [ -0.0005419500000000, 0.0000000000000000, 0.0015819900000000 ] - [ -0.0006894900000000, 0.0000000000000000, 0.0005957400000000 ] - [ -0.0019335500000000, 0.0012925800000000, -0.0015383000000000 ] - [ 0.0000944500000000, -0.0005187400000000, -0.0010315000000000 ] - [ -0.0009222800000000, -0.0001143800000000, 0.0013486900000000 ] - [ -0.0007961200000000, 0.0000703700000000, 0.0008305200000000 ] - [ 0.0008766500000000, 0.0001272100000000, -0.0001670000000000 ] - [ 0.0023821600000000, 0.0000048900000000, 0.0004952600000000 ] - [ 0.0009250300000000, 0.0001807500000000, -0.0003384800000000 ] - [ 0.0010394600000000, 0.0001443200000000, -0.0005936500000000 ] - [ 0.0008766500000000, -0.0001272100000000, -0.0001670000000000 ] - [ 0.0023821600000000, -0.0000048900000000, 0.0004952600000000 ] - [ 0.0009250300000000, -0.0001807500000000, -0.0003384800000000 ] - [ 0.0010394600000000, -0.0001443200000000, -0.0005936500000000 ] - [ -0.0019335500000000, -0.0012925800000000, -0.0015383000000000 ] - [ 0.0000944500000000, 0.0005187400000000, -0.0010315000000000 ] - [ -0.0009222800000000, 0.0001143800000000, 0.0013486900000000 ] - [ -0.0007961200000000, -0.0000703700000000, 0.0008305200000000 ] - [ 0.0000071100000000, 0.0000000000000000, -0.0024392300000000 ] - [ 0.0007175300000000, 0.0000000000000000, -0.0006827900000000 ] - [ -0.0002496500000000, 0.0000000000000000, 0.0007617000000000 ] - [ -0.0000874300000000, 0.0000000000000000, 0.0002384000000000 ] - [ 0.0007210800000000, 0.0000000000000000, -0.0010763000000000 ] - [ 0.0014816300000000, 0.0000000000000000, -0.0003708100000000 ] - [ 0.0002118100000000, 0.0000000000000000, 0.0002854500000000 ] - [ 0.0003276700000000, 0.0000000000000000, 0.0001239500000000 ] - [ -0.0030101700000000, -0.0005075000000000, 0.0046931400000000 ] - [ 0.0004211400000000, 0.0003798200000000, 0.0005223900000000 ] - [ 0.0006256700000000, -0.0002318800000000, 0.0006611100000000 ] - [ -0.0000706700000000, -0.0002625500000000, -0.0002597200000000 ] - [ -0.0007660700000000, -0.0002235800000000, 0.0004848500000000 ] - [ 0.0000194800000000, 0.0004953200000000, 0.0001110900000000 ] - [ -0.0001559800000000, -0.0002535200000000, 0.0011696000000000 ] - [ -0.0002621300000000, -0.0003708900000000, 0.0002482300000000 ] - [ -0.0007660700000000, 0.0002235800000000, 0.0004848500000000 ] - [ 0.0000194800000000, -0.0004953200000000, 0.0001110900000000 ] - [ -0.0001559800000000, 0.0002535200000000, 0.0011696000000000 ] - [ -0.0002621300000000, 0.0003708900000000, 0.0002482300000000 ] - [ -0.0030101700000000, 0.0005075000000000, 0.0046931400000000 ] - [ 0.0004211400000000, -0.0003798200000000, 0.0005223900000000 ] - [ 0.0006256700000000, 0.0002318800000000, 0.0006611100000000 ] - [ -0.0000706700000000, 0.0002625500000000, -0.0002597200000000 ] - [ 0.0010326600000000, -0.0006599400000000, -0.0018423300000000 ] - [ 0.0004863100000000, -0.0003411000000000, -0.0013559600000000 ] - [ 0.0031783700000000, -0.0023534600000000, 0.0068035600000000 ] - [ 0.0010525300000000, 0.0008659000000000, 0.0014460300000000 ] - [ 0.0001087500000000, -0.0008096000000000, -0.0009615900000000 ] - [ -0.0005632100000000, -0.0003663800000000, -0.0001270700000000 ] - [ 0.0014690600000000, -0.0012923400000000, 0.0049203300000000 ] - [ -0.0002401600000000, 0.0007285600000000, 0.0002951000000000 ] - [ 0.0001087500000000, 0.0008096000000000, -0.0009615900000000 ] - [ -0.0005632100000000, 0.0003663800000000, -0.0001270700000000 ] - [ 0.0014690600000000, 0.0012923400000000, 0.0049203300000000 ] - [ -0.0002401600000000, -0.0007285600000000, 0.0002951000000000 ] - [ 0.0010326600000000, 0.0006599400000000, -0.0018423300000000 ] - [ 0.0004863100000000, 0.0003411000000000, -0.0013559600000000 ] - [ 0.0031783700000000, 0.0023534600000000, 0.0068035600000000 ] - [ 0.0010525300000000, -0.0008659000000000, 0.0014460300000000 ] - [ -0.0175591200000000, 0.0000000000000000, 0.0244659200000000 ] - [ -0.0007614700000000, 0.0000000000000000, 0.0001907600000000 ] - [ -0.0001492600000000, 0.0000000000000000, -0.0011957100000000 ] - [ 0.0005466300000000, 0.0000000000000000, 0.0000474800000000 ] - [ 0.0012544100000000, 0.0000000000000000, 0.0028352900000000 ] - [ -0.0024416300000000, 0.0000000000000000, 0.0010685600000000 ] - [ -0.0005524100000000, 0.0000000000000000, -0.0018461400000000 ] - [ -0.0003097100000000, 0.0000000000000000, -0.0007963900000000 ] - [ -0.0185529700000000, 0.0000000000000000, 0.0256490300000000 ] - [ -0.0017387200000000, 0.0000000000000000, 0.0000887300000000 ] - [ -0.0016513000000000, 0.0000000000000000, -0.0015997700000000 ] - [ -0.0006125900000000, 0.0000000000000000, -0.0000967700000000 ] - [ 0.0023097300000000, 0.0000000000000000, 0.0015218800000000 ] - [ -0.0002461800000000, 0.0000000000000000, 0.0005329700000000 ] - [ 0.0007567500000000, 0.0000000000000000, -0.0019408300000000 ] - [ 0.0010837600000000, 0.0000000000000000, -0.0005548300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0386822400000000, 0.0000000000000000, 0.0800938500000000 ] - [ 0.0004873200000000, 0.0000000000000000, 0.0021050600000000 ] - [ 0.0008302800000000, 0.0000000000000000, -0.0023014200000000 ] - [ 0.0009981300000000, 0.0000000000000000, -0.0022987200000000 ] - [ 0.0064101500000000, 0.0000000000000000, 0.0087421700000000 ] - [ -0.0014103600000000, 0.0000000000000000, 0.0023070000000000 ] - [ -0.0000840800000000, 0.0000000000000000, -0.0016757100000000 ] - [ -0.0002207000000000, 0.0000000000000000, -0.0015402100000000 ] - [ 0.0057552200000000, 0.0000000000000000, -0.0045265400000000 ] - [ 0.0005178300000000, 0.0000000000000000, 0.0004271000000000 ] - [ -0.0000931200000000, 0.0000000000000000, -0.0015576900000000 ] - [ 0.0010343000000000, 0.0000000000000000, -0.0007558700000000 ] - [ 0.0003221500000000, 0.0000000000000000, -0.0012813800000000 ] - [ -0.0005673700000000, 0.0000000000000000, -0.0010061000000000 ] - [ -0.0005848200000000, 0.0000000000000000, -0.0002367700000000 ] - [ -0.0004373300000000, 0.0000000000000000, 0.0007463700000000 ] - [ 0.0001074700000000, -0.0015433300000000, 0.0000849300000000 ] - [ -0.0019177500000000, 0.0002663200000000, -0.0004269900000000 ] - [ -0.0009017400000000, 0.0003620400000000, 0.0001087100000000 ] - [ -0.0010280600000000, 0.0001803300000000, 0.0006253100000000 ] - [ 0.0009480900000000, -0.0003771100000000, 0.0016229900000000 ] - [ -0.0005587600000000, -0.0002561400000000, 0.0009584000000000 ] - [ 0.0008986800000000, 0.0000705800000000, -0.0011199800000000 ] - [ 0.0007852100000000, 0.0001046400000000, -0.0008652900000000 ] - [ 0.0009480900000000, 0.0003771100000000, 0.0016229900000000 ] - [ -0.0005587600000000, 0.0002561400000000, 0.0009584000000000 ] - [ 0.0008986800000000, -0.0000705800000000, -0.0011199800000000 ] - [ 0.0007852100000000, -0.0001046400000000, -0.0008652900000000 ] - [ 0.0001074700000000, 0.0015433300000000, 0.0000849300000000 ] - [ -0.0019177500000000, -0.0002663200000000, -0.0004269900000000 ] - [ -0.0009017400000000, -0.0003620400000000, 0.0001087100000000 ] - [ -0.0010280600000000, -0.0001803300000000, 0.0006253100000000 ] - [ -0.0004251100000000, 0.0000000000000000, 0.0022895300000000 ] - [ -0.0011216200000000, 0.0000000000000000, 0.0005324200000000 ] - [ -0.0001544600000000, 0.0000000000000000, -0.0006137200000000 ] - [ -0.0003143900000000, 0.0000000000000000, -0.0000889300000000 ] - [ -0.0003200900000000, 0.0000000000000000, 0.0012281600000000 ] - [ -0.0010778500000000, 0.0000000000000000, 0.0005251900000000 ] - [ 0.0001916700000000, 0.0000000000000000, -0.0004391500000000 ] - [ 0.0000736300000000, 0.0000000000000000, -0.0002772500000000 ] - [ 0.0034626700000000, 0.0012780900000000, -0.0042291300000000 ] - [ -0.0000318200000000, 0.0003727800000000, 0.0000048300000000 ] - [ -0.0002409400000000, -0.0005272000000000, -0.0011936700000000 ] - [ 0.0004594800000000, -0.0004930700000000, -0.0002669100000000 ] - [ 0.0003772100000000, 0.0009784000000000, -0.0010127800000000 ] - [ -0.0004100800000000, 0.0002578900000000, -0.0006402200000000 ] - [ -0.0002321400000000, -0.0005017400000000, -0.0006507600000000 ] - [ -0.0001272000000000, -0.0003851200000000, 0.0002759900000000 ] - [ 0.0003772100000000, -0.0009784000000000, -0.0010127800000000 ] - [ -0.0004100800000000, -0.0002578900000000, -0.0006402200000000 ] - [ -0.0002321400000000, 0.0005017400000000, -0.0006507600000000 ] - [ -0.0001272000000000, 0.0003851200000000, 0.0002759900000000 ] - [ 0.0034626700000000, -0.0012780900000000, -0.0042291300000000 ] - [ -0.0000318200000000, -0.0003727800000000, 0.0000048300000000 ] - [ -0.0002409400000000, 0.0005272000000000, -0.0011936700000000 ] - [ 0.0004594800000000, 0.0004930700000000, -0.0002669100000000 ] - [ -0.0000338000000000, -0.0000447500000000, 0.0006721900000000 ] - [ 0.0005098500000000, -0.0003623200000000, 0.0001884300000000 ] - [ -0.0020977200000000, 0.0029309900000000, -0.0055729000000000 ] - [ -0.0000548700000000, -0.0001634400000000, -0.0002819200000000 ] - [ -0.0011079500000000, 0.0001092900000000, 0.0021302600000000 ] - [ -0.0004323100000000, -0.0003357200000000, 0.0012922300000000 ] - [ -0.0025352000000000, 0.0020980600000000, -0.0061450500000000 ] - [ -0.0007572900000000, -0.0000255300000000, -0.0014624400000000 ] - [ -0.0011079500000000, -0.0001092900000000, 0.0021302600000000 ] - [ -0.0004323100000000, 0.0003357200000000, 0.0012922300000000 ] - [ -0.0025352000000000, -0.0020980600000000, -0.0061450500000000 ] - [ -0.0007572900000000, 0.0000255300000000, -0.0014624400000000 ] - [ -0.0000338000000000, 0.0000447500000000, 0.0006721900000000 ] - [ 0.0005098500000000, 0.0003623200000000, 0.0001884300000000 ] - [ -0.0020977200000000, -0.0029309900000000, -0.0055729000000000 ] - [ -0.0000548700000000, 0.0001634400000000, -0.0002819200000000 ] - [ 0.0174895500000000, 0.0000000000000000, -0.0247523100000000 ] - [ 0.0015852200000000, 0.0000000000000000, -0.0010564900000000 ] - [ 0.0009692800000000, 0.0000000000000000, 0.0020584200000000 ] - [ 0.0002852300000000, 0.0000000000000000, 0.0008222600000000 ] - [ -0.0020749200000000, 0.0000000000000000, -0.0019673900000000 ] - [ 0.0016152800000000, 0.0000000000000000, -0.0002016800000000 ] - [ -0.0002735300000000, 0.0000000000000000, 0.0009721700000000 ] - [ -0.0005223000000000, 0.0000000000000000, -0.0000753900000000 ] - [ 0.0176420700000000, 0.0000000000000000, -0.0269120100000000 ] - [ -0.0001450200000000, 0.0000000000000000, -0.0005677000000000 ] - [ -0.0002266100000000, 0.0000000000000000, 0.0020802600000000 ] - [ -0.0012761800000000, 0.0000000000000000, 0.0005665200000000 ] - [ -0.0004246500000000, 0.0000000000000000, -0.0010517500000000 ] - [ 0.0021329000000000, 0.0000000000000000, -0.0000591700000000 ] - [ 0.0011282100000000, 0.0000000000000000, 0.0014740900000000 ] - [ 0.0008062800000000, 0.0000000000000000, 0.0000803200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015399000000000, 0.0000000000000000, -0.0050099100000000 ] - [ 0.0009930300000000, 0.0000000000000000, 0.0002723600000000 ] - [ 0.0008088400000000, 0.0000000000000000, -0.0008911100000000 ] - [ 0.0010984400000000, 0.0000000000000000, 0.0002434100000000 ] - [ -0.0019001000000000, 0.0000000000000000, -0.0011154400000000 ] - [ -0.0002700800000000, 0.0000000000000000, -0.0002252900000000 ] - [ -0.0006573200000000, 0.0000000000000000, 0.0003545500000000 ] - [ -0.0002670600000000, 0.0000000000000000, 0.0002023800000000 ] - [ -0.0711068800000000, 0.0000000000000000, -0.1136143700000000 ] - [ 0.0006531600000000, 0.0000000000000000, 0.0006881800000000 ] - [ 0.0013970000000000, 0.0000000000000000, -0.0005846300000000 ] - [ 0.0013882500000000, 0.0000000000000000, -0.0006854800000000 ] - [ -0.0007187500000000, 0.0000000000000000, -0.0006021700000000 ] - [ -0.0005049600000000, 0.0000000000000000, -0.0006867800000000 ] - [ -0.0004952400000000, 0.0000000000000000, 0.0007839100000000 ] - [ -0.0005556600000000, 0.0000000000000000, 0.0006497300000000 ] - [ 0.0072747200000000, 0.0009531900000000, 0.0194755100000000 ] - [ -0.0007336100000000, -0.0001949500000000, -0.0007388000000000 ] - [ -0.0009844700000000, -0.0003465700000000, 0.0013022600000000 ] - [ -0.0008320600000000, 0.0002620700000000, 0.0007719800000000 ] - [ 0.0010135000000000, -0.0001390400000000, 0.0005970400000000 ] - [ 0.0009575500000000, -0.0001328700000000, 0.0007204800000000 ] - [ 0.0007728200000000, 0.0001438300000000, -0.0007767400000000 ] - [ 0.0009683400000000, 0.0001168000000000, -0.0007177500000000 ] - [ 0.0010135000000000, 0.0001390400000000, 0.0005970400000000 ] - [ 0.0009575500000000, 0.0001328700000000, 0.0007204800000000 ] - [ 0.0007728200000000, -0.0001438300000000, -0.0007767400000000 ] - [ 0.0009683400000000, -0.0001168000000000, -0.0007177500000000 ] - [ 0.0072747200000000, -0.0009531900000000, 0.0194755100000000 ] - [ -0.0007336100000000, 0.0001949500000000, -0.0007388000000000 ] - [ -0.0009844700000000, 0.0003465700000000, 0.0013022600000000 ] - [ -0.0008320600000000, -0.0002620700000000, 0.0007719800000000 ] - [ -0.0001165800000000, 0.0000000000000000, -0.0002212000000000 ] - [ -0.0001084000000000, 0.0000000000000000, -0.0001160800000000 ] - [ -0.0002928500000000, 0.0000000000000000, 0.0000870300000000 ] - [ -0.0001508000000000, 0.0000000000000000, 0.0000721400000000 ] - [ 0.0002601600000000, 0.0000000000000000, 0.0000197100000000 ] - [ 0.0004001200000000, 0.0000000000000000, 0.0000806200000000 ] - [ 0.0000116500000000, 0.0000000000000000, -0.0000142800000000 ] - [ 0.0002677000000000, 0.0000000000000000, -0.0000623000000000 ] - [ 0.0001346300000000, 0.0003763900000000, 0.0002815000000000 ] - [ 0.0002341400000000, 0.0003821400000000, 0.0002507400000000 ] - [ 0.0002056000000000, -0.0004100200000000, -0.0002375300000000 ] - [ 0.0001962400000000, -0.0003729300000000, -0.0002822700000000 ] - [ -0.0004404800000000, 0.0004323000000000, -0.0001457500000000 ] - [ -0.0001304900000000, 0.0003961900000000, -0.0002336000000000 ] - [ -0.0001643700000000, -0.0002802100000000, 0.0004149400000000 ] - [ -0.0001345900000000, -0.0004257800000000, 0.0002722100000000 ] - [ -0.0004404800000000, -0.0004323000000000, -0.0001457500000000 ] - [ -0.0001304900000000, -0.0003961900000000, -0.0002336000000000 ] - [ -0.0001643700000000, 0.0002802100000000, 0.0004149400000000 ] - [ -0.0001345900000000, 0.0004257800000000, 0.0002722100000000 ] - [ 0.0001346300000000, -0.0003763900000000, 0.0002815000000000 ] - [ 0.0002341400000000, -0.0003821400000000, 0.0002507400000000 ] - [ 0.0002056000000000, 0.0004100200000000, -0.0002375300000000 ] - [ 0.0001962400000000, 0.0003729300000000, -0.0002822700000000 ] - [ 0.0009427500000000, -0.0000159900000000, -0.0002492800000000 ] - [ 0.0003136100000000, -0.0003902500000000, -0.0006377400000000 ] - [ 0.0001882700000000, 0.0010045600000000, 0.0011438800000000 ] - [ 0.0004414100000000, 0.0004193500000000, 0.0003244500000000 ] - [ -0.0003976100000000, -0.0002716100000000, 0.0004835300000000 ] - [ -0.0005828100000000, -0.0003693300000000, 0.0006151900000000 ] - [ -0.0004018300000000, 0.0011600700000000, -0.0010590600000000 ] - [ -0.0006693800000000, 0.0003556400000000, -0.0005630800000000 ] - [ -0.0003976100000000, 0.0002716100000000, 0.0004835300000000 ] - [ -0.0005828100000000, 0.0003693300000000, 0.0006151900000000 ] - [ -0.0004018300000000, -0.0011600700000000, -0.0010590600000000 ] - [ -0.0006693800000000, -0.0003556400000000, -0.0005630800000000 ] - [ 0.0009427500000000, 0.0000159900000000, -0.0002492800000000 ] - [ 0.0003136100000000, 0.0003902500000000, -0.0006377400000000 ] - [ 0.0001882700000000, -0.0010045600000000, 0.0011438800000000 ] - [ 0.0004414100000000, -0.0004193500000000, 0.0003244500000000 ] - [ 0.0568369800000000, 0.0000000000000000, 0.0784971600000000 ] - [ 0.0001014200000000, 0.0000000000000000, -0.0003906300000000 ] - [ -0.0003937600000000, 0.0000000000000000, -0.0006274700000000 ] - [ 0.0000821600000000, 0.0000000000000000, 0.0004219300000000 ] - [ -0.0002729500000000, 0.0000000000000000, 0.0008111100000000 ] - [ -0.0005656000000000, 0.0000000000000000, 0.0004269600000000 ] - [ -0.0003803800000000, 0.0000000000000000, -0.0003081200000000 ] - [ -0.0004862900000000, 0.0000000000000000, -0.0004734100000000 ] - [ -0.0007403200000000, 0.0000000000000000, -0.0000588000000000 ] - [ -0.0010570700000000, 0.0000000000000000, -0.0002228600000000 ] - [ -0.0009399300000000, 0.0000000000000000, 0.0002689700000000 ] - [ -0.0009846300000000, 0.0000000000000000, 0.0002082900000000 ] - [ 0.0013462900000000, 0.0000000000000000, 0.0002501600000000 ] - [ 0.0006645200000000, 0.0000000000000000, 0.0002379200000000 ] - [ 0.0009889900000000, 0.0000000000000000, -0.0004213600000000 ] - [ 0.0008630100000000, 0.0000000000000000, -0.0002690100000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029157300000000, 0.0000000000000000, 0.0054618800000000 ] - [ 0.0003862300000000, 0.0000000000000000, 0.0001822300000000 ] - [ 0.0005829400000000, 0.0000000000000000, 0.0004294600000000 ] - [ 0.0002844700000000, 0.0000000000000000, -0.0006977800000000 ] - [ 0.0005135300000000, 0.0000000000000000, 0.0006552800000000 ] - [ -0.0011074900000000, 0.0000000000000000, -0.0002361100000000 ] - [ -0.0007241700000000, 0.0000000000000000, 0.0001042300000000 ] - [ -0.0011002300000000, 0.0000000000000000, 0.0002475500000000 ] - [ 0.0703500600000000, 0.0000000000000000, 0.1151216700000000 ] - [ 0.0004727900000000, 0.0000000000000000, 0.0006517400000000 ] - [ -0.0002619600000000, 0.0000000000000000, -0.0007545600000000 ] - [ -0.0002702400000000, 0.0000000000000000, -0.0006516900000000 ] - [ -0.0004081000000000, 0.0000000000000000, -0.0007377600000000 ] - [ -0.0006209000000000, 0.0000000000000000, -0.0006534500000000 ] - [ -0.0006297200000000, 0.0000000000000000, 0.0005558700000000 ] - [ -0.0005713100000000, 0.0000000000000000, 0.0006908800000000 ] - [ -0.0090801700000000, -0.0010331000000000, -0.0212074300000000 ] - [ -0.0010878300000000, -0.0000578100000000, -0.0007179800000000 ] - [ -0.0008443500000000, 0.0005946500000000, 0.0001574300000000 ] - [ -0.0009904200000000, -0.0000119600000000, 0.0006844800000000 ] - [ 0.0008103000000000, -0.0001133200000000, 0.0008586300000000 ] - [ 0.0008649600000000, -0.0001194200000000, 0.0007359500000000 ] - [ 0.0010484500000000, 0.0001077400000000, -0.0006815700000000 ] - [ 0.0008568100000000, 0.0001333200000000, -0.0007393600000000 ] - [ 0.0008103000000000, 0.0001133200000000, 0.0008586300000000 ] - [ 0.0008649600000000, 0.0001194200000000, 0.0007359500000000 ] - [ 0.0010484500000000, -0.0001077400000000, -0.0006815700000000 ] - [ 0.0008568100000000, -0.0001333200000000, -0.0007393600000000 ] - [ -0.0090801700000000, 0.0010331000000000, -0.0212074300000000 ] - [ -0.0010878300000000, 0.0000578100000000, -0.0007179800000000 ] - [ -0.0008443500000000, -0.0005946500000000, 0.0001574300000000 ] - [ -0.0009904200000000, 0.0000119600000000, 0.0006844800000000 ] - [ -0.0002869800000000, 0.0000000000000000, 0.0000680800000000 ] - [ -0.0002966500000000, 0.0000000000000000, -0.0000316100000000 ] - [ -0.0001157200000000, 0.0000000000000000, 0.0000653300000000 ] - [ -0.0002513900000000, 0.0000000000000000, 0.0000804900000000 ] - [ 0.0001462400000000, 0.0000000000000000, 0.0001329900000000 ] - [ 0.0000076000000000, 0.0000000000000000, 0.0000722900000000 ] - [ 0.0003897300000000, 0.0000000000000000, -0.0001382900000000 ] - [ 0.0001362300000000, 0.0000000000000000, -0.0000907600000000 ] - [ 0.0002543300000000, 0.0003778400000000, 0.0002449700000000 ] - [ 0.0001554800000000, 0.0003688600000000, 0.0002770300000000 ] - [ 0.0001841500000000, -0.0003408800000000, -0.0002931800000000 ] - [ 0.0001933000000000, -0.0003816500000000, -0.0002454800000000 ] - [ 0.0000507600000000, 0.0003262500000000, -0.0003793000000000 ] - [ -0.0002588500000000, 0.0003561200000000, -0.0002938000000000 ] - [ -0.0002255700000000, -0.0004726800000000, 0.0001146700000000 ] - [ -0.0002531700000000, -0.0003279200000000, 0.0002567500000000 ] - [ 0.0000507600000000, -0.0003262500000000, -0.0003793000000000 ] - [ -0.0002588500000000, -0.0003561200000000, -0.0002938000000000 ] - [ -0.0002255700000000, 0.0004726800000000, 0.0001146700000000 ] - [ -0.0002531700000000, 0.0003279200000000, 0.0002567500000000 ] - [ 0.0002543300000000, -0.0003778400000000, 0.0002449700000000 ] - [ 0.0001554800000000, -0.0003688600000000, 0.0002770300000000 ] - [ 0.0001841500000000, 0.0003408800000000, -0.0002931800000000 ] - [ 0.0001933000000000, 0.0003816500000000, -0.0002454800000000 ] - [ 0.0000461900000000, -0.0006813800000000, -0.0009127800000000 ] - [ 0.0006827500000000, -0.0003130100000000, -0.0005310700000000 ] - [ 0.0008103400000000, -0.0002955100000000, 0.0000229800000000 ] - [ 0.0005597200000000, 0.0002887600000000, 0.0008449600000000 ] - [ -0.0005974300000000, -0.0004301900000000, 0.0006840400000000 ] - [ -0.0004165900000000, -0.0003328300000000, 0.0005546000000000 ] - [ -0.0005884400000000, -0.0004591100000000, -0.0001033800000000 ] - [ -0.0003269900000000, 0.0003471500000000, -0.0006013900000000 ] - [ -0.0005974300000000, 0.0004301900000000, 0.0006840400000000 ] - [ -0.0004165900000000, 0.0003328300000000, 0.0005546000000000 ] - [ -0.0005884400000000, 0.0004591100000000, -0.0001033800000000 ] - [ -0.0003269900000000, -0.0003471500000000, -0.0006013900000000 ] - [ 0.0000461900000000, 0.0006813800000000, -0.0009127800000000 ] - [ 0.0006827500000000, 0.0003130100000000, -0.0005310700000000 ] - [ 0.0008103400000000, 0.0002955100000000, 0.0000229800000000 ] - [ 0.0005597200000000, -0.0002887600000000, 0.0008449600000000 ] - [ -0.0541798500000000, 0.0000000000000000, -0.0790053200000000 ] - [ 0.0007211600000000, 0.0000000000000000, -0.0004741100000000 ] - [ 0.0012123500000000, 0.0000000000000000, 0.0014833400000000 ] - [ 0.0007459900000000, 0.0000000000000000, 0.0004473700000000 ] - [ -0.0005487600000000, 0.0000000000000000, 0.0000560300000000 ] - [ -0.0002601200000000, 0.0000000000000000, 0.0004414300000000 ] - [ -0.0004435900000000, 0.0000000000000000, -0.0005501900000000 ] - [ -0.0003445200000000, 0.0000000000000000, -0.0003959500000000 ] - [ -0.0011447400000000, 0.0000000000000000, -0.0004136600000000 ] - [ -0.0008255400000000, 0.0000000000000000, -0.0002549900000000 ] - [ -0.0009425000000000, 0.0000000000000000, 0.0002138900000000 ] - [ -0.0009017200000000, 0.0000000000000000, 0.0002665000000000 ] - [ 0.0005412300000000, 0.0000000000000000, 0.0002238800000000 ] - [ 0.0012185500000000, 0.0000000000000000, 0.0002393600000000 ] - [ 0.0008975800000000, 0.0000000000000000, -0.0000569000000000 ] - [ 0.0010183300000000, 0.0000000000000000, -0.0002081500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006693800000000, -0.0000768200000000, 0.0002452300000000 ] - [ 0.0006884800000000, -0.0000254100000000, 0.0002287400000000 ] - [ 0.0006869800000000, -0.0015039500000000, -0.0002308500000000 ] - [ 0.0006874800000000, -0.0000451300000000, -0.0002317700000000 ] - [ -0.0006854400000000, 0.0002072200000000, -0.0002337500000000 ] - [ -0.0006877500000000, 0.0000249300000000, -0.0002301300000000 ] - [ -0.0006890900000000, 0.0000592800000000, 0.0002299400000000 ] - [ -0.0006925400000000, 0.0019594300000000, 0.0002320700000000 ] - [ 0.0001682400000000, -0.0462680300000000, -0.0005718300000000 ] - [ 0.0005619000000000, 0.0000156300000000, 0.0006703300000000 ] - [ 0.0005585500000000, -0.0001713700000000, -0.0006702600000000 ] - [ 0.0005654200000000, -0.0001713900000000, -0.0006705000000000 ] - [ -0.0005624600000000, -0.0000484600000000, -0.0006702500000000 ] - [ -0.0005623500000000, 0.0000510100000000, -0.0006698300000000 ] - [ -0.0005626200000000, -0.0002227700000000, 0.0006710600000000 ] - [ -0.0005629600000000, 0.0000132900000000, 0.0006709900000000 ] - [ -0.0097176100000000, -0.0007181500000000, -0.0294339300000000 ] - [ -0.0008056900000000, -0.0002085600000000, -0.0007059100000000 ] - [ -0.0012574800000000, -0.0000327600000000, 0.0005281400000000 ] - [ -0.0008196800000000, 0.0000960900000000, 0.0007726200000000 ] - [ 0.0009041900000000, -0.0001073200000000, 0.0007962600000000 ] - [ 0.0008571000000000, -0.0001616600000000, 0.0007033200000000 ] - [ 0.0010566100000000, 0.0001760200000000, -0.0004214100000000 ] - [ 0.0008822500000000, 0.0001524800000000, -0.0007333200000000 ] - [ 0.0009196400000000, 0.0001447200000000, 0.0006590900000000 ] - [ 0.0009674400000000, 0.0000901700000000, 0.0007519600000000 ] - [ 0.0007695300000000, -0.0000755700000000, -0.0010330700000000 ] - [ 0.0009421900000000, -0.0000978600000000, -0.0007228300000000 ] - [ 0.0076461600000000, -0.0004592500000000, 0.0279164200000000 ] - [ -0.0010182700000000, 0.0000438700000000, -0.0007492300000000 ] - [ -0.0005671800000000, -0.0002905900000000, 0.0009222300000000 ] - [ -0.0010053800000000, -0.0001561800000000, 0.0006838300000000 ] - [ -0.0002013700000000, -0.0000576000000000, -0.0000775500000000 ] - [ -0.0002011500000000, 0.0001379500000000, -0.0000745400000000 ] - [ -0.0002025200000000, -0.0000981400000000, 0.0000782700000000 ] - [ -0.0002006000000000, -0.0000372300000000, 0.0000767800000000 ] - [ 0.0002004800000000, -0.0000979800000000, 0.0000766800000000 ] - [ 0.0002021700000000, 0.0001634900000000, 0.0000778200000000 ] - [ 0.0002014500000000, 0.0003267800000000, -0.0000768800000000 ] - [ 0.0001997400000000, -0.0000577600000000, -0.0000767000000000 ] - [ 0.0001656700000000, 0.0003743800000000, 0.0002548200000000 ] - [ 0.0002231200000000, 0.0003511500000000, 0.0003074100000000 ] - [ 0.0001284900000000, -0.0003530100000000, -0.0004199300000000 ] - [ 0.0002018600000000, -0.0003880200000000, -0.0002618300000000 ] - [ -0.0000873000000000, 0.0009728700000000, -0.0000199600000000 ] - [ -0.0002556600000000, 0.0003797700000000, -0.0002672900000000 ] - [ -0.0000773700000000, -0.0002997300000000, 0.0003161900000000 ] - [ -0.0003934200000000, -0.0003302200000000, 0.0001657800000000 ] - [ -0.0003030600000000, 0.0002266400000000, -0.0005025500000000 ] - [ -0.0001357100000000, -0.0003720000000000, -0.0002588800000000 ] - [ -0.0003127100000000, 0.0004551900000000, 0.0002090200000000 ] - [ 0.0000020400000000, 0.0004259600000000, 0.0003581900000000 ] - [ 0.0002250400000000, -0.0003794800000000, 0.0002705400000000 ] - [ 0.0001673800000000, -0.0003995900000000, 0.0002200400000000 ] - [ 0.0002622900000000, 0.0003979600000000, -0.0001069100000000 ] - [ 0.0001883200000000, 0.0003674000000000, -0.0002628300000000 ] - [ 0.0012101800000000, -0.0012839600000000, -0.0018120900000000 ] - [ 0.0004912600000000, -0.0003457000000000, -0.0005867100000000 ] - [ 0.0008108400000000, 0.0002043600000000, 0.0002384200000000 ] - [ 0.0007110800000000, 0.0005063800000000, 0.0004025600000000 ] - [ -0.0004460000000000, -0.0003513000000000, 0.0006280500000000 ] - [ -0.0007263300000000, -0.0003390700000000, 0.0008122400000000 ] - [ -0.0002498300000000, 0.0008952900000000, -0.0012631200000000 ] - [ -0.0005173700000000, 0.0003509600000000, -0.0005654100000000 ] - [ -0.0005510600000000, 0.0003514100000000, 0.0005401100000000 ] - [ -0.0002665000000000, 0.0003634700000000, 0.0003532000000000 ] - [ -0.0007464300000000, 0.0001842700000000, 0.0000964300000000 ] - [ -0.0004776000000000, -0.0003510400000000, -0.0006001000000000 ] - [ -0.0002072900000000, -0.0005805900000000, 0.0006293800000000 ] - [ 0.0005055900000000, 0.0003555500000000, -0.0005814300000000 ] - [ 0.0001830000000000, -0.0004909200000000, 0.0009295100000000 ] - [ 0.0002906800000000, -0.0001963400000000, 0.0007654800000000 ] - [ 0.0010479300000000, 0.0469529200000000, 0.0008795200000000 ] - [ 0.0003998800000000, 0.0000794200000000, -0.0004228300000000 ] - [ 0.0004053000000000, 0.0002517100000000, 0.0004282100000000 ] - [ 0.0004038900000000, 0.0003593700000000, 0.0004254200000000 ] - [ -0.0003993100000000, -0.0000252800000000, 0.0004222200000000 ] - [ -0.0004019400000000, -0.0000088500000000, 0.0004237700000000 ] - [ -0.0004014100000000, -0.0003823800000000, -0.0004253200000000 ] - [ -0.0004046000000000, -0.0000535200000000, -0.0004259100000000 ] - [ -0.0009300300000000, 0.0000835800000000, -0.0002511000000000 ] - [ -0.0009293600000000, -0.0000122400000000, -0.0002533100000000 ] - [ -0.0009293800000000, 0.0003134500000000, 0.0002516800000000 ] - [ -0.0009330700000000, 0.0000442000000000, 0.0002485000000000 ] - [ 0.0009297100000000, -0.0001995300000000, 0.0002490400000000 ] - [ 0.0009296100000000, -0.0000783600000000, 0.0002525200000000 ] - [ 0.0009310400000000, -0.0002374300000000, -0.0002501100000000 ] - [ 0.0009352600000000, -0.0002615500000000, -0.0002478800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007439400000000, 0.0000000000000000, 0.0054546000000000 ] - [ 0.0007944200000000, 0.0000000000000000, 0.0004718700000000 ] - [ -0.0001405100000000, 0.0000000000000000, 0.0006692900000000 ] - [ 0.0009658600000000, 0.0000000000000000, -0.0001412700000000 ] - [ -0.0001818200000000, 0.0000000000000000, 0.0003851900000000 ] - [ -0.0006694900000000, 0.0000000000000000, 0.0001105800000000 ] - [ -0.0005791900000000, 0.0000000000000000, 0.0001531500000000 ] - [ -0.0018595900000000, 0.0000000000000000, 0.0011486800000000 ] - [ -0.1095223000000000, 0.0000000000000000, -0.3457670500000000 ] - [ 0.0005826500000000, 0.0000000000000000, 0.0005700300000000 ] - [ 0.0005789700000000, 0.0000000000000000, -0.0009840000000000 ] - [ 0.0004825500000000, 0.0000000000000000, -0.0009852000000000 ] - [ -0.0004961000000000, 0.0000000000000000, -0.0006244800000000 ] - [ -0.0005820600000000, 0.0000000000000000, -0.0005948100000000 ] - [ -0.0006802500000000, 0.0000000000000000, 0.0006982300000000 ] - [ -0.0005444100000000, 0.0000000000000000, 0.0007391400000000 ] - [ -0.0028528000000000, 0.0016706000000000, 0.0038917100000000 ] - [ -0.0010363100000000, -0.0000565500000000, -0.0007356900000000 ] - [ -0.0004941700000000, -0.0000038600000000, 0.0008471500000000 ] - [ -0.0009371300000000, 0.0001131300000000, 0.0007217700000000 ] - [ 0.0008723400000000, -0.0001114600000000, 0.0008328900000000 ] - [ 0.0008955700000000, -0.0001099200000000, 0.0007869500000000 ] - [ 0.0010540200000000, 0.0001161500000000, -0.0006060700000000 ] - [ 0.0008433600000000, 0.0001421400000000, -0.0007228200000000 ] - [ 0.0008723400000000, 0.0001114600000000, 0.0008328900000000 ] - [ 0.0008955700000000, 0.0001099200000000, 0.0007869500000000 ] - [ 0.0010540200000000, -0.0001161500000000, -0.0006060700000000 ] - [ 0.0008433600000000, -0.0001421400000000, -0.0007228200000000 ] - [ -0.0028528000000000, -0.0016706000000000, 0.0038917100000000 ] - [ -0.0010363100000000, 0.0000565500000000, -0.0007356900000000 ] - [ -0.0004941700000000, 0.0000038600000000, 0.0008471500000000 ] - [ -0.0009371300000000, -0.0001131300000000, 0.0007217700000000 ] - [ -0.0002480800000000, 0.0000000000000000, 0.0000039300000000 ] - [ -0.0002002400000000, 0.0000000000000000, 0.0001447900000000 ] - [ -0.0001082100000000, 0.0000000000000000, 0.0002141100000000 ] - [ -0.0002641500000000, 0.0000000000000000, 0.0000684300000000 ] - [ 0.0001525800000000, 0.0000000000000000, 0.0001069800000000 ] - [ 0.0000410100000000, 0.0000000000000000, 0.0001170600000000 ] - [ 0.0004622100000000, 0.0000000000000000, -0.0001060900000000 ] - [ 0.0002225700000000, 0.0000000000000000, -0.0000165700000000 ] - [ 0.0002180300000000, 0.0003422400000000, 0.0003430700000000 ] - [ 0.0001657900000000, 0.0003330500000000, 0.0003651300000000 ] - [ 0.0001866600000000, -0.0003983500000000, -0.0001727300000000 ] - [ 0.0002031500000000, -0.0003874800000000, -0.0001845300000000 ] - [ -0.0000978200000000, 0.0005518300000000, -0.0008253400000000 ] - [ -0.0001949400000000, 0.0003566900000000, -0.0004023900000000 ] - [ -0.0001643700000000, -0.0004162400000000, 0.0000183200000000 ] - [ -0.0003218600000000, -0.0003932700000000, 0.0000371800000000 ] - [ -0.0000978200000000, -0.0005518300000000, -0.0008253400000000 ] - [ -0.0001949400000000, -0.0003566900000000, -0.0004023900000000 ] - [ -0.0001643700000000, 0.0004162400000000, 0.0000183200000000 ] - [ -0.0003218600000000, 0.0003932700000000, 0.0000371800000000 ] - [ 0.0002180300000000, -0.0003422400000000, 0.0003430700000000 ] - [ 0.0001657900000000, -0.0003330500000000, 0.0003651300000000 ] - [ 0.0001866600000000, 0.0003983500000000, -0.0001727300000000 ] - [ 0.0002031500000000, 0.0003874800000000, -0.0001845300000000 ] - [ 0.0010362200000000, -0.0010628000000000, -0.0006573900000000 ] - [ 0.0004798600000000, -0.0003878400000000, -0.0004594800000000 ] - [ 0.0011285100000000, -0.0002913000000000, 0.0005168100000000 ] - [ 0.0001968000000000, 0.0001271700000000, 0.0005900800000000 ] - [ -0.0006172000000000, -0.0003429100000000, 0.0004895100000000 ] - [ -0.0002537400000000, -0.0003930600000000, 0.0003338200000000 ] - [ -0.0007091700000000, 0.0000351900000000, -0.0004787100000000 ] - [ -0.0004877800000000, 0.0003404800000000, -0.0007436100000000 ] - [ -0.0006172000000000, 0.0003429100000000, 0.0004895100000000 ] - [ -0.0002537400000000, 0.0003930600000000, 0.0003338200000000 ] - [ -0.0007091700000000, -0.0000351900000000, -0.0004787100000000 ] - [ -0.0004877800000000, -0.0003404800000000, -0.0007436100000000 ] - [ 0.0010362200000000, 0.0010628000000000, -0.0006573900000000 ] - [ 0.0004798600000000, 0.0003878400000000, -0.0004594800000000 ] - [ 0.0011285100000000, 0.0002913000000000, 0.0005168100000000 ] - [ 0.0001968000000000, -0.0001271700000000, 0.0005900800000000 ] - [ 0.1132202100000000, 0.0000000000000000, 0.3311023700000000 ] - [ 0.0005089900000000, 0.0000000000000000, -0.0004285600000000 ] - [ -0.0002028400000000, 0.0000000000000000, 0.0002874800000000 ] - [ 0.0007743600000000, 0.0000000000000000, 0.0005154500000000 ] - [ -0.0004701800000000, 0.0000000000000000, 0.0001410400000000 ] - [ -0.0003725300000000, 0.0000000000000000, 0.0002708200000000 ] - [ -0.0004318300000000, 0.0000000000000000, -0.0009534800000000 ] - [ -0.0003863600000000, 0.0000000000000000, -0.0004609800000000 ] - [ -0.0009501600000000, 0.0000000000000000, -0.0005049100000000 ] - [ -0.0009215200000000, 0.0000000000000000, -0.0004759000000000 ] - [ -0.0009587600000000, 0.0000000000000000, -0.0001303400000000 ] - [ -0.0009669700000000, 0.0000000000000000, 0.0001603700000000 ] - [ 0.0007948300000000, 0.0000000000000000, 0.0007664400000000 ] - [ 0.0009848400000000, 0.0000000000000000, 0.0003030000000000 ] - [ 0.0007823800000000, 0.0000000000000000, 0.0000374600000000 ] - [ 0.0014191400000000, 0.0000000000000000, -0.0000380900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006358600000000, 0.0000000000000000, -0.0050289700000000 ] - [ 0.0005841700000000, 0.0000000000000000, -0.0000115900000000 ] - [ 0.0015063800000000, 0.0000000000000000, -0.0011149800000000 ] - [ 0.0004157200000000, 0.0000000000000000, -0.0003177900000000 ] - [ -0.0011931800000000, 0.0000000000000000, -0.0008406900000000 ] - [ -0.0007053500000000, 0.0000000000000000, -0.0005652000000000 ] - [ -0.0007994000000000, 0.0000000000000000, 0.0003043600000000 ] - [ 0.0004558700000000, 0.0000000000000000, -0.0006702500000000 ] - [ 0.1194857600000000, 0.0000000000000000, 0.3685491500000000 ] - [ 0.0005437300000000, 0.0000000000000000, 0.0007677000000000 ] - [ 0.0005415400000000, 0.0000000000000000, -0.0003588100000000 ] - [ 0.0006502000000000, 0.0000000000000000, -0.0003595800000000 ] - [ -0.0006299100000000, 0.0000000000000000, -0.0007145700000000 ] - [ -0.0005444800000000, 0.0000000000000000, -0.0007435000000000 ] - [ -0.0004483300000000, 0.0000000000000000, 0.0006430600000000 ] - [ -0.0005826100000000, 0.0000000000000000, 0.0006029000000000 ] - [ 0.0011014700000000, -0.0019607500000000, -0.0052352500000000 ] - [ -0.0007868300000000, -0.0001958200000000, -0.0007213500000000 ] - [ -0.0013228900000000, 0.0002575900000000, 0.0006064900000000 ] - [ -0.0008864400000000, 0.0001387300000000, 0.0007357200000000 ] - [ 0.0009501200000000, -0.0001403800000000, 0.0006247000000000 ] - [ 0.0009274700000000, -0.0001419400000000, 0.0006705200000000 ] - [ 0.0007717400000000, 0.0001350800000000, -0.0008487800000000 ] - [ 0.0009795400000000, 0.0001083300000000, -0.0007345000000000 ] - [ 0.0009501200000000, 0.0001403800000000, 0.0006247000000000 ] - [ 0.0009274700000000, 0.0001419400000000, 0.0006705200000000 ] - [ 0.0007717400000000, -0.0001350800000000, -0.0008487800000000 ] - [ 0.0009795400000000, -0.0001083300000000, -0.0007345000000000 ] - [ 0.0011014700000000, 0.0019607500000000, -0.0052352500000000 ] - [ -0.0007868300000000, 0.0001958200000000, -0.0007213500000000 ] - [ -0.0013228900000000, -0.0002575900000000, 0.0006064900000000 ] - [ -0.0008864400000000, -0.0001387300000000, 0.0007357200000000 ] - [ -0.0001574200000000, 0.0000000000000000, -0.0001560300000000 ] - [ -0.0002047500000000, 0.0000000000000000, -0.0002943900000000 ] - [ -0.0002981300000000, 0.0000000000000000, -0.0000584700000000 ] - [ -0.0001413900000000, 0.0000000000000000, 0.0000837800000000 ] - [ 0.0002523000000000, 0.0000000000000000, 0.0000455500000000 ] - [ 0.0003658900000000, 0.0000000000000000, 0.0000364600000000 ] - [ -0.0000520100000000, 0.0000000000000000, -0.0000475700000000 ] - [ 0.0001832600000000, 0.0000000000000000, -0.0001351000000000 ] - [ 0.0001711900000000, 0.0004107700000000, 0.0001860000000000 ] - [ 0.0002233000000000, 0.0004179700000000, 0.0001654400000000 ] - [ 0.0002029200000000, -0.0003529800000000, -0.0003556600000000 ] - [ 0.0001862100000000, -0.0003661800000000, -0.0003424700000000 ] - [ -0.0002900300000000, 0.0002054600000000, 0.0002896700000000 ] - [ -0.0001943700000000, 0.0003941800000000, -0.0001286800000000 ] - [ -0.0002246700000000, -0.0003373700000000, 0.0005075800000000 ] - [ -0.0000691200000000, -0.0003602400000000, 0.0004875900000000 ] - [ -0.0002900300000000, -0.0002054600000000, 0.0002896700000000 ] - [ -0.0001943700000000, -0.0003941800000000, -0.0001286800000000 ] - [ -0.0002246700000000, 0.0003373700000000, 0.0005075800000000 ] - [ -0.0000691200000000, 0.0003602400000000, 0.0004875900000000 ] - [ 0.0001711900000000, -0.0004107700000000, 0.0001860000000000 ] - [ 0.0002233000000000, -0.0004179700000000, 0.0001654400000000 ] - [ 0.0002029200000000, 0.0003529800000000, -0.0003556600000000 ] - [ 0.0001862100000000, 0.0003661800000000, -0.0003424700000000 ] - [ -0.0000240400000000, 0.0003265000000000, -0.0005298900000000 ] - [ 0.0005171100000000, -0.0003142900000000, -0.0007075100000000 ] - [ -0.0001354200000000, 0.0009946900000000, 0.0006485500000000 ] - [ 0.0007966000000000, 0.0005733400000000, 0.0005758900000000 ] - [ -0.0003810500000000, -0.0003600400000000, 0.0006772900000000 ] - [ -0.0007387000000000, -0.0003107300000000, 0.0008299200000000 ] - [ -0.0002888900000000, 0.0006716600000000, -0.0006923900000000 ] - [ -0.0005086400000000, 0.0003616900000000, -0.0004243400000000 ] - [ -0.0003810500000000, 0.0003600400000000, 0.0006772900000000 ] - [ -0.0007387000000000, 0.0003107300000000, 0.0008299200000000 ] - [ -0.0002888900000000, -0.0006716600000000, -0.0006923900000000 ] - [ -0.0005086400000000, -0.0003616900000000, -0.0004243400000000 ] - [ -0.0000240400000000, -0.0003265000000000, -0.0005298900000000 ] - [ 0.0005171100000000, 0.0003142900000000, -0.0007075100000000 ] - [ -0.0001354200000000, -0.0009946900000000, 0.0006485500000000 ] - [ 0.0007966000000000, -0.0005733400000000, 0.0005758900000000 ] - [ -0.1213919600000000, 0.0000000000000000, -0.3535560400000000 ] - [ 0.0003196900000000, 0.0000000000000000, -0.0004399500000000 ] - [ 0.0010307200000000, 0.0000000000000000, 0.0005864000000000 ] - [ 0.0000649000000000, 0.0000000000000000, 0.0003578000000000 ] - [ -0.0003578700000000, 0.0000000000000000, 0.0007259100000000 ] - [ -0.0004579900000000, 0.0000000000000000, 0.0005967700000000 ] - [ -0.0003980400000000, 0.0000000000000000, 0.0000736600000000 ] - [ -0.0004473900000000, 0.0000000000000000, -0.0004115200000000 ] - [ -0.0009379000000000, 0.0000000000000000, 0.0000329500000000 ] - [ -0.0009661100000000, 0.0000000000000000, 0.0000011400000000 ] - [ -0.0009285500000000, 0.0000000000000000, 0.0005964300000000 ] - [ -0.0009224500000000, 0.0000000000000000, 0.0003089600000000 ] - [ 0.0010935400000000, 0.0000000000000000, -0.0002876000000000 ] - [ 0.0009012500000000, 0.0000000000000000, 0.0001696700000000 ] - [ 0.0011029600000000, 0.0000000000000000, -0.0005074200000000 ] - [ 0.0004783100000000, 0.0000000000000000, -0.0004316800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0053829700000000, -0.0039263600000000, -0.0007997800000000 ] - [ 0.0017354000000000, 0.0012950200000000, 0.0012285800000000 ] - [ 0.0000757400000000, -0.0000980500000000, -0.0002249600000000 ] - [ 0.0010331800000000, 0.0000280800000000, -0.0003477700000000 ] - [ 0.0000891000000000, 0.0008881600000000, -0.0002655300000000 ] - [ 0.0001286600000000, -0.0015771000000000, 0.0012266300000000 ] - [ -0.0003610100000000, -0.0000283900000000, 0.0001035600000000 ] - [ -0.0013566900000000, 0.0001282600000000, 0.0002153800000000 ] - [ 0.0087374100000000, -0.0087665900000000, -0.0012655500000000 ] - [ 0.0007374500000000, 0.0001054000000000, 0.0005459700000000 ] - [ 0.0006395500000000, -0.0000937900000000, -0.0006461800000000 ] - [ 0.0004976600000000, 0.0003430800000000, -0.0010834000000000 ] - [ -0.0004610600000000, 0.0000074900000000, -0.0007085700000000 ] - [ -0.0005155300000000, 0.0000548800000000, -0.0006857400000000 ] - [ -0.0006988400000000, 0.0001437800000000, 0.0005306400000000 ] - [ -0.0005070500000000, -0.0000295900000000, 0.0007387400000000 ] - [ -0.1578946600000000, 0.1624418300000000, -0.0326491700000000 ] - [ -0.0005155900000000, -0.0002300000000000, -0.0007461600000000 ] - [ -0.0008703200000000, 0.0001186500000000, 0.0007090500000000 ] - [ -0.0008697200000000, 0.0001655500000000, 0.0007524700000000 ] - [ 0.0009743900000000, -0.0000925000000000, 0.0007915300000000 ] - [ 0.0007178400000000, -0.0001354400000000, 0.0007155500000000 ] - [ 0.0010358400000000, 0.0001204100000000, -0.0007802400000000 ] - [ 0.0008590500000000, 0.0001348900000000, -0.0007262300000000 ] - [ 0.0011115400000000, 0.0000943500000000, 0.0006578000000000 ] - [ 0.0004223100000000, 0.0001357400000000, 0.0010388200000000 ] - [ 0.0009968200000000, -0.0001085900000000, -0.0007073300000000 ] - [ 0.0008790700000000, -0.0001296800000000, -0.0007387700000000 ] - [ -0.0122500500000000, 0.0197317200000000, -0.0044818400000000 ] - [ -0.0009205200000000, 0.0001164400000000, -0.0006639700000000 ] - [ -0.0008502700000000, -0.0001380200000000, 0.0007911000000000 ] - [ -0.0008494600000000, -0.0001357900000000, 0.0005593000000000 ] - [ -0.0001046000000000, 0.0000128600000000, -0.0000656700000000 ] - [ -0.0006358100000000, 0.0000608300000000, 0.0002353400000000 ] - [ -0.0001256000000000, -0.0000011800000000, 0.0000961000000000 ] - [ -0.0002407200000000, -0.0000079400000000, 0.0000485900000000 ] - [ -0.0003753000000000, -0.0002724800000000, 0.0001362800000000 ] - [ 0.0002558700000000, 0.0002661600000000, 0.0002001000000000 ] - [ 0.0002390400000000, 0.0000106600000000, -0.0000759300000000 ] - [ 0.0002561600000000, -0.0000026600000000, -0.0001249100000000 ] - [ 0.0003370500000000, 0.0003572300000000, 0.0001915200000000 ] - [ 0.0001060600000000, 0.0003489400000000, 0.0003741500000000 ] - [ 0.0001336100000000, -0.0003873700000000, -0.0003153700000000 ] - [ 0.0002335100000000, -0.0003746800000000, -0.0002058700000000 ] - [ 0.0000695600000000, 0.0000555000000000, 0.0000741000000000 ] - [ -0.0002799300000000, 0.0003406000000000, -0.0003355000000000 ] - [ -0.0001098100000000, -0.0003170900000000, 0.0003905500000000 ] - [ -0.0003822100000000, -0.0005982700000000, -0.0002906100000000 ] - [ -0.0003933900000000, 0.0005430500000000, 0.0005035400000000 ] - [ 0.0003181300000000, -0.0004311000000000, -0.0005626400000000 ] - [ -0.0001309400000000, 0.0004215400000000, 0.0002271300000000 ] - [ -0.0003102000000000, 0.0003022500000000, 0.0001642900000000 ] - [ 0.0002191200000000, -0.0003898900000000, 0.0002649700000000 ] - [ 0.0002168900000000, -0.0003145300000000, 0.0002080600000000 ] - [ 0.0001290300000000, 0.0002354800000000, -0.0004731500000000 ] - [ 0.0002222700000000, 0.0004145400000000, -0.0001527800000000 ] - [ 0.0008888200000000, -0.0005329300000000, -0.0010487500000000 ] - [ 0.0002546000000000, -0.0003677100000000, -0.0003893400000000 ] - [ 0.0009927600000000, -0.0003192800000000, 0.0004464800000000 ] - [ 0.0008106400000000, 0.0001782900000000, 0.0006086700000000 ] - [ -0.0006506300000000, -0.0003546500000000, 0.0006329400000000 ] - [ -0.0003218800000000, -0.0003663500000000, 0.0005421800000000 ] - [ -0.0003270800000000, -0.0004536000000000, 0.0007658100000000 ] - [ -0.0010163500000000, 0.0003200800000000, -0.0010696700000000 ] - [ -0.0007045800000000, 0.0003552800000000, 0.0006639900000000 ] - [ -0.0002601200000000, 0.0003686400000000, 0.0005364600000000 ] - [ -0.0004973500000000, -0.0003472100000000, -0.0005321200000000 ] - [ -0.0006264000000000, -0.0003323400000000, -0.0007172500000000 ] - [ 0.0006741000000000, 0.0004253700000000, -0.0008474900000000 ] - [ 0.0003562900000000, 0.0003645300000000, -0.0004537000000000 ] - [ -0.0005023600000000, -0.0005035100000000, 0.0004931000000000 ] - [ -0.0010694500000000, 0.0007415900000000, -0.0001397300000000 ] - [ 0.1568071000000000, -0.1697049700000000, 0.0373010500000000 ] - [ -0.0001582400000000, -0.0002671100000000, -0.0004410900000000 ] - [ 0.0002441700000000, 0.0000487600000000, 0.0003812400000000 ] - [ 0.0005748400000000, -0.0001518300000000, 0.0006974700000000 ] - [ -0.0007280000000000, -0.0001107900000000, 0.0004646900000000 ] - [ -0.0000746900000000, 0.0001549100000000, -0.0000793000000000 ] - [ -0.0003626900000000, -0.0001258500000000, -0.0003727800000000 ] - [ -0.0004406000000000, 0.0000177600000000, -0.0004364300000000 ] - [ -0.0011977100000000, 0.0001156700000000, -0.0001755100000000 ] - [ -0.0007951000000000, -0.0002774700000000, -0.0007175400000000 ] - [ -0.0008177100000000, 0.0001013000000000, 0.0003501300000000 ] - [ -0.0010114500000000, -0.0000229400000000, 0.0001883600000000 ] - [ 0.0009786100000000, -0.0001621500000000, -0.0003944100000000 ] - [ 0.0001918600000000, 0.0002840500000000, 0.0002539500000000 ] - [ 0.0007629200000000, -0.0000528900000000, -0.0003007000000000 ] - [ 0.0012446900000000, 0.0001410400000000, 0.0001930100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0039790900000000, 0.0038688100000000, 0.0012364100000000 ] - [ -0.0003734700000000, -0.0013171200000000, -0.0007891400000000 ] - [ 0.0013148300000000, 0.0000960700000000, -0.0002394100000000 ] - [ 0.0003404400000000, -0.0000319200000000, -0.0001098700000000 ] - [ -0.0014711900000000, -0.0008819800000000, -0.0001922800000000 ] - [ -0.0015209200000000, 0.0016096000000000, -0.0017138700000000 ] - [ -0.0010250400000000, 0.0000321400000000, 0.0003558500000000 ] - [ -0.0000105100000000, -0.0001261100000000, 0.0002400600000000 ] - [ -0.0076149200000000, 0.0085989000000000, 0.0026866200000000 ] - [ 0.0003853500000000, -0.0001071700000000, 0.0007953500000000 ] - [ 0.0004836400000000, 0.0000919600000000, -0.0006948500000000 ] - [ 0.0006398700000000, -0.0003472000000000, -0.0002533200000000 ] - [ -0.0006661100000000, -0.0000079300000000, -0.0006311800000000 ] - [ -0.0006115700000000, -0.0000555200000000, -0.0006536400000000 ] - [ -0.0004258800000000, -0.0001432500000000, 0.0008105100000000 ] - [ -0.0006213800000000, 0.0000303200000000, 0.0006015900000000 ] - [ 0.1536825900000000, -0.1551862200000000, 0.0299965300000000 ] - [ -0.0013097700000000, -0.0000241100000000, -0.0007099200000000 ] - [ -0.0009551200000000, 0.0001329100000000, 0.0007455300000000 ] - [ -0.0009549300000000, 0.0000851500000000, 0.0007050200000000 ] - [ 0.0008461900000000, -0.0001595800000000, 0.0006661700000000 ] - [ 0.0011074200000000, -0.0001160700000000, 0.0007412700000000 ] - [ 0.0007856400000000, 0.0001308400000000, -0.0006778100000000 ] - [ 0.0009661500000000, 0.0001150000000000, -0.0007310900000000 ] - [ 0.0007085300000000, 0.0001590400000000, 0.0007979900000000 ] - [ 0.0014062100000000, 0.0001170900000000, 0.0004130300000000 ] - [ 0.0008249700000000, -0.0001427100000000, -0.0007500200000000 ] - [ 0.0009459200000000, -0.0001198700000000, -0.0007184000000000 ] - [ 0.0102962000000000, -0.0191012400000000, 0.0029081100000000 ] - [ -0.0009048200000000, 0.0001337600000000, -0.0007939400000000 ] - [ -0.0009755500000000, -0.0001135600000000, 0.0006651800000000 ] - [ -0.0009751200000000, -0.0001156800000000, 0.0009012100000000 ] - [ -0.0003013000000000, -0.0000140200000000, -0.0000866300000000 ] - [ 0.0002359600000000, -0.0000606400000000, -0.0003843900000000 ] - [ -0.0002828800000000, 0.0000013100000000, 0.0000564000000000 ] - [ -0.0001620300000000, 0.0000078200000000, 0.0001040200000000 ] - [ 0.0007877600000000, 0.0002716900000000, 0.0000160100000000 ] - [ 0.0001485700000000, -0.0002657000000000, -0.0000498100000000 ] - [ 0.0001643400000000, -0.0000109600000000, -0.0000768600000000 ] - [ 0.0001469200000000, 0.0000030600000000, -0.0000269800000000 ] - [ 0.0000509100000000, 0.0003969200000000, 0.0003350700000000 ] - [ 0.0002842500000000, 0.0004021400000000, 0.0001523900000000 ] - [ 0.0002565700000000, -0.0003641800000000, -0.0002134800000000 ] - [ 0.0001550500000000, -0.0003797600000000, -0.0003226100000000 ] - [ -0.0004563300000000, 0.0007037400000000, -0.0006035200000000 ] - [ -0.0001092000000000, 0.0004126100000000, -0.0001918300000000 ] - [ -0.0002811600000000, -0.0004351900000000, 0.0001385300000000 ] - [ -0.0000025300000000, -0.0001522000000000, 0.0008287900000000 ] - [ -0.0000044600000000, -0.0013037500000000, -0.0010326600000000 ] - [ -0.0007161500000000, -0.0003200200000000, 0.0000409000000000 ] - [ -0.0002597600000000, 0.0003325900000000, 0.0002994400000000 ] - [ -0.0000768700000000, 0.0004533100000000, 0.0003656400000000 ] - [ 0.0001690800000000, -0.0003644900000000, 0.0002624500000000 ] - [ 0.0001713500000000, -0.0004373800000000, 0.0003213200000000 ] - [ 0.0002614600000000, 0.0005158900000000, -0.0000559500000000 ] - [ 0.0001664200000000, 0.0003388600000000, -0.0003767900000000 ] - [ 0.0001058700000000, -0.0001645300000000, -0.0001134900000000 ] - [ 0.0007466800000000, -0.0003339000000000, -0.0007847100000000 ] - [ 0.0000237600000000, 0.0010089500000000, 0.0007213900000000 ] - [ 0.0001823900000000, 0.0005190000000000, 0.0005587600000000 ] - [ -0.0003445700000000, -0.0003479400000000, 0.0005354200000000 ] - [ -0.0006788700000000, -0.0003365100000000, 0.0006275300000000 ] - [ -0.0006659100000000, 0.0011528000000000, -0.0019266700000000 ] - [ 0.0000270900000000, 0.0003832300000000, -0.0000873700000000 ] - [ -0.0002893300000000, 0.0003472300000000, 0.0005055400000000 ] - [ -0.0007409300000000, 0.0003341800000000, 0.0006350600000000 ] - [ -0.0005030200000000, -0.0003588400000000, -0.0006405400000000 ] - [ -0.0003681900000000, -0.0003703200000000, -0.0004485900000000 ] - [ 0.0003181800000000, 0.0002726500000000, -0.0003157300000000 ] - [ 0.0006438400000000, 0.0003370600000000, -0.0007165400000000 ] - [ 0.0014922000000000, -0.0002017700000000, 0.0006742900000000 ] - [ 0.0021293000000000, -0.0014982200000000, 0.0013204400000000 ] - [ -0.1535487800000000, 0.1621175900000000, -0.0369209100000000 ] - [ 0.0009924400000000, 0.0002746200000000, -0.0004256300000000 ] - [ 0.0005892200000000, -0.0000477600000000, 0.0004895700000000 ] - [ 0.0002525000000000, 0.0001539500000000, 0.0001688500000000 ] - [ -0.0000931800000000, 0.0001091600000000, 0.0004006300000000 ] - [ -0.0007560800000000, -0.0001588900000000, 0.0009549900000000 ] - [ -0.0004657200000000, 0.0001253900000000, -0.0004918700000000 ] - [ -0.0003905800000000, -0.0000182200000000, -0.0004335600000000 ] - [ -0.0006871800000000, -0.0001136000000000, -0.0002968100000000 ] - [ -0.0010910100000000, 0.0002833400000000, 0.0002502300000000 ] - [ -0.0010684100000000, -0.0001012700000000, 0.0001271200000000 ] - [ -0.0008751000000000, 0.0000238200000000, 0.0002858400000000 ] - [ 0.0009081100000000, 0.0001597500000000, 0.0008689000000000 ] - [ 0.0017085500000000, -0.0002943900000000, 0.0002198800000000 ] - [ 0.0011256800000000, 0.0000519200000000, -0.0001740300000000 ] - [ 0.0006365300000000, -0.0001444700000000, -0.0006751700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002965400000000, -0.0004122900000000, 0.0016651300000000 ] - [ 0.0008501200000000, -0.0009915500000000, -0.0001726500000000 ] - [ 0.0006885100000000, -0.0001142400000000, -0.0004651900000000 ] - [ 0.0005892700000000, -0.0000766100000000, -0.0002813400000000 ] - [ -0.0000652100000000, 0.0004683700000000, -0.0004819900000000 ] - [ -0.0008275900000000, 0.0010188000000000, -0.0003645600000000 ] - [ -0.0007536000000000, 0.0000766700000000, 0.0002079400000000 ] - [ -0.0005104900000000, 0.0001010700000000, 0.0001726700000000 ] - [ 0.0014957400000000, -0.0005225000000000, 0.0024496600000000 ] - [ 0.0004940100000000, -0.0000828400000000, 0.0007400900000000 ] - [ 0.0004271600000000, -0.0000298200000000, -0.0006824400000000 ] - [ 0.0010363600000000, -0.0001612600000000, -0.0007987300000000 ] - [ -0.0005513300000000, 0.0000186500000000, -0.0006845700000000 ] - [ -0.0005579900000000, -0.0000360000000000, -0.0006853000000000 ] - [ -0.0005459800000000, 0.0000498700000000, 0.0006795300000000 ] - [ -0.0005734600000000, 0.0000273400000000, 0.0006529500000000 ] - [ 0.1524226800000000, -0.2605293700000000, 0.0244336700000000 ] - [ -0.0010158200000000, -0.0001502200000000, -0.0007000800000000 ] - [ -0.0009521300000000, 0.0001641200000000, 0.0006376800000000 ] - [ -0.0009052100000000, 0.0001639700000000, 0.0007324700000000 ] - [ 0.0008772100000000, -0.0001061600000000, 0.0007700700000000 ] - [ 0.0009218100000000, -0.0000541200000000, 0.0007723600000000 ] - [ 0.0009062700000000, 0.0001460500000000, -0.0007598500000000 ] - [ 0.0009222500000000, 0.0001291300000000, -0.0007338100000000 ] - [ 0.0008780000000000, 0.0001527700000000, 0.0007377700000000 ] - [ 0.0009220300000000, 0.0001859000000000, 0.0005228400000000 ] - [ 0.0008946100000000, -0.0001249700000000, -0.0007449300000000 ] - [ 0.0009171500000000, -0.0001169500000000, -0.0007300800000000 ] - [ -0.0202308200000000, 0.0242772000000000, -0.0036144300000000 ] - [ -0.0009027500000000, 0.0000513400000000, -0.0007843200000000 ] - [ -0.0009221600000000, -0.0001948900000000, 0.0006529900000000 ] - [ -0.0009243900000000, -0.0001949100000000, 0.0008400000000000 ] - [ -0.0002447100000000, -0.0000167100000000, -0.0000746000000000 ] - [ -0.0001406500000000, -0.0000990000000000, 0.0004222000000000 ] - [ -0.0001982200000000, -0.0000127100000000, 0.0000574300000000 ] - [ -0.0001950100000000, -0.0000048700000000, 0.0000753300000000 ] - [ 0.0000328700000000, 0.0006091400000000, 0.0000311300000000 ] - [ 0.0001321400000000, -0.0000164700000000, 0.0000753800000000 ] - [ 0.0001900500000000, 0.0000191800000000, -0.0000588300000000 ] - [ 0.0001848500000000, 0.0000016900000000, -0.0000787000000000 ] - [ 0.0002512300000000, 0.0003460800000000, 0.0002385800000000 ] - [ 0.0001655000000000, 0.0002911400000000, 0.0001800400000000 ] - [ 0.0001833300000000, -0.0004052600000000, -0.0002610700000000 ] - [ 0.0001870800000000, -0.0003849300000000, -0.0002656400000000 ] - [ -0.0001484200000000, 0.0004662100000000, 0.0000533700000000 ] - [ -0.0001028900000000, 0.0003881000000000, -0.0002994200000000 ] - [ -0.0001949000000000, -0.0003701800000000, 0.0002608700000000 ] - [ -0.0001988500000000, -0.0002645500000000, 0.0005090600000000 ] - [ 0.0003268200000000, 0.0001243100000000, 0.0006953800000000 ] - [ -0.0004020100000000, -0.0002987600000000, -0.0001390300000000 ] - [ -0.0001977000000000, 0.0004061900000000, 0.0002261600000000 ] - [ -0.0001959400000000, 0.0004782400000000, 0.0002157000000000 ] - [ 0.0001917700000000, -0.0003756900000000, 0.0002744600000000 ] - [ 0.0001416300000000, -0.0003314400000000, 0.0002932500000000 ] - [ 0.0001679100000000, 0.0003212500000000, -0.0003571900000000 ] - [ 0.0001959900000000, 0.0003454900000000, -0.0003039000000000 ] - [ 0.0004360900000000, -0.0000280300000000, -0.0006137600000000 ] - [ 0.0005651000000000, -0.0003340400000000, -0.0006550100000000 ] - [ 0.0008300100000000, -0.0002160400000000, 0.0006382700000000 ] - [ -0.0000596900000000, -0.0002951600000000, 0.0004243500000000 ] - [ -0.0004840900000000, -0.0003587700000000, 0.0006060100000000 ] - [ -0.0005341900000000, -0.0003691200000000, 0.0006174900000000 ] - [ -0.0006706200000000, 0.0009844900000000, -0.0006918100000000 ] - [ -0.0003003000000000, 0.0003465500000000, -0.0003405500000000 ] - [ -0.0004914200000000, 0.0003563500000000, 0.0006168600000000 ] - [ -0.0005074600000000, 0.0003664700000000, 0.0006155200000000 ] - [ -0.0005558900000000, -0.0006320900000000, -0.0005166900000000 ] - [ -0.0005343000000000, -0.0003543800000000, -0.0006278600000000 ] - [ 0.0004544800000000, 0.0001490100000000, -0.0005519500000000 ] - [ 0.0005152200000000, 0.0003361000000000, -0.0005824400000000 ] - [ 0.0003955900000000, -0.0000599100000000, 0.0005847200000000 ] - [ 0.0018471200000000, 0.0003909300000000, 0.0008208000000000 ] - [ -0.1354419000000000, 0.2356962500000000, -0.0261031400000000 ] - [ 0.0006459300000000, 0.0003539800000000, -0.0004089000000000 ] - [ 0.0005734900000000, 0.0000430900000000, 0.0005838200000000 ] - [ 0.0003014500000000, 0.0001235700000000, 0.0003330400000000 ] - [ -0.0004149700000000, -0.0000972100000000, 0.0003795400000000 ] - [ -0.0004237700000000, -0.0001676700000000, 0.0005447200000000 ] - [ -0.0004257700000000, -0.0000559200000000, -0.0003590100000000 ] - [ -0.0004164000000000, -0.0000360000000000, -0.0004256300000000 ] - [ -0.0009193400000000, 0.0000759200000000, -0.0003234000000000 ] - [ -0.0009078800000000, 0.0002370900000000, -0.0002180700000000 ] - [ -0.0009210900000000, 0.0000860100000000, 0.0003080400000000 ] - [ -0.0009395600000000, 0.0000381000000000, 0.0002515900000000 ] - [ 0.0005859700000000, -0.0004922600000000, -0.0003194400000000 ] - [ 0.0010867600000000, -0.0002701300000000, 0.0002000900000000 ] - [ 0.0009706400000000, -0.0000415900000000, -0.0002081900000000 ] - [ 0.0009012100000000, -0.0001246000000000, -0.0003325300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015951100000000, 0.0004468700000000, -0.0011667100000000 ] - [ 0.0005211200000000, 0.0009840600000000, 0.0006164000000000 ] - [ 0.0006966600000000, 0.0001127700000000, 0.0000061300000000 ] - [ 0.0007878800000000, 0.0000737500000000, -0.0001760900000000 ] - [ -0.0013115800000000, -0.0004730100000000, 0.0000199800000000 ] - [ -0.0005562200000000, -0.0010146000000000, -0.0001053700000000 ] - [ -0.0006300000000000, -0.0000742600000000, 0.0002509700000000 ] - [ -0.0008632100000000, -0.0001002800000000, 0.0002862300000000 ] - [ -0.0004946500000000, 0.0006548400000000, -0.0011813900000000 ] - [ 0.0006294400000000, 0.0000816900000000, 0.0006008500000000 ] - [ 0.0006984200000000, 0.0000300000000000, -0.0006580300000000 ] - [ 0.0000932200000000, 0.0001619200000000, -0.0005384900000000 ] - [ -0.0005756400000000, -0.0000189000000000, -0.0006549300000000 ] - [ -0.0005683300000000, 0.0000355800000000, -0.0006539700000000 ] - [ -0.0005789900000000, -0.0000507600000000, 0.0006616500000000 ] - [ -0.0005541200000000, -0.0000272600000000, 0.0006874200000000 ] - [ -0.1653465600000000, 0.2704967400000000, -0.0276321200000000 ] - [ -0.0008097500000000, -0.0001019900000000, -0.0007564800000000 ] - [ -0.0008713500000000, 0.0000871600000000, 0.0008189800000000 ] - [ -0.0009185700000000, 0.0000869500000000, 0.0007251700000000 ] - [ 0.0009446900000000, -0.0001466100000000, 0.0006863400000000 ] - [ 0.0009027800000000, -0.0001983000000000, 0.0006832100000000 ] - [ 0.0009157100000000, 0.0001056300000000, -0.0006971600000000 ] - [ 0.0009021900000000, 0.0001210600000000, -0.0007234300000000 ] - [ 0.0009430100000000, 0.0000996600000000, 0.0007192700000000 ] - [ 0.0009037000000000, 0.0000660200000000, 0.0009310200000000 ] - [ 0.0009278200000000, -0.0001271900000000, -0.0007119600000000 ] - [ 0.0009071800000000, -0.0001335200000000, -0.0007270600000000 ] - [ 0.0186029600000000, -0.0247052200000000, 0.0021967300000000 ] - [ -0.0009199200000000, 0.0002003000000000, -0.0006734400000000 ] - [ -0.0009017500000000, -0.0000565600000000, 0.0008033300000000 ] - [ -0.0008991100000000, -0.0000565400000000, 0.0006183100000000 ] - [ -0.0001612300000000, 0.0000164300000000, -0.0000781700000000 ] - [ -0.0002624800000000, 0.0001019400000000, -0.0005742100000000 ] - [ -0.0002099700000000, 0.0000125700000000, 0.0000960100000000 ] - [ -0.0002089700000000, 0.0000046400000000, 0.0000774900000000 ] - [ 0.0003735200000000, -0.0006015900000000, 0.0001204400000000 ] - [ 0.0002742300000000, 0.0000151900000000, 0.0000772600000000 ] - [ 0.0002151900000000, -0.0000196600000000, -0.0000941200000000 ] - [ 0.0002197800000000, -0.0000018200000000, -0.0000740200000000 ] - [ 0.0001374000000000, 0.0004072200000000, 0.0002893200000000 ] - [ 0.0002246000000000, 0.0004601100000000, 0.0003483800000000 ] - [ 0.0002066400000000, -0.0003461300000000, -0.0002684500000000 ] - [ 0.0002019800000000, -0.0003688000000000, -0.0002629100000000 ] - [ -0.0002412300000000, 0.0002945400000000, -0.0005794100000000 ] - [ -0.0002873000000000, 0.0003628100000000, -0.0002284200000000 ] - [ -0.0001952400000000, -0.0003829800000000, 0.0002665900000000 ] - [ -0.0001891600000000, -0.0004876600000000, 0.0000232300000000 ] - [ -0.0007080400000000, -0.0008821900000000, -0.0012115800000000 ] - [ 0.0000089800000000, -0.0004516900000000, -0.0003879200000000 ] - [ -0.0001921400000000, 0.0003460800000000, 0.0003021200000000 ] - [ -0.0001924400000000, 0.0002746300000000, 0.0003146100000000 ] - [ 0.0001972400000000, -0.0003778800000000, 0.0002531300000000 ] - [ 0.0002474900000000, -0.0004201300000000, 0.0002354900000000 ] - [ 0.0002218900000000, 0.0004302100000000, -0.0001723000000000 ] - [ 0.0001931600000000, 0.0004074700000000, -0.0002249600000000 ] - [ 0.0005596800000000, -0.0006699200000000, -0.0005540100000000 ] - [ 0.0004353800000000, -0.0003684000000000, -0.0005177600000000 ] - [ 0.0001681900000000, 0.0009189500000000, 0.0005324800000000 ] - [ 0.0010677100000000, 0.0010078000000000, 0.0007473500000000 ] - [ -0.0005126800000000, -0.0003437500000000, 0.0005629800000000 ] - [ -0.0004652500000000, -0.0003335100000000, 0.0005518900000000 ] - [ -0.0003309300000000, -0.0002669600000000, -0.0004798400000000 ] - [ -0.0006929500000000, 0.0003552300000000, -0.0008222400000000 ] - [ -0.0005047000000000, 0.0003455600000000, 0.0005535300000000 ] - [ -0.0004924700000000, 0.0003357000000000, 0.0005557300000000 ] - [ -0.0004440200000000, -0.0000755700000000, -0.0006563500000000 ] - [ -0.0004616000000000, -0.0003480300000000, -0.0005390700000000 ] - [ 0.0005418000000000, 0.0005511300000000, -0.0006158000000000 ] - [ 0.0004847200000000, 0.0003657100000000, -0.0005883400000000 ] - [ 0.0006074800000000, -0.0006402500000000, 0.0005839900000000 ] - [ -0.0007806400000000, -0.0010919900000000, 0.0003546200000000 ] - [ 0.1472862500000000, -0.2454226400000000, 0.0269679500000000 ] - [ 0.0001861800000000, -0.0003499400000000, -0.0004561000000000 ] - [ 0.0002543800000000, -0.0000437600000000, 0.0002835600000000 ] - [ 0.0005282400000000, -0.0001242700000000, 0.0005347400000000 ] - [ -0.0004066000000000, 0.0000974100000000, 0.0004862500000000 ] - [ -0.0004056500000000, 0.0001674500000000, 0.0003275500000000 ] - [ -0.0004009300000000, 0.0000562200000000, -0.0005074300000000 ] - [ -0.0004141200000000, 0.0000358900000000, -0.0004440100000000 ] - [ -0.0009647800000000, -0.0000765700000000, -0.0001510000000000 ] - [ -0.0009772600000000, -0.0002366300000000, -0.0002540000000000 ] - [ -0.0009635100000000, -0.0000863400000000, 0.0001687300000000 ] - [ -0.0009459000000000, -0.0000381400000000, 0.0002237000000000 ] - [ 0.0012969600000000, 0.0004920200000000, 0.0007874400000000 ] - [ 0.0008031300000000, 0.0002687300000000, 0.0002756400000000 ] - [ 0.0009153000000000, 0.0000417700000000, -0.0002677400000000 ] - [ 0.0009825500000000, 0.0001238000000000, -0.0001474100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0023615100000000, 0.0038883400000000, -0.0005654900000000 ] - [ 0.0010257000000000, 0.0000185300000000, -0.0000648100000000 ] - [ 0.0005459900000000, -0.0004565000000000, 0.0003937700000000 ] - [ 0.0006546700000000, 0.0000482200000000, -0.0001269100000000 ] - [ -0.0012109300000000, -0.0010384500000000, -0.0011126900000000 ] - [ -0.0007027600000000, 0.0000896000000000, -0.0004517400000000 ] - [ -0.0006931700000000, -0.0000435200000000, 0.0003658300000000 ] - [ -0.0009884500000000, 0.0005366700000000, 0.0006229700000000 ] - [ 0.0210660900000000, -0.0287520000000000, 0.0053038700000000 ] - [ 0.0005529300000000, 0.0000218600000000, 0.0006624800000000 ] - [ 0.0005191700000000, 0.0000440700000000, -0.0006787100000000 ] - [ -0.0000119300000000, -0.0001976900000000, -0.0005527900000000 ] - [ -0.0006923100000000, -0.0000682900000000, -0.0005671100000000 ] - [ -0.0005706300000000, 0.0000245100000000, -0.0006126300000000 ] - [ -0.0005163400000000, -0.0003054400000000, 0.0007909200000000 ] - [ -0.0005738000000000, 0.0000052300000000, 0.0006774000000000 ] - [ -0.0314997100000000, 0.0249058200000000, -0.0445702900000000 ] - [ -0.0009298000000000, -0.0000975700000000, -0.0007263100000000 ] - [ -0.0009363000000000, 0.0001284100000000, 0.0007047000000000 ] - [ -0.0008943500000000, 0.0000337400000000, 0.0007050600000000 ] - [ 0.0009748300000000, -0.0001671800000000, 0.0006494000000000 ] - [ 0.0008983200000000, -0.0001700600000000, 0.0007067500000000 ] - [ 0.0009649200000000, 0.0001564500000000, -0.0004166600000000 ] - [ 0.0009098700000000, 0.0001299600000000, -0.0007268700000000 ] - [ 0.0008427600000000, 0.0001347200000000, 0.0007246500000000 ] - [ 0.0012226400000000, -0.0000777100000000, 0.0007856900000000 ] - [ 0.0008918400000000, -0.0001413200000000, -0.0007876300000000 ] - [ 0.0009226500000000, -0.0001260600000000, -0.0007114800000000 ] - [ -0.0046278800000000, 0.0030422500000000, -0.0003769000000000 ] - [ -0.0008477300000000, 0.0001807800000000, -0.0007475000000000 ] - [ -0.0007405700000000, -0.0002363800000000, 0.0007011400000000 ] - [ -0.0009759400000000, -0.0000495300000000, 0.0007008400000000 ] - [ -0.0001752400000000, -0.0000313000000000, -0.0001279200000000 ] - [ 0.0000172900000000, 0.0004401000000000, 0.0005688700000000 ] - [ -0.0001871600000000, -0.0000333500000000, 0.0001639300000000 ] - [ -0.0001970300000000, -0.0000020300000000, 0.0001086300000000 ] - [ 0.0002439100000000, -0.0001264600000000, -0.0001506100000000 ] - [ 0.0002399000000000, -0.0000661500000000, 0.0000406700000000 ] - [ 0.0002820000000000, 0.0001123700000000, -0.0000561200000000 ] - [ 0.0002081400000000, -0.0000360900000000, -0.0000572100000000 ] - [ -0.0000111800000000, 0.0004389100000000, 0.0003834300000000 ] - [ 0.0002508100000000, 0.0002809200000000, 0.0003746400000000 ] - [ 0.0001738900000000, -0.0003003800000000, -0.0003005700000000 ] - [ 0.0002004700000000, -0.0003761600000000, -0.0002525600000000 ] - [ -0.0002510300000000, 0.0003175200000000, -0.0000035700000000 ] - [ -0.0001654700000000, 0.0003731200000000, -0.0002542900000000 ] - [ -0.0001411000000000, -0.0004163200000000, 0.0002067000000000 ] - [ -0.0003905700000000, -0.0003298400000000, 0.0001624800000000 ] - [ 0.0001327600000000, 0.0001908700000000, -0.0004210600000000 ] - [ -0.0001672900000000, -0.0003966500000000, -0.0002675000000000 ] - [ -0.0002232200000000, 0.0003687200000000, 0.0003058700000000 ] - [ -0.0001912200000000, 0.0003646400000000, 0.0002371200000000 ] - [ 0.0002086000000000, -0.0003719500000000, 0.0002865100000000 ] - [ 0.0001032900000000, -0.0002530900000000, 0.0002910700000000 ] - [ 0.0002619400000000, 0.0005601600000000, 0.0001079200000000 ] - [ 0.0001947700000000, 0.0003720000000000, -0.0002633600000000 ] - [ 0.0005174700000000, -0.0008135500000000, -0.0016413100000000 ] - [ 0.0005275100000000, -0.0003602600000000, -0.0005973800000000 ] - [ -0.0001933100000000, 0.0008781500000000, 0.0004344500000000 ] - [ 0.0006213100000000, 0.0003793900000000, 0.0007969500000000 ] - [ -0.0004710400000000, -0.0003573800000000, 0.0005161200000000 ] - [ -0.0005017600000000, -0.0003514200000000, 0.0004782700000000 ] - [ 0.0001300100000000, 0.0009659800000000, -0.0013287400000000 ] - [ -0.0004313600000000, 0.0003838100000000, -0.0004653700000000 ] - [ -0.0004664000000000, 0.0003560700000000, 0.0004292400000000 ] - [ -0.0004020100000000, 0.0003537200000000, 0.0003035300000000 ] - [ -0.0002140700000000, -0.0000794900000000, 0.0002122700000000 ] - [ -0.0005164000000000, -0.0003743900000000, -0.0005227200000000 ] - [ 0.0003177000000000, 0.0001220100000000, -0.0002775400000000 ] - [ 0.0005252800000000, 0.0003599400000000, -0.0006300600000000 ] - [ 0.0007347800000000, -0.0003713300000000, 0.0008998300000000 ] - [ 0.0003132800000000, -0.0003397800000000, 0.0017045300000000 ] - [ 0.0170542300000000, -0.0036169200000000, 0.0379012800000000 ] - [ 0.0003834800000000, -0.0000703700000000, -0.0003956500000000 ] - [ 0.0003687300000000, 0.0000218100000000, 0.0004419900000000 ] - [ 0.0006144100000000, 0.0001473800000000, 0.0004352900000000 ] - [ -0.0001572700000000, 0.0002274500000000, 0.0005193200000000 ] - [ -0.0005735300000000, 0.0000814900000000, 0.0005054800000000 ] - [ -0.0004430100000000, 0.0000340100000000, -0.0008125200000000 ] - [ -0.0004025300000000, 0.0000015500000000, -0.0004557500000000 ] - [ -0.0007518200000000, -0.0001448500000000, -0.0001773900000000 ] - [ -0.0009873800000000, -0.0002050000000000, -0.0003714300000000 ] - [ -0.0009756200000000, -0.0000251400000000, -0.0000998800000000 ] - [ -0.0009374300000000, -0.0000042700000000, 0.0002131700000000 ] - [ 0.0008428300000000, 0.0002557700000000, 0.0004297000000000 ] - [ 0.0008913700000000, 0.0000554900000000, 0.0002593900000000 ] - [ 0.0008656000000000, -0.0000198300000000, -0.0002904800000000 ] - [ 0.0010814400000000, -0.0000310600000000, -0.0001966200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0037699400000000, -0.0038873700000000, 0.0010538700000000 ] - [ 0.0003561300000000, -0.0000108900000000, 0.0005358900000000 ] - [ 0.0008291600000000, 0.0004482900000000, -0.0008490000000000 ] - [ 0.0007289900000000, -0.0000510800000000, -0.0003339800000000 ] - [ -0.0001609400000000, 0.0010420700000000, 0.0006760600000000 ] - [ -0.0006695100000000, -0.0000991600000000, 0.0000094500000000 ] - [ -0.0006842900000000, 0.0000463000000000, 0.0000894000000000 ] - [ -0.0004009700000000, -0.0005279600000000, -0.0001644600000000 ] - [ -0.0196157500000000, 0.0285990400000000, -0.0038263700000000 ] - [ 0.0005739600000000, -0.0000214200000000, 0.0006749700000000 ] - [ 0.0006066200000000, -0.0000446700000000, -0.0006622200000000 ] - [ 0.0011326900000000, 0.0001964400000000, -0.0007906500000000 ] - [ -0.0004307600000000, 0.0000688500000000, -0.0007740400000000 ] - [ -0.0005551800000000, -0.0000242100000000, -0.0007267700000000 ] - [ -0.0006118200000000, 0.0003062600000000, 0.0005465600000000 ] - [ -0.0005522900000000, -0.0000052800000000, 0.0006638900000000 ] - [ 0.0311239000000000, -0.0271111100000000, 0.0439210500000000 ] - [ -0.0008916600000000, -0.0001552900000000, -0.0007300100000000 ] - [ -0.0008865800000000, 0.0001232500000000, 0.0007508100000000 ] - [ -0.0009283400000000, 0.0002174500000000, 0.0007511000000000 ] - [ 0.0008479200000000, -0.0000844900000000, 0.0008086300000000 ] - [ 0.0009218700000000, -0.0000826800000000, 0.0007511700000000 ] - [ 0.0008605400000000, 0.0000954200000000, -0.0010399000000000 ] - [ 0.0009127600000000, 0.0001213000000000, -0.0007303400000000 ] - [ 0.0009813900000000, 0.0001172700000000, 0.0007324100000000 ] - [ 0.0005948100000000, 0.0003320500000000, 0.0006730800000000 ] - [ 0.0009326000000000, -0.0001099800000000, -0.0006698500000000 ] - [ 0.0009002700000000, -0.0001248500000000, -0.0007458100000000 ] - [ 0.0027627500000000, -0.0027670400000000, -0.0010051700000000 ] - [ -0.0009757200000000, 0.0000713400000000, -0.0007084800000000 ] - [ -0.0010802100000000, -0.0000168000000000, 0.0007550300000000 ] - [ -0.0008475400000000, -0.0002021500000000, 0.0007546700000000 ] - [ -0.0002295100000000, 0.0000315000000000, -0.0000235900000000 ] - [ -0.0004299200000000, -0.0004446700000000, -0.0007257700000000 ] - [ -0.0002191200000000, 0.0000328300000000, -0.0000102000000000 ] - [ -0.0002073300000000, 0.0000018000000000, 0.0000432600000000 ] - [ 0.0001605800000000, 0.0001212900000000, 0.0003065100000000 ] - [ 0.0001653900000000, 0.0000676900000000, 0.0001143600000000 ] - [ 0.0001238400000000, -0.0001110700000000, -0.0000978100000000 ] - [ 0.0001956300000000, 0.0000358800000000, -0.0000958600000000 ] - [ 0.0004032100000000, 0.0003136000000000, 0.0001429600000000 ] - [ 0.0001381400000000, 0.0004707500000000, 0.0001544900000000 ] - [ 0.0002152300000000, -0.0004507400000000, -0.0002302400000000 ] - [ 0.0001891700000000, -0.0003783700000000, -0.0002740300000000 ] - [ -0.0001381200000000, 0.0004414900000000, -0.0005322500000000 ] - [ -0.0002244900000000, 0.0003785500000000, -0.0002758000000000 ] - [ -0.0002478400000000, -0.0003369400000000, 0.0003202200000000 ] - [ -0.0000006300000000, -0.0004244600000000, 0.0003606000000000 ] - [ -0.0005257500000000, -0.0009502200000000, -0.0001238400000000 ] - [ -0.0002192900000000, -0.0003554600000000, -0.0002642100000000 ] - [ -0.0001664300000000, 0.0003851800000000, 0.0002205800000000 ] - [ -0.0001983800000000, 0.0003892600000000, 0.0002880600000000 ] - [ 0.0001816800000000, -0.0003812900000000, 0.0002405000000000 ] - [ 0.0002872700000000, -0.0004990800000000, 0.0002376400000000 ] - [ 0.0001272000000000, 0.0001893200000000, -0.0006397700000000 ] - [ 0.0001949100000000, 0.0003825600000000, -0.0002628300000000 ] - [ 0.0004798400000000, 0.0001020800000000, 0.0004615400000000 ] - [ 0.0004683900000000, -0.0003427300000000, -0.0005690200000000 ] - [ 0.0011983200000000, -0.0001816000000000, 0.0007285400000000 ] - [ 0.0003716900000000, 0.0003209600000000, 0.0003676000000000 ] - [ -0.0005281600000000, -0.0003454800000000, 0.0006525500000000 ] - [ -0.0004936900000000, -0.0003513700000000, 0.0006893400000000 ] - [ -0.0011384100000000, -0.0002691300000000, 0.0001593100000000 ] - [ -0.0005676600000000, 0.0003181400000000, -0.0007050900000000 ] - [ -0.0005337400000000, 0.0003466000000000, 0.0007410600000000 ] - [ -0.0005918500000000, 0.0003490100000000, 0.0008646400000000 ] - [ -0.0007851200000000, -0.0006107800000000, -0.0013721700000000 ] - [ -0.0004812000000000, -0.0003275400000000, -0.0006473600000000 ] - [ 0.0006793700000000, 0.0005865900000000, -0.0008908300000000 ] - [ 0.0004713000000000, 0.0003429100000000, -0.0005353600000000 ] - [ 0.0002590100000000, -0.0003325800000000, 0.0002621000000000 ] - [ 0.0006725200000000, -0.0003560800000000, -0.0005510500000000 ] - [ -0.0179564000000000, 0.0057043400000000, -0.0397859200000000 ] - [ 0.0004353800000000, 0.0000690100000000, -0.0004692300000000 ] - [ 0.0004525600000000, -0.0000209700000000, 0.0004239300000000 ] - [ 0.0002168000000000, -0.0001462800000000, 0.0004359000000000 ] - [ -0.0006681100000000, -0.0002301700000000, 0.0003405500000000 ] - [ -0.0002457400000000, -0.0000811700000000, 0.0003543600000000 ] - [ -0.0003792700000000, -0.0000368400000000, -0.0000509200000000 ] - [ -0.0004254200000000, -0.0000014200000000, -0.0004115700000000 ] - [ -0.0011347100000000, 0.0001461100000000, -0.0003020300000000 ] - [ -0.0008924800000000, 0.0002063900000000, -0.0001123300000000 ] - [ -0.0009046100000000, 0.0000276900000000, 0.0005813900000000 ] - [ -0.0009475100000000, 0.0000043100000000, 0.0002631000000000 ] - [ 0.0010425300000000, -0.0002535700000000, 0.0000546200000000 ] - [ 0.0009838100000000, -0.0000538200000000, 0.0002209600000000 ] - [ 0.0010158700000000, 0.0000187800000000, -0.0001860600000000 ] - [ 0.0008065400000000, 0.0000303400000000, -0.0002765800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060950000000000, 0.0000000000000000, 0.0004458200000000 ] - [ 0.0018930000000000, 0.0000000000000000, 0.0011580100000000 ] - [ 0.0009817000000000, 0.0000000000000000, -0.0003423600000000 ] - [ 0.0001827100000000, 0.0000000000000000, -0.0001802100000000 ] - [ -0.0000652500000000, 0.0000000000000000, 0.0002933000000000 ] - [ 0.0001037700000000, 0.0000000000000000, 0.0010661100000000 ] - [ -0.0013030700000000, 0.0000000000000000, 0.0002170700000000 ] - [ -0.0004152500000000, 0.0000000000000000, 0.0000993000000000 ] - [ 0.0006492000000000, 0.0000000000000000, 0.0006249300000000 ] - [ 0.0006587300000000, 0.0000000000000000, 0.0006714300000000 ] - [ 0.0004755100000000, 0.0000000000000000, -0.0007671400000000 ] - [ 0.0006156700000000, 0.0000000000000000, -0.0006108900000000 ] - [ -0.0005055300000000, 0.0000000000000000, -0.0007201100000000 ] - [ -0.0003654000000000, 0.0000000000000000, -0.0008354500000000 ] - [ -0.0004983100000000, 0.0000000000000000, 0.0006528300000000 ] - [ -0.0007557100000000, 0.0000000000000000, 0.0004134800000000 ] - [ -0.0008145800000000, -0.0001669300000000, -0.0007024100000000 ] - [ -0.0013514600000000, -0.0000673900000000, -0.0005070700000000 ] - [ -0.0008353400000000, 0.0001179100000000, 0.0007131700000000 ] - [ -0.0009542600000000, 0.0001161500000000, 0.0007246300000000 ] - [ 0.0003264400000000, 0.0000458500000000, 0.0007698200000000 ] - [ 0.0009680700000000, -0.0000528100000000, 0.0007668200000000 ] - [ 0.0009693900000000, 0.0001058900000000, -0.0007360900000000 ] - [ 0.0009525900000000, 0.0001100700000000, -0.0008096600000000 ] - [ 0.0003264400000000, -0.0000458500000000, 0.0007698200000000 ] - [ 0.0009680700000000, 0.0000528100000000, 0.0007668200000000 ] - [ 0.0009693900000000, -0.0001058900000000, -0.0007360900000000 ] - [ 0.0009525900000000, -0.0001100700000000, -0.0008096600000000 ] - [ -0.0008145800000000, 0.0001669300000000, -0.0007024100000000 ] - [ -0.0013514600000000, 0.0000673900000000, -0.0005070700000000 ] - [ -0.0008353400000000, -0.0001179100000000, 0.0007131700000000 ] - [ -0.0009542600000000, -0.0001161500000000, 0.0007246300000000 ] - [ -0.3399361500000000, 0.0000000000000000, -0.1168159900000000 ] - [ -0.0001610600000000, 0.0000000000000000, -0.0000213400000000 ] - [ -0.0001437700000000, 0.0000000000000000, 0.0001665900000000 ] - [ -0.0001406900000000, 0.0000000000000000, 0.0000662800000000 ] - [ 0.0002475600000000, 0.0000000000000000, 0.0001404100000000 ] - [ -0.0000731500000000, 0.0000000000000000, 0.0002326000000000 ] - [ 0.0002946800000000, 0.0000000000000000, -0.0000594100000000 ] - [ 0.0001638400000000, 0.0000000000000000, -0.0001006300000000 ] - [ 0.0043444800000000, 0.0021559000000000, -0.0018145800000000 ] - [ 0.0003140500000000, 0.0003587900000000, 0.0001548100000000 ] - [ 0.0002896900000000, -0.0003361800000000, -0.0002711600000000 ] - [ 0.0000702200000000, -0.0003759900000000, -0.0005862800000000 ] - [ -0.0000856100000000, 0.0003899900000000, -0.0002994700000000 ] - [ -0.0002205500000000, 0.0003923000000000, -0.0002365700000000 ] - [ -0.0002739300000000, -0.0004016800000000, 0.0000803100000000 ] - [ -0.0001672300000000, -0.0003643900000000, 0.0003300000000000 ] - [ -0.0000856100000000, -0.0003899900000000, -0.0002994700000000 ] - [ -0.0002205500000000, -0.0003923000000000, -0.0002365700000000 ] - [ -0.0002739300000000, 0.0004016800000000, 0.0000803100000000 ] - [ -0.0001672300000000, 0.0003643900000000, 0.0003300000000000 ] - [ 0.0043444800000000, -0.0021559000000000, -0.0018145800000000 ] - [ 0.0003140500000000, -0.0003587900000000, 0.0001548100000000 ] - [ 0.0002896900000000, 0.0003361800000000, -0.0002711600000000 ] - [ 0.0000702200000000, 0.0003759900000000, -0.0005862800000000 ] - [ 0.0003382300000000, -0.0003534200000000, -0.0005217400000000 ] - [ 0.0006783800000000, -0.0003708700000000, -0.0006193800000000 ] - [ 0.0004310100000000, -0.0003031200000000, 0.0011964000000000 ] - [ 0.0002705400000000, 0.0003416200000000, 0.0003469000000000 ] - [ -0.0002707700000000, -0.0005499600000000, 0.0002698700000000 ] - [ -0.0006438200000000, -0.0003620200000000, 0.0007252900000000 ] - [ -0.0003759900000000, 0.0000226100000000, -0.0007735800000000 ] - [ -0.0006705600000000, -0.0004456800000000, -0.0007668700000000 ] - [ -0.0002707700000000, 0.0005499600000000, 0.0002698700000000 ] - [ -0.0006438200000000, 0.0003620200000000, 0.0007252900000000 ] - [ -0.0003759900000000, -0.0000226100000000, -0.0007735800000000 ] - [ -0.0006705600000000, 0.0004456800000000, -0.0007668700000000 ] - [ 0.0003382300000000, 0.0003534200000000, -0.0005217400000000 ] - [ 0.0006783800000000, 0.0003708700000000, -0.0006193800000000 ] - [ 0.0004310100000000, 0.0003031200000000, 0.0011964000000000 ] - [ 0.0002705400000000, -0.0003416200000000, 0.0003469000000000 ] - [ 0.0000995900000000, 0.0000000000000000, -0.0004333700000000 ] - [ 0.0005883800000000, 0.0000000000000000, -0.0009667900000000 ] - [ 0.0004315900000000, 0.0000000000000000, 0.0004748700000000 ] - [ 0.0003842800000000, 0.0000000000000000, 0.0004275100000000 ] - [ 0.0001512900000000, 0.0000000000000000, 0.0003169800000000 ] - [ -0.0008901300000000, 0.0000000000000000, 0.0003546200000000 ] - [ -0.0005484000000000, 0.0000000000000000, -0.0004123800000000 ] - [ -0.0002102900000000, 0.0000000000000000, -0.0001464200000000 ] - [ 0.3248669500000000, 0.0000000000000000, 0.1194749100000000 ] - [ -0.0012877900000000, 0.0000000000000000, -0.0001942400000000 ] - [ -0.0011427300000000, 0.0000000000000000, 0.0001854600000000 ] - [ -0.0007056000000000, 0.0000000000000000, 0.0005768200000000 ] - [ 0.0006370900000000, 0.0000000000000000, 0.0001861700000000 ] - [ 0.0010960100000000, 0.0000000000000000, -0.0001575700000000 ] - [ 0.0010740300000000, 0.0000000000000000, -0.0000669100000000 ] - [ 0.0008797100000000, 0.0000000000000000, -0.0002806100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0047563200000000, 0.0000000000000000, 0.0000134000000000 ] - [ -0.0005015200000000, 0.0000000000000000, -0.0006831500000000 ] - [ 0.0004032700000000, 0.0000000000000000, -0.0001159000000000 ] - [ 0.0011914900000000, 0.0000000000000000, -0.0002741000000000 ] - [ -0.0013103600000000, 0.0000000000000000, -0.0007505700000000 ] - [ -0.0014631100000000, 0.0000000000000000, -0.0014980600000000 ] - [ -0.0000854700000000, 0.0000000000000000, 0.0002416600000000 ] - [ -0.0009610900000000, 0.0000000000000000, 0.0003583700000000 ] - [ 0.0004766900000000, 0.0000000000000000, 0.0007118700000000 ] - [ 0.0004695300000000, 0.0000000000000000, 0.0006652200000000 ] - [ 0.0006499900000000, 0.0000000000000000, -0.0005710700000000 ] - [ 0.0005112500000000, 0.0000000000000000, -0.0007258500000000 ] - [ -0.0006201400000000, 0.0000000000000000, -0.0006182800000000 ] - [ -0.0007564400000000, 0.0000000000000000, -0.0005030500000000 ] - [ -0.0006270600000000, 0.0000000000000000, 0.0006846500000000 ] - [ -0.0003747700000000, 0.0000000000000000, 0.0009206800000000 ] - [ -0.0010049400000000, -0.0000874600000000, -0.0007545400000000 ] - [ -0.0004754500000000, -0.0001907700000000, -0.0009530200000000 ] - [ -0.0009855600000000, 0.0001351800000000, 0.0007440400000000 ] - [ -0.0008680400000000, 0.0001366700000000, 0.0007323800000000 ] - [ 0.0014868600000000, -0.0002952700000000, 0.0006863800000000 ] - [ 0.0008539600000000, -0.0002002900000000, 0.0006906900000000 ] - [ 0.0008528600000000, 0.0001469900000000, -0.0007208500000000 ] - [ 0.0008703100000000, 0.0001412200000000, -0.0006489100000000 ] - [ 0.0014868600000000, 0.0002952700000000, 0.0006863800000000 ] - [ 0.0008539600000000, 0.0002002900000000, 0.0006906900000000 ] - [ 0.0008528600000000, -0.0001469900000000, -0.0007208500000000 ] - [ 0.0008703100000000, -0.0001412200000000, -0.0006489100000000 ] - [ -0.0010049400000000, 0.0000874600000000, -0.0007545400000000 ] - [ -0.0004754500000000, 0.0001907700000000, -0.0009530200000000 ] - [ -0.0009855600000000, -0.0001351800000000, 0.0007440400000000 ] - [ -0.0008680400000000, -0.0001366700000000, 0.0007323800000000 ] - [ 0.3602133100000000, 0.0000000000000000, 0.1260527600000000 ] - [ -0.0002482300000000, 0.0000000000000000, -0.0001317600000000 ] - [ -0.0002658700000000, 0.0000000000000000, -0.0000113500000000 ] - [ -0.0002654600000000, 0.0000000000000000, 0.0000857700000000 ] - [ 0.0001608700000000, 0.0000000000000000, 0.0000123800000000 ] - [ 0.0004788500000000, 0.0000000000000000, -0.0000770500000000 ] - [ 0.0001133300000000, 0.0000000000000000, -0.0000933600000000 ] - [ 0.0002423700000000, 0.0000000000000000, -0.0000529100000000 ] - [ -0.0038342100000000, -0.0014460800000000, 0.0024245700000000 ] - [ 0.0000772400000000, 0.0003901800000000, 0.0003745600000000 ] - [ 0.0001013100000000, -0.0004123200000000, -0.0002596600000000 ] - [ 0.0003133500000000, -0.0003731200000000, 0.0000538400000000 ] - [ -0.0003028600000000, 0.0003618600000000, -0.0002301300000000 ] - [ -0.0001688400000000, 0.0003589100000000, -0.0002931500000000 ] - [ -0.0001161100000000, -0.0003499800000000, 0.0004487300000000 ] - [ -0.0002217500000000, -0.0003873700000000, 0.0002001000000000 ] - [ -0.0003028600000000, -0.0003618600000000, -0.0002301300000000 ] - [ -0.0001688400000000, -0.0003589100000000, -0.0002931500000000 ] - [ -0.0001161100000000, 0.0003499800000000, 0.0004487300000000 ] - [ -0.0002217500000000, 0.0003873700000000, 0.0002001000000000 ] - [ -0.0038342100000000, 0.0014460800000000, 0.0024245700000000 ] - [ 0.0000772400000000, -0.0003901800000000, 0.0003745600000000 ] - [ 0.0001013100000000, 0.0004123200000000, -0.0002596600000000 ] - [ 0.0003133500000000, 0.0003731200000000, 0.0000538400000000 ] - [ 0.0006575200000000, -0.0003489200000000, -0.0006471600000000 ] - [ 0.0003212900000000, -0.0003308700000000, -0.0005509000000000 ] - [ 0.0005649900000000, 0.0010077700000000, -0.0000325600000000 ] - [ 0.0007228200000000, 0.0003604100000000, 0.0008177100000000 ] - [ -0.0007256400000000, -0.0001544700000000, 0.0008961900000000 ] - [ -0.0003560300000000, -0.0003412600000000, 0.0004456900000000 ] - [ -0.0006263100000000, 0.0006839700000000, -0.0003946300000000 ] - [ -0.0003473800000000, 0.0011130500000000, -0.0004043600000000 ] - [ -0.0007256400000000, 0.0001544700000000, 0.0008961900000000 ] - [ -0.0003560300000000, 0.0003412600000000, 0.0004456900000000 ] - [ -0.0006263100000000, -0.0006839700000000, -0.0003946300000000 ] - [ -0.0003473800000000, -0.0011130500000000, -0.0004043600000000 ] - [ 0.0006575200000000, 0.0003489200000000, -0.0006471600000000 ] - [ 0.0003212900000000, 0.0003308700000000, -0.0005509000000000 ] - [ 0.0005649900000000, -0.0010077700000000, -0.0000325600000000 ] - [ 0.0007228200000000, -0.0003604100000000, 0.0008177100000000 ] - [ 0.0007264700000000, 0.0000000000000000, -0.0004348200000000 ] - [ 0.0002415600000000, 0.0000000000000000, 0.0001009300000000 ] - [ 0.0003986300000000, 0.0000000000000000, 0.0003931500000000 ] - [ 0.0004490400000000, 0.0000000000000000, 0.0004432400000000 ] - [ -0.0009666300000000, 0.0000000000000000, 0.0005488200000000 ] - [ 0.0000484900000000, 0.0000000000000000, 0.0005124200000000 ] - [ -0.0002849000000000, 0.0000000000000000, -0.0004566600000000 ] - [ -0.0006214900000000, 0.0000000000000000, -0.0007206700000000 ] - [ -0.3475832600000000, 0.0000000000000000, -0.1294908400000000 ] - [ -0.0006061200000000, 0.0000000000000000, -0.0002755500000000 ] - [ -0.0007476700000000, 0.0000000000000000, 0.0002853400000000 ] - [ -0.0011773800000000, 0.0000000000000000, -0.0001031000000000 ] - [ 0.0012504900000000, 0.0000000000000000, 0.0002815600000000 ] - [ 0.0007938700000000, 0.0000000000000000, 0.0006206700000000 ] - [ 0.0008159000000000, 0.0000000000000000, -0.0004038900000000 ] - [ 0.0010090800000000, 0.0000000000000000, -0.0001909700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007041400000000, -0.0000792600000000, 0.0002114800000000 ] - [ 0.0006835700000000, -0.0014707900000000, 0.0002333200000000 ] - [ 0.0006907400000000, -0.0001101200000000, -0.0002293800000000 ] - [ 0.0006896000000000, -0.0000042700000000, -0.0002292900000000 ] - [ -0.0006910900000000, 0.0002017100000000, -0.0002280000000000 ] - [ -0.0006856600000000, 0.0018547100000000, -0.0002250700000000 ] - [ -0.0006894700000000, -0.0000515300000000, 0.0002293400000000 ] - [ -0.0006884200000000, 0.0001046400000000, 0.0002301500000000 ] - [ 0.0005621600000000, -0.0000576000000000, 0.0006701100000000 ] - [ 0.0005618900000000, 0.0001379600000000, 0.0006683500000000 ] - [ 0.0005625800000000, -0.0000981600000000, -0.0006698500000000 ] - [ 0.0005623800000000, -0.0000372200000000, -0.0006691100000000 ] - [ -0.0005627300000000, -0.0000979500000000, -0.0006710100000000 ] - [ -0.0005611400000000, 0.0001635700000000, -0.0006699600000000 ] - [ -0.0005620600000000, -0.0000577900000000, 0.0006699600000000 ] - [ -0.0005627000000000, 0.0003267900000000, 0.0006696300000000 ] - [ -0.0008979700000000, -0.0001428900000000, -0.0007591900000000 ] - [ -0.0008514400000000, -0.0002307500000000, -0.0002880200000000 ] - [ -0.0009107900000000, 0.0001134200000000, 0.0006947500000000 ] - [ -0.0009040100000000, 0.0001215100000000, 0.0007260200000000 ] - [ 0.0011848800000000, 0.0004751900000000, 0.0008517400000000 ] - [ 0.0006465600000000, -0.0001423300000000, 0.0007947700000000 ] - [ 0.0009089500000000, 0.0001277500000000, -0.0006917800000000 ] - [ 0.0009231300000000, 0.0001448300000000, -0.0008399900000000 ] - [ 0.0006408700000000, 0.0007353100000000, 0.0006040000000000 ] - [ 0.0011783800000000, 0.0001107000000000, 0.0006609000000000 ] - [ 0.0009146600000000, -0.0001244000000000, -0.0007637300000000 ] - [ 0.0009015400000000, -0.0001060000000000, -0.0006165800000000 ] - [ -0.0009248800000000, 0.0001096000000000, -0.0006964400000000 ] - [ -0.0009728900000000, 0.0000297400000000, -0.0011727500000000 ] - [ -0.0009132200000000, -0.0001389000000000, 0.0007609100000000 ] - [ -0.0009197200000000, -0.0001312700000000, 0.0007297900000000 ] - [ -0.0014237000000000, -0.0459115200000000, -0.0004972900000000 ] - [ -0.0002031600000000, 0.0001242600000000, -0.0000780300000000 ] - [ -0.0002038000000000, 0.0000206900000000, 0.0000797200000000 ] - [ -0.0002010800000000, 0.0000206500000000, 0.0000765000000000 ] - [ 0.0002023000000000, -0.0000248700000000, 0.0000773400000000 ] - [ 0.0002025900000000, 0.0002044600000000, 0.0000788500000000 ] - [ 0.0002016300000000, 0.0000137400000000, -0.0000774300000000 ] - [ 0.0002004600000000, 0.0000011500000000, -0.0000770100000000 ] - [ -0.0283385300000000, -0.0000361000000000, -0.0094767800000000 ] - [ 0.0004182700000000, 0.0003076600000000, 0.0001813000000000 ] - [ 0.0001455800000000, -0.0003485800000000, -0.0003280900000000 ] - [ 0.0001286400000000, -0.0005479300000000, 0.0000508300000000 ] - [ -0.0001359700000000, 0.0003958100000000, -0.0002704900000000 ] - [ -0.0001773500000000, 0.0004058500000000, -0.0003659800000000 ] - [ -0.0001621300000000, -0.0003041500000000, 0.0003734000000000 ] - [ -0.0002043100000000, -0.0003524800000000, 0.0002868800000000 ] - [ -0.0002546300000000, -0.0003571000000000, -0.0002553200000000 ] - [ -0.0002139100000000, -0.0003455200000000, -0.0001609500000000 ] - [ -0.0002284700000000, 0.0004489100000000, 0.0001525600000000 ] - [ -0.0001857700000000, 0.0004025600000000, 0.0002385600000000 ] - [ 0.0286758700000000, -0.0007806100000000, 0.0097541900000000 ] - [ -0.0000258100000000, -0.0004419700000000, 0.0003451400000000 ] - [ 0.0002478300000000, 0.0003996500000000, -0.0001997500000000 ] - [ 0.0002588200000000, 0.0002027300000000, -0.0005760600000000 ] - [ 0.0005060600000000, -0.0003493100000000, -0.0005980600000000 ] - [ 0.0005080600000000, -0.0003519400000000, -0.0006145200000000 ] - [ 0.0001629900000000, 0.0001982800000000, 0.0008766300000000 ] - [ 0.0006986700000000, 0.0003689500000000, 0.0007729000000000 ] - [ -0.0007329600000000, -0.0002542700000000, 0.0006307200000000 ] - [ -0.0004515300000000, -0.0003496100000000, 0.0005424700000000 ] - [ -0.0011674000000000, 0.0008615300000000, -0.0003399300000000 ] - [ -0.0018521400000000, -0.0007574400000000, -0.0009477300000000 ] - [ -0.0002631700000000, 0.0004472800000000, 0.0005432300000000 ] - [ -0.0005451100000000, 0.0003530300000000, 0.0006263200000000 ] - [ 0.0001713200000000, 0.0001510600000000, -0.0008267100000000 ] - [ 0.0008398300000000, -0.0014572900000000, -0.0002188300000000 ] - [ 0.0004893700000000, 0.0003525600000000, -0.0005696600000000 ] - [ 0.0004880800000000, 0.0003495900000000, -0.0005532400000000 ] - [ 0.0008339400000000, -0.0004970000000000, 0.0002880600000000 ] - [ 0.0002948000000000, -0.0003327800000000, 0.0003907300000000 ] - [ 0.0004010200000000, 0.0001014400000000, -0.0004236500000000 ] - [ 0.0003998000000000, 0.0001592700000000, -0.0004184500000000 ] - [ 0.0004003400000000, 0.0000713300000000, 0.0004227000000000 ] - [ 0.0004023900000000, 0.0000441300000000, 0.0004241900000000 ] - [ -0.0004007500000000, -0.0002140200000000, 0.0004212000000000 ] - [ -0.0004035100000000, -0.0005892800000000, 0.0004222500000000 ] - [ -0.0004002600000000, 0.0000020200000000, -0.0004225200000000 ] - [ -0.0004036600000000, -0.0001826500000000, -0.0004243100000000 ] - [ 0.0003505400000000, 0.0469130600000000, 0.0004264800000000 ] - [ -0.0009301900000000, 0.0002453700000000, -0.0002530400000000 ] - [ -0.0009305600000000, -0.0000112000000000, 0.0002522700000000 ] - [ -0.0009313400000000, 0.0001361700000000, 0.0002494100000000 ] - [ 0.0009301800000000, -0.0000387800000000, 0.0002512000000000 ] - [ 0.0009291500000000, -0.0004046800000000, 0.0002522600000000 ] - [ 0.0009312100000000, -0.0000919400000000, -0.0002504200000000 ] - [ 0.0009336600000000, -0.0000463600000000, -0.0002491300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0043049600000000, 0.0000000000000000, -0.0021344400000000 ] - [ 0.0013777400000000, 0.0000000000000000, -0.0003831800000000 ] - [ 0.0006214200000000, 0.0000000000000000, -0.0000628700000000 ] - [ 0.0007462800000000, 0.0000000000000000, 0.0004570500000000 ] - [ -0.0015259200000000, 0.0000000000000000, -0.0013857300000000 ] - [ -0.0007744100000000, 0.0000000000000000, -0.0006844700000000 ] - [ -0.0008099600000000, 0.0000000000000000, 0.0005947900000000 ] - [ -0.0007233700000000, 0.0000000000000000, 0.0004332800000000 ] - [ 0.0004175400000000, 0.0000000000000000, 0.0007503400000000 ] - [ 0.0005186500000000, 0.0000000000000000, 0.0008909200000000 ] - [ 0.0005519700000000, 0.0000000000000000, -0.0005345800000000 ] - [ 0.0005671600000000, 0.0000000000000000, -0.0006791900000000 ] - [ -0.0006186300000000, 0.0000000000000000, -0.0006382100000000 ] - [ -0.0005592500000000, 0.0000000000000000, -0.0006290300000000 ] - [ -0.0005770900000000, 0.0000000000000000, 0.0007302500000000 ] - [ -0.0006245400000000, 0.0000000000000000, 0.0006437700000000 ] - [ -0.0009018300000000, -0.0001239600000000, -0.0007799500000000 ] - [ -0.0005993500000000, 0.0003747800000000, -0.0000783900000000 ] - [ -0.0009326900000000, 0.0001056300000000, 0.0008145400000000 ] - [ -0.0008848800000000, 0.0001235800000000, 0.0007607400000000 ] - [ 0.0009724900000000, -0.0000794600000000, 0.0004986300000000 ] - [ 0.0010365100000000, -0.0001251100000000, 0.0006904200000000 ] - [ 0.0009611200000000, 0.0001272100000000, -0.0007083500000000 ] - [ 0.0009124400000000, 0.0001069100000000, -0.0007066900000000 ] - [ 0.0009724900000000, 0.0000794600000000, 0.0004986300000000 ] - [ 0.0010365100000000, 0.0001251100000000, 0.0006904200000000 ] - [ 0.0009611200000000, -0.0001272100000000, -0.0007083500000000 ] - [ 0.0009124400000000, -0.0001069100000000, -0.0007066900000000 ] - [ -0.0009018300000000, 0.0001239600000000, -0.0007799500000000 ] - [ -0.0005993500000000, -0.0003747800000000, -0.0000783900000000 ] - [ -0.0009326900000000, -0.0001056300000000, 0.0008145400000000 ] - [ -0.0008848800000000, -0.0001235800000000, 0.0007607400000000 ] - [ -0.1211422000000000, 0.0000000000000000, -0.0787750200000000 ] - [ -0.0001471400000000, 0.0000000000000000, -0.0001054500000000 ] - [ -0.0001932700000000, 0.0000000000000000, 0.0000517100000000 ] - [ -0.0002878100000000, 0.0000000000000000, 0.0000495400000000 ] - [ 0.0002643900000000, 0.0000000000000000, -0.0000580900000000 ] - [ 0.0003570400000000, 0.0000000000000000, 0.0000146900000000 ] - [ 0.0001829900000000, 0.0000000000000000, 0.0000200700000000 ] - [ 0.0002239900000000, 0.0000000000000000, -0.0000555700000000 ] - [ 0.0204097400000000, 0.0013740300000000, 0.0090660400000000 ] - [ 0.0001900400000000, 0.0003751100000000, 0.0002862900000000 ] - [ 0.0001945600000000, -0.0003892500000000, -0.0002141700000000 ] - [ -0.0002009500000000, -0.0000375200000000, -0.0000554300000000 ] - [ -0.0003252200000000, 0.0003665500000000, -0.0001702600000000 ] - [ -0.0001588100000000, 0.0003474500000000, -0.0001843900000000 ] - [ -0.0001377700000000, -0.0003372300000000, 0.0004749400000000 ] - [ -0.0002010400000000, -0.0003832400000000, 0.0002576000000000 ] - [ -0.0003252200000000, -0.0003665500000000, -0.0001702600000000 ] - [ -0.0001588100000000, -0.0003474500000000, -0.0001843900000000 ] - [ -0.0001377700000000, 0.0003372300000000, 0.0004749400000000 ] - [ -0.0002010400000000, 0.0003832400000000, 0.0002576000000000 ] - [ 0.0204097400000000, -0.0013740300000000, 0.0090660400000000 ] - [ 0.0001900400000000, -0.0003751100000000, 0.0002862900000000 ] - [ 0.0001945600000000, 0.0003892500000000, -0.0002141700000000 ] - [ -0.0002009500000000, 0.0000375200000000, -0.0000554300000000 ] - [ 0.0005630600000000, -0.0003457000000000, -0.0007055500000000 ] - [ 0.0004910600000000, -0.0003437700000000, -0.0007782600000000 ] - [ 0.0010448100000000, 0.0009891200000000, 0.0002948400000000 ] - [ 0.0004708800000000, 0.0004320900000000, 0.0007118900000000 ] - [ -0.0006839700000000, -0.0004007900000000, 0.0003772500000000 ] - [ -0.0004682500000000, -0.0003632300000000, 0.0005058300000000 ] - [ -0.0009918700000000, 0.0011307100000000, -0.0005021600000000 ] - [ -0.0003543600000000, 0.0004529200000000, 0.0002113600000000 ] - [ -0.0006839700000000, 0.0004007900000000, 0.0003772500000000 ] - [ -0.0004682500000000, 0.0003632300000000, 0.0005058300000000 ] - [ -0.0009918700000000, -0.0011307100000000, -0.0005021600000000 ] - [ -0.0003543600000000, -0.0004529200000000, 0.0002113600000000 ] - [ 0.0005630600000000, 0.0003457000000000, -0.0007055500000000 ] - [ 0.0004910600000000, 0.0003437700000000, -0.0007782600000000 ] - [ 0.0010448100000000, -0.0009891200000000, 0.0002948400000000 ] - [ 0.0004708800000000, -0.0004320900000000, 0.0007118900000000 ] - [ 0.0005780400000000, 0.0000000000000000, -0.0002244300000000 ] - [ -0.0000468600000000, 0.0000000000000000, -0.0008986000000000 ] - [ 0.0004058500000000, 0.0000000000000000, 0.0001733400000000 ] - [ 0.0003840700000000, 0.0000000000000000, 0.0003680500000000 ] - [ -0.0003160400000000, 0.0000000000000000, 0.0008126700000000 ] - [ -0.0005152500000000, 0.0000000000000000, 0.0004912300000000 ] - [ -0.0004696400000000, 0.0000000000000000, -0.0005278900000000 ] - [ -0.0003538800000000, 0.0000000000000000, -0.0004820200000000 ] - [ 0.0845876000000000, 0.0000000000000000, 0.0618506900000000 ] - [ -0.0009590700000000, 0.0000000000000000, -0.0002058400000000 ] - [ -0.0009276100000000, 0.0000000000000000, 0.0001952900000000 ] - [ -0.0005941400000000, 0.0000000000000000, 0.0000236700000000 ] - [ 0.0012923800000000, 0.0000000000000000, 0.0003815100000000 ] - [ 0.0007804900000000, 0.0000000000000000, 0.0003448700000000 ] - [ 0.0008589400000000, 0.0000000000000000, -0.0006701400000000 ] - [ 0.0009430300000000, 0.0000000000000000, -0.0002765500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0056833700000000, 0.0000000000000000, 0.0025899400000000 ] - [ -0.0000101600000000, 0.0000000000000000, 0.0008270900000000 ] - [ 0.0007583900000000, 0.0000000000000000, -0.0003926500000000 ] - [ 0.0006360900000000, 0.0000000000000000, -0.0009195500000000 ] - [ 0.0001471900000000, 0.0000000000000000, 0.0009190900000000 ] - [ -0.0006087200000000, 0.0000000000000000, 0.0002112500000000 ] - [ -0.0005646200000000, 0.0000000000000000, -0.0001363800000000 ] - [ -0.0006590700000000, 0.0000000000000000, 0.0000261400000000 ] - [ 0.0007082700000000, 0.0000000000000000, 0.0005898600000000 ] - [ 0.0006051800000000, 0.0000000000000000, 0.0004507400000000 ] - [ 0.0005746300000000, 0.0000000000000000, -0.0008043100000000 ] - [ 0.0005591800000000, 0.0000000000000000, -0.0006609800000000 ] - [ -0.0005075900000000, 0.0000000000000000, -0.0006992600000000 ] - [ -0.0005690900000000, 0.0000000000000000, -0.0007076900000000 ] - [ -0.0005495200000000, 0.0000000000000000, 0.0006094000000000 ] - [ -0.0005011400000000, 0.0000000000000000, 0.0007000600000000 ] - [ -0.0009216700000000, -0.0001277300000000, -0.0006772100000000 ] - [ -0.0012178700000000, -0.0006220600000000, -0.0013750700000000 ] - [ -0.0008910300000000, 0.0001461100000000, 0.0006422300000000 ] - [ -0.0009377600000000, 0.0001279700000000, 0.0006963100000000 ] - [ 0.0008519000000000, -0.0001684200000000, 0.0009579700000000 ] - [ 0.0007849800000000, -0.0001281700000000, 0.0007659100000000 ] - [ 0.0008610800000000, 0.0001244200000000, -0.0007482000000000 ] - [ 0.0009114600000000, 0.0001439700000000, -0.0007496800000000 ] - [ 0.0008519000000000, 0.0001684200000000, 0.0009579700000000 ] - [ 0.0007849800000000, 0.0001281700000000, 0.0007659100000000 ] - [ 0.0008610800000000, -0.0001244200000000, -0.0007482000000000 ] - [ 0.0009114600000000, -0.0001439700000000, -0.0007496800000000 ] - [ -0.0009216700000000, 0.0001277300000000, -0.0006772100000000 ] - [ -0.0012178700000000, 0.0006220600000000, -0.0013750700000000 ] - [ -0.0008910300000000, -0.0001461100000000, 0.0006422300000000 ] - [ -0.0009377600000000, -0.0001279700000000, 0.0006963100000000 ] - [ 0.1214449900000000, 0.0000000000000000, 0.0767760200000000 ] - [ -0.0002606700000000, 0.0000000000000000, -0.0000489900000000 ] - [ -0.0002149900000000, 0.0000000000000000, 0.0001048400000000 ] - [ -0.0001148500000000, 0.0000000000000000, 0.0001036000000000 ] - [ 0.0001407500000000, 0.0000000000000000, 0.0002100600000000 ] - [ 0.0000514900000000, 0.0000000000000000, 0.0001366900000000 ] - [ 0.0002209900000000, 0.0000000000000000, -0.0001735500000000 ] - [ 0.0001801300000000, 0.0000000000000000, -0.0000967500000000 ] - [ -0.0203054000000000, -0.0004444300000000, -0.0085358400000000 ] - [ 0.0001983000000000, 0.0003764200000000, 0.0002445100000000 ] - [ 0.0001965400000000, -0.0003601700000000, -0.0003155200000000 ] - [ 0.0005956500000000, -0.0007211700000000, -0.0004703300000000 ] - [ -0.0000648200000000, 0.0003865700000000, -0.0003569200000000 ] - [ -0.0002305600000000, 0.0004040700000000, -0.0003443200000000 ] - [ -0.0002512600000000, -0.0004161000000000, 0.0000540900000000 ] - [ -0.0001883100000000, -0.0003710500000000, 0.0002692000000000 ] - [ -0.0000648200000000, -0.0003865700000000, -0.0003569200000000 ] - [ -0.0002305600000000, -0.0004040700000000, -0.0003443200000000 ] - [ -0.0002512600000000, 0.0004161000000000, 0.0000540900000000 ] - [ -0.0001883100000000, 0.0003710500000000, 0.0002692000000000 ] - [ -0.0203054000000000, 0.0004444300000000, -0.0085358400000000 ] - [ 0.0001983000000000, -0.0003764200000000, 0.0002445100000000 ] - [ 0.0001965400000000, 0.0003601700000000, -0.0003155200000000 ] - [ 0.0005956500000000, 0.0007211700000000, -0.0004703300000000 ] - [ 0.0004356200000000, -0.0003562200000000, -0.0004637500000000 ] - [ 0.0005053400000000, -0.0003591200000000, -0.0003904000000000 ] - [ -0.0000473800000000, -0.0002806700000000, 0.0008750800000000 ] - [ 0.0005276000000000, 0.0002711500000000, 0.0004580000000000 ] - [ -0.0003130500000000, -0.0002953900000000, 0.0007980200000000 ] - [ -0.0005284700000000, -0.0003393300000000, 0.0006614200000000 ] - [ -0.0000015600000000, -0.0004310300000000, -0.0006597800000000 ] - [ -0.0006357300000000, 0.0002551600000000, -0.0013728000000000 ] - [ -0.0003130500000000, 0.0002953900000000, 0.0007980200000000 ] - [ -0.0005284700000000, 0.0003393300000000, 0.0006614200000000 ] - [ -0.0000015600000000, 0.0004310300000000, -0.0006597800000000 ] - [ -0.0006357300000000, -0.0002551600000000, -0.0013728000000000 ] - [ 0.0004356200000000, 0.0003562200000000, -0.0004637500000000 ] - [ 0.0005053400000000, 0.0003591200000000, -0.0003904000000000 ] - [ -0.0000473800000000, 0.0002806700000000, 0.0008750800000000 ] - [ 0.0005276000000000, -0.0002711500000000, 0.0004580000000000 ] - [ 0.0002495000000000, 0.0000000000000000, -0.0006422700000000 ] - [ 0.0008666500000000, 0.0000000000000000, 0.0000348300000000 ] - [ 0.0004197900000000, 0.0000000000000000, 0.0006922500000000 ] - [ 0.0004453200000000, 0.0000000000000000, 0.0005004700000000 ] - [ -0.0005065600000000, 0.0000000000000000, 0.0000526400000000 ] - [ -0.0003031200000000, 0.0000000000000000, 0.0003756600000000 ] - [ -0.0003546100000000, 0.0000000000000000, -0.0003379300000000 ] - [ -0.0004786600000000, 0.0000000000000000, -0.0003902500000000 ] - [ -0.0866448400000000, 0.0000000000000000, -0.0605062700000000 ] - [ -0.0009198800000000, 0.0000000000000000, -0.0002714300000000 ] - [ -0.0009570000000000, 0.0000000000000000, 0.0002801000000000 ] - [ -0.0012988200000000, 0.0000000000000000, 0.0004480800000000 ] - [ 0.0005952200000000, 0.0000000000000000, 0.0000932900000000 ] - [ 0.0011010700000000, 0.0000000000000000, 0.0001352200000000 ] - [ 0.0010243400000000, 0.0000000000000000, 0.0001932900000000 ] - [ 0.0009440900000000, 0.0000000000000000, -0.0001982200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000344100000000, 0.0039691300000000, -0.0029897600000000 ] - [ 0.0010013800000000, -0.0004106600000000, 0.0004572800000000 ] - [ 0.0009265100000000, -0.0000068200000000, 0.0000345900000000 ] - [ 0.0006934700000000, -0.0000167800000000, -0.0006593100000000 ] - [ -0.0015548500000000, -0.0010449300000000, -0.0007965900000000 ] - [ -0.0002337900000000, 0.0005496200000000, -0.0000089000000000 ] - [ -0.0004889800000000, -0.0000368100000000, 0.0001922100000000 ] - [ -0.0006408100000000, -0.0000034600000000, 0.0002938800000000 ] - [ 0.0005046400000000, -0.0000296400000000, 0.0006929600000000 ] - [ 0.0006028300000000, 0.0000280600000000, 0.0006407700000000 ] - [ 0.0005740500000000, 0.0000665200000000, -0.0006616000000000 ] - [ 0.0005653800000000, -0.0000069100000000, -0.0006769600000000 ] - [ -0.0008076200000000, -0.0001105000000000, -0.0005734900000000 ] - [ -0.0004990200000000, 0.0000600900000000, -0.0006699700000000 ] - [ -0.0005039800000000, -0.0001971400000000, 0.0007940600000000 ] - [ -0.0005344300000000, 0.0001180500000000, 0.0006384500000000 ] - [ -0.0007681600000000, -0.0000699000000000, -0.0009351400000000 ] - [ -0.0010007000000000, -0.0001566100000000, -0.0006720200000000 ] - [ -0.0009719600000000, 0.0001376500000000, 0.0007497800000000 ] - [ -0.0008721900000000, 0.0001337200000000, 0.0007233400000000 ] - [ 0.0011696100000000, -0.0001698500000000, 0.0006725500000000 ] - [ 0.0008243800000000, -0.0002186600000000, 0.0007588200000000 ] - [ 0.0007232100000000, 0.0001212800000000, -0.0005345100000000 ] - [ 0.0009965800000000, 0.0001264300000000, -0.0007829800000000 ] - [ 0.0007079000000000, 0.0006402300000000, 0.0010559000000000 ] - [ 0.0014259700000000, -0.0000780700000000, 0.0007547300000000 ] - [ 0.0007955800000000, -0.0001247500000000, -0.0007326500000000 ] - [ 0.0009755700000000, -0.0001234600000000, -0.0007007000000000 ] - [ -0.0008859500000000, 0.0001291000000000, -0.0007153200000000 ] - [ -0.0008891000000000, 0.0001795200000000, -0.0008214300000000 ] - [ -0.0009762200000000, -0.0001528100000000, 0.0006627500000000 ] - [ -0.0008836900000000, -0.0001248300000000, 0.0007290800000000 ] - [ 0.0039459600000000, -0.0285733000000000, 0.0204410600000000 ] - [ -0.0000868100000000, 0.0002214500000000, -0.0000803900000000 ] - [ -0.0003239800000000, 0.0000653100000000, 0.0004739900000000 ] - [ -0.0001086300000000, 0.0000512200000000, 0.0000773900000000 ] - [ 0.0003118800000000, -0.0000590600000000, -0.0000528800000000 ] - [ 0.0001774200000000, -0.0000179500000000, 0.0001124100000000 ] - [ 0.0001257800000000, 0.0000329100000000, -0.0001321200000000 ] - [ 0.0002295800000000, -0.0000093400000000, -0.0000697000000000 ] - [ -0.0416231500000000, 0.0211839000000000, -0.0276142500000000 ] - [ 0.0004124400000000, 0.0003558900000000, 0.0002553100000000 ] - [ 0.0003419500000000, -0.0001524400000000, -0.0002588500000000 ] - [ 0.0003422300000000, -0.0005643000000000, -0.0002441800000000 ] - [ -0.0002780400000000, 0.0003372200000000, -0.0002037200000000 ] - [ -0.0001392600000000, 0.0003914900000000, -0.0003035400000000 ] - [ -0.0001925400000000, -0.0004239000000000, 0.0002005000000000 ] - [ -0.0001928100000000, -0.0003733100000000, 0.0002626900000000 ] - [ -0.0001940700000000, -0.0003703800000000, -0.0003294600000000 ] - [ -0.0001919500000000, -0.0003910700000000, -0.0002491600000000 ] - [ -0.0001905500000000, 0.0003368900000000, 0.0003813900000000 ] - [ -0.0001799400000000, 0.0003784000000000, 0.0002545100000000 ] - [ 0.0007385800000000, 0.0020321500000000, -0.0030459200000000 ] - [ 0.0001669000000000, -0.0003692000000000, 0.0002789800000000 ] - [ 0.0006092500000000, 0.0003335800000000, 0.0001079800000000 ] - [ 0.0006116200000000, 0.0004480900000000, -0.0004743400000000 ] - [ 0.0005606300000000, -0.0003190300000000, -0.0005997600000000 ] - [ 0.0005087700000000, -0.0003699800000000, -0.0005901800000000 ] - [ 0.0003720300000000, 0.0008710400000000, -0.0000836200000000 ] - [ 0.0004368300000000, 0.0003529700000000, 0.0005975400000000 ] - [ -0.0003785400000000, -0.0002915700000000, 0.0006467800000000 ] - [ -0.0006101500000000, -0.0003732200000000, 0.0005740200000000 ] - [ -0.0013828100000000, 0.0009875200000000, 0.0000837700000000 ] - [ -0.0013887500000000, -0.0000974700000000, -0.0010936900000000 ] - [ 0.0003334400000000, 0.0001532700000000, 0.0010135500000000 ] - [ -0.0006621100000000, 0.0003707300000000, 0.0005479700000000 ] - [ 0.0002902000000000, -0.0000707900000000, -0.0003028800000000 ] - [ -0.0001385700000000, -0.0006683300000000, -0.0006234100000000 ] - [ 0.0005386500000000, 0.0003202300000000, -0.0006270100000000 ] - [ 0.0004478300000000, 0.0003656400000000, -0.0005515100000000 ] - [ 0.0008203200000000, -0.0003581700000000, 0.0008799500000000 ] - [ 0.0001971500000000, -0.0003452500000000, 0.0005040100000000 ] - [ 0.0004736100000000, -0.0001429900000000, -0.0002416100000000 ] - [ 0.0004132400000000, 0.0000175900000000, -0.0004796200000000 ] - [ 0.0004681400000000, -0.0000168300000000, 0.0005080700000000 ] - [ 0.0003757100000000, -0.0000015300000000, 0.0004199400000000 ] - [ -0.0002068700000000, 0.0002578600000000, 0.0003254500000000 ] - [ -0.0008379900000000, 0.0000110300000000, 0.0004333300000000 ] - [ -0.0002969500000000, 0.0000849400000000, -0.0006104300000000 ] - [ -0.0004968600000000, -0.0000413500000000, -0.0004055000000000 ] - [ 0.0358518400000000, 0.0012725500000000, 0.0129180800000000 ] - [ -0.0012260200000000, -0.0000375100000000, -0.0002219500000000 ] - [ -0.0013484500000000, -0.0001126400000000, -0.0003286000000000 ] - [ -0.0012137100000000, -0.0000113700000000, 0.0003865700000000 ] - [ 0.0010340100000000, 0.0002206400000000, 0.0004748800000000 ] - [ 0.0008807300000000, -0.0000674700000000, 0.0001520000000000 ] - [ 0.0009393000000000, -0.0000054400000000, -0.0001704700000000 ] - [ 0.0009235100000000, 0.0000039200000000, -0.0002431900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013705500000000, -0.0039702700000000, 0.0034842000000000 ] - [ 0.0003742800000000, 0.0004078700000000, 0.0000051500000000 ] - [ 0.0004539900000000, 0.0000040700000000, -0.0004964800000000 ] - [ 0.0006755700000000, 0.0000198400000000, 0.0002056400000000 ] - [ 0.0001996700000000, 0.0010487800000000, 0.0003435400000000 ] - [ -0.0011433100000000, -0.0005457200000000, -0.0004415000000000 ] - [ -0.0009056600000000, 0.0000309700000000, 0.0002715300000000 ] - [ -0.0007376900000000, 0.0000064100000000, 0.0001626300000000 ] - [ 0.0006229800000000, 0.0000297500000000, 0.0006468700000000 ] - [ 0.0005223400000000, -0.0000276700000000, 0.0006986400000000 ] - [ 0.0005511000000000, -0.0000672400000000, -0.0006783900000000 ] - [ 0.0005611100000000, 0.0000066500000000, -0.0006610200000000 ] - [ -0.0003149500000000, 0.0001052900000000, -0.0007663900000000 ] - [ -0.0006262000000000, -0.0000597800000000, -0.0006705000000000 ] - [ -0.0006218300000000, 0.0001983000000000, 0.0005429400000000 ] - [ -0.0005947000000000, -0.0001172400000000, 0.0007000600000000 ] - [ -0.0010553800000000, -0.0001832000000000, -0.0005194000000000 ] - [ -0.0008229300000000, -0.0000974900000000, -0.0007832600000000 ] - [ -0.0008496300000000, 0.0001139800000000, 0.0007070200000000 ] - [ -0.0009516100000000, 0.0001182200000000, 0.0007335400000000 ] - [ 0.0006444100000000, -0.0000767100000000, 0.0007839000000000 ] - [ 0.0009960400000000, -0.0000332800000000, 0.0006983400000000 ] - [ 0.0011040300000000, 0.0001298400000000, -0.0009232000000000 ] - [ 0.0008262000000000, 0.0001250700000000, -0.0006749200000000 ] - [ 0.0010974500000000, -0.0003948100000000, 0.0003958400000000 ] - [ 0.0003927400000000, 0.0003320300000000, 0.0007013000000000 ] - [ 0.0010300800000000, -0.0001271000000000, -0.0007242900000000 ] - [ 0.0008477700000000, -0.0001278400000000, -0.0007561700000000 ] - [ -0.0009370300000000, 0.0001231500000000, -0.0007408800000000 ] - [ -0.0009350600000000, 0.0000736600000000, -0.0006360300000000 ] - [ -0.0008443700000000, -0.0000985200000000, 0.0007960300000000 ] - [ -0.0009404800000000, -0.0001271200000000, 0.0007277900000000 ] - [ -0.0042325500000000, 0.0284414400000000, -0.0202732600000000 ] - [ -0.0003212400000000, -0.0002225900000000, -0.0000729100000000 ] - [ -0.0000785900000000, -0.0000648500000000, -0.0003214100000000 ] - [ -0.0002931700000000, -0.0000510400000000, 0.0000753100000000 ] - [ 0.0000910500000000, 0.0000596300000000, 0.0002079000000000 ] - [ 0.0002268000000000, 0.0000186600000000, 0.0000411800000000 ] - [ 0.0002803100000000, -0.0000333800000000, -0.0000188600000000 ] - [ 0.0001718900000000, 0.0000092100000000, -0.0000827000000000 ] - [ 0.0426679800000000, -0.0225049800000000, 0.0296852300000000 ] - [ -0.0000225100000000, 0.0003954300000000, 0.0002718500000000 ] - [ 0.0000468600000000, -0.0006001600000000, -0.0002727000000000 ] - [ 0.0000469500000000, -0.0001930000000000, -0.0002841800000000 ] - [ -0.0001098900000000, 0.0004174200000000, -0.0003234100000000 ] - [ -0.0002508500000000, 0.0003613200000000, -0.0002238100000000 ] - [ -0.0001971900000000, -0.0003297700000000, 0.0003280200000000 ] - [ -0.0001964100000000, -0.0003815500000000, 0.0002650100000000 ] - [ -0.0001947200000000, -0.0003838800000000, -0.0001965900000000 ] - [ -0.0001983100000000, -0.0003617300000000, -0.0002772500000000 ] - [ -0.0002003500000000, 0.0004174200000000, 0.0001440400000000 ] - [ -0.0002091300000000, 0.0003766800000000, 0.0002729300000000 ] - [ -0.0002796400000000, -0.0027664800000000, 0.0035348900000000 ] - [ 0.0002224900000000, -0.0003827000000000, 0.0002488800000000 ] - [ -0.0002227200000000, 0.0004179100000000, -0.0006430800000000 ] - [ -0.0002205300000000, 0.0003083800000000, -0.0000573500000000 ] - [ 0.0004334200000000, -0.0003838800000000, -0.0005683600000000 ] - [ 0.0004928700000000, -0.0003334900000000, -0.0005814600000000 ] - [ 0.0006198900000000, -0.0001738200000000, 0.0012585500000000 ] - [ 0.0005598700000000, 0.0003494600000000, 0.0005678400000000 ] - [ -0.0006164700000000, -0.0004125300000000, 0.0005167300000000 ] - [ -0.0003859300000000, -0.0003293400000000, 0.0005942800000000 ] - [ 0.0003857000000000, -0.0002911400000000, -0.0012604200000000 ] - [ 0.0003849100000000, 0.0007912900000000, -0.0000769000000000 ] - [ -0.0013172200000000, 0.0005563400000000, 0.0001454900000000 ] - [ -0.0003341100000000, 0.0003317900000000, 0.0006225600000000 ] - [ -0.0012794000000000, -0.0006201300000000, -0.0008658600000000 ] - [ -0.0008579600000000, -0.0000285700000000, -0.0005437600000000 ] - [ 0.0004557200000000, 0.0003825600000000, -0.0005391700000000 ] - [ 0.0005516400000000, 0.0003373400000000, -0.0006166400000000 ] - [ 0.0001718000000000, -0.0003463500000000, 0.0002821200000000 ] - [ 0.0007990000000000, -0.0003572000000000, 0.0006576100000000 ] - [ 0.0003486100000000, 0.0001443900000000, -0.0006284200000000 ] - [ 0.0004099000000000, -0.0000167600000000, -0.0003855100000000 ] - [ 0.0003533600000000, 0.0000155500000000, 0.0003528300000000 ] - [ 0.0004516700000000, 0.0000012300000000, 0.0004467600000000 ] - [ -0.0006088600000000, -0.0002551500000000, 0.0005424100000000 ] - [ 0.0000169900000000, -0.0000132100000000, 0.0004309100000000 ] - [ -0.0005304200000000, -0.0000857900000000, -0.0002509600000000 ] - [ -0.0003265600000000, 0.0000420100000000, -0.0004598700000000 ] - [ -0.0385982200000000, 0.0009190000000000, -0.0152267900000000 ] - [ -0.0006540300000000, 0.0000397000000000, -0.0002566900000000 ] - [ -0.0005313300000000, 0.0001133800000000, 0.0008159900000000 ] - [ -0.0006698000000000, 0.0000102400000000, 0.0000912100000000 ] - [ 0.0008468100000000, -0.0002237200000000, -0.0000038300000000 ] - [ 0.0010033900000000, 0.0000657900000000, 0.0003231900000000 ] - [ 0.0009454300000000, 0.0000080400000000, -0.0003111400000000 ] - [ 0.0009632900000000, -0.0000043300000000, -0.0002329100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021012100000000, -0.0004123200000000, -0.0007024800000000 ] - [ 0.0004767500000000, -0.0001281000000000, 0.0002318600000000 ] - [ 0.0007466000000000, -0.0000626100000000, -0.0001123300000000 ] - [ 0.0010527600000000, -0.0009673700000000, -0.0000850900000000 ] - [ -0.0009590900000000, 0.0004499000000000, 0.0003718300000000 ] - [ -0.0007869700000000, 0.0001112100000000, -0.0003491400000000 ] - [ -0.0005050500000000, 0.0010818200000000, 0.0001008000000000 ] - [ -0.0007517700000000, 0.0000592300000000, 0.0002215400000000 ] - [ 0.0005623500000000, -0.0000025800000000, 0.0006350200000000 ] - [ 0.0005692400000000, -0.0000244700000000, 0.0006259400000000 ] - [ 0.0005987700000000, 0.0000230300000000, -0.0006946700000000 ] - [ 0.0005597500000000, -0.0000103900000000, -0.0006829400000000 ] - [ -0.0006159300000000, 0.0006036700000000, -0.0008417900000000 ] - [ -0.0005831500000000, 0.0000039000000000, -0.0006513200000000 ] - [ -0.0006129200000000, 0.0000476300000000, 0.0006893500000000 ] - [ -0.0004668400000000, 0.0000778100000000, 0.0007128100000000 ] - [ -0.0009324000000000, -0.0001564600000000, -0.0006662500000000 ] - [ -0.0009388900000000, -0.0002110900000000, -0.0008236400000000 ] - [ -0.0009024600000000, 0.0000946100000000, 0.0008035000000000 ] - [ -0.0009159900000000, 0.0001157300000000, 0.0007302300000000 ] - [ 0.0012363100000000, -0.0000375000000000, 0.0007894700000000 ] - [ 0.0009493700000000, -0.0001128400000000, 0.0007310800000000 ] - [ 0.0006885900000000, 0.0002360300000000, -0.0007761300000000 ] - [ 0.0009734800000000, 0.0001298500000000, -0.0006891200000000 ] - [ 0.0018403000000000, 0.0006279700000000, 0.0013026600000000 ] - [ 0.0008584400000000, 0.0002014800000000, 0.0007078800000000 ] - [ 0.0009882000000000, -0.0000223400000000, -0.0007412400000000 ] - [ 0.0008696500000000, -0.0000934200000000, -0.0007372800000000 ] - [ -0.0009000100000000, 0.0001268100000000, -0.0007334800000000 ] - [ -0.0009733600000000, 0.0001709800000000, -0.0008514500000000 ] - [ -0.0010552400000000, -0.0001792700000000, 0.0005409300000000 ] - [ -0.0008753600000000, -0.0001553300000000, 0.0007343900000000 ] - [ 0.0015648400000000, -0.0003414600000000, 0.0007705300000000 ] - [ -0.0002196200000000, -0.0000672800000000, -0.0000785900000000 ] - [ -0.0002050600000000, -0.0001726300000000, 0.0004214500000000 ] - [ -0.0002392500000000, 0.0000253600000000, 0.0000621700000000 ] - [ 0.0001885100000000, 0.0000192900000000, 0.0000872600000000 ] - [ 0.0001864800000000, 0.0000298700000000, 0.0001061300000000 ] - [ 0.0001764100000000, 0.0000726500000000, -0.0001184800000000 ] - [ 0.0002145700000000, 0.0000251500000000, -0.0000716600000000 ] - [ 0.0213687200000000, -0.2609170600000000, 0.1554316800000000 ] - [ 0.0001754200000000, 0.0003698700000000, 0.0002488100000000 ] - [ 0.0003816400000000, -0.0002837700000000, -0.0002225700000000 ] - [ -0.0000282300000000, -0.0002863900000000, -0.0002065200000000 ] - [ -0.0001554700000000, 0.0003931500000000, -0.0002951100000000 ] - [ -0.0002103600000000, 0.0003921700000000, -0.0002834500000000 ] - [ -0.0002428600000000, -0.0003295400000000, 0.0001276400000000 ] - [ -0.0001914600000000, -0.0003706100000000, 0.0002490500000000 ] - [ -0.0001884900000000, -0.0003655100000000, -0.0002696900000000 ] - [ -0.0002100300000000, -0.0003499700000000, -0.0003131000000000 ] - [ -0.0001550700000000, 0.0004357100000000, 0.0002099500000000 ] - [ -0.0001964700000000, 0.0003865200000000, 0.0002492900000000 ] - [ -0.0021881700000000, 0.0237753300000000, -0.0192142400000000 ] - [ 0.0001885600000000, -0.0003860600000000, 0.0002715000000000 ] - [ 0.0002671200000000, 0.0002015400000000, -0.0002712400000000 ] - [ 0.0001531000000000, 0.0002040600000000, -0.0001290400000000 ] - [ 0.0005826800000000, -0.0003315600000000, -0.0005533300000000 ] - [ 0.0002223400000000, -0.0003442800000000, -0.0003415500000000 ] - [ 0.0005490700000000, -0.0002163800000000, 0.0009113900000000 ] - [ 0.0005261200000000, 0.0003503700000000, 0.0006108400000000 ] - [ -0.0003085600000000, -0.0009753700000000, 0.0000671500000000 ] - [ -0.0005014300000000, -0.0003876200000000, 0.0005675200000000 ] - [ -0.0005411900000000, 0.0009345600000000, -0.0007741500000000 ] - [ -0.0005249600000000, 0.0006313200000000, -0.0006204500000000 ] - [ -0.0010858000000000, 0.0008472100000000, 0.0018977300000000 ] - [ -0.0004967300000000, 0.0003831000000000, 0.0005735200000000 ] - [ -0.0004284000000000, -0.0006181600000000, -0.0006313000000000 ] - [ -0.0004698000000000, -0.0005506800000000, -0.0005649000000000 ] - [ 0.0004920800000000, 0.0003368300000000, -0.0005878000000000 ] - [ 0.0005345300000000, 0.0003539000000000, -0.0006105300000000 ] - [ 0.0005052800000000, -0.0000636200000000, 0.0004783900000000 ] - [ 0.0005259100000000, -0.0003500200000000, 0.0005752700000000 ] - [ 0.0003153500000000, 0.0000677200000000, -0.0004090200000000 ] - [ 0.0004672200000000, 0.0000509300000000, -0.0003003200000000 ] - [ 0.0004313200000000, 0.0002398700000000, 0.0006407600000000 ] - [ 0.0003944600000000, 0.0000420500000000, 0.0004224900000000 ] - [ -0.0009444900000000, -0.0004847700000000, 0.0000365600000000 ] - [ -0.0003492700000000, -0.0000708200000000, 0.0004352100000000 ] - [ -0.0002844800000000, -0.0001447800000000, -0.0003810900000000 ] - [ -0.0004926300000000, -0.0002107500000000, -0.0004698500000000 ] - [ -0.0226450000000000, 0.2366495600000000, -0.1375693900000000 ] - [ -0.0008995400000000, 0.0000711700000000, -0.0002448400000000 ] - [ -0.0011406900000000, 0.0001362300000000, -0.0000444700000000 ] - [ -0.0009039600000000, 0.0001517800000000, 0.0001023400000000 ] - [ 0.0008905000000000, -0.0000838400000000, 0.0002267900000000 ] - [ 0.0009779900000000, -0.0000585600000000, 0.0003005100000000 ] - [ 0.0009350500000000, -0.0003664200000000, -0.0000587800000000 ] - [ 0.0009358600000000, -0.0000349300000000, -0.0002373600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006826600000000, 0.0004469200000000, 0.0010819500000000 ] - [ 0.0008990500000000, 0.0001312800000000, 0.0002241600000000 ] - [ 0.0006340000000000, 0.0000595900000000, -0.0003438700000000 ] - [ 0.0003390700000000, 0.0009545800000000, -0.0003793400000000 ] - [ -0.0004226000000000, -0.0004547300000000, -0.0008298300000000 ] - [ -0.0005895200000000, -0.0001155400000000, -0.0001123800000000 ] - [ -0.0008640500000000, -0.0010719600000000, 0.0003500800000000 ] - [ -0.0006296400000000, -0.0000567000000000, 0.0002374100000000 ] - [ 0.0005633700000000, 0.0000024000000000, 0.0007021900000000 ] - [ 0.0005564300000000, 0.0000238700000000, 0.0007099700000000 ] - [ 0.0005284800000000, -0.0000220100000000, -0.0006440000000000 ] - [ 0.0005667900000000, 0.0000101200000000, -0.0006558700000000 ] - [ -0.0005118000000000, -0.0005961300000000, -0.0004952200000000 ] - [ -0.0005426900000000, -0.0000040900000000, -0.0006838000000000 ] - [ -0.0005135400000000, -0.0000482900000000, 0.0006503900000000 ] - [ -0.0006582300000000, -0.0000778600000000, 0.0006286800000000 ] - [ -0.0008886100000000, -0.0000970300000000, -0.0007909700000000 ] - [ -0.0008826600000000, -0.0000429800000000, -0.0006337800000000 ] - [ -0.0009202200000000, 0.0001580700000000, 0.0006533700000000 ] - [ -0.0009054400000000, 0.0001364500000000, 0.0007268800000000 ] - [ 0.0005869800000000, -0.0002081500000000, 0.0006666000000000 ] - [ 0.0008726700000000, -0.0001418800000000, 0.0007254200000000 ] - [ 0.0011289800000000, 0.0000178200000000, -0.0006802800000000 ] - [ 0.0008501500000000, 0.0001211900000000, -0.0007675900000000 ] - [ -0.0000078300000000, -0.0003794700000000, 0.0001624700000000 ] - [ 0.0009647500000000, 0.0000522200000000, 0.0007488400000000 ] - [ 0.0008315700000000, -0.0002307900000000, -0.0007154300000000 ] - [ 0.0009534500000000, -0.0001578000000000, -0.0007198900000000 ] - [ -0.0009212900000000, 0.0001263600000000, -0.0007235000000000 ] - [ -0.0008474400000000, 0.0000831800000000, -0.0006053900000000 ] - [ -0.0007693700000000, -0.0000746000000000, 0.0009120900000000 ] - [ -0.0009456400000000, -0.0000978100000000, 0.0007227700000000 ] - [ -0.0020387400000000, 0.0004752700000000, -0.0010503200000000 ] - [ -0.0001893400000000, 0.0000669400000000, -0.0000754300000000 ] - [ -0.0002073600000000, 0.0001724800000000, -0.0002657000000000 ] - [ -0.0001671200000000, -0.0000257800000000, 0.0000903500000000 ] - [ 0.0002195100000000, -0.0000196200000000, 0.0000648000000000 ] - [ 0.0002219400000000, -0.0000306500000000, 0.0000473300000000 ] - [ 0.0002297200000000, -0.0000722700000000, -0.0000369300000000 ] - [ 0.0001929200000000, -0.0000251200000000, -0.0000814700000000 ] - [ -0.0223598500000000, 0.2719308000000000, -0.1660918500000000 ] - [ 0.0002138900000000, 0.0003795100000000, 0.0002832400000000 ] - [ 0.0000078700000000, -0.0004655600000000, -0.0003072600000000 ] - [ 0.0004184400000000, -0.0004660400000000, -0.0003209000000000 ] - [ -0.0002337300000000, 0.0003580500000000, -0.0002347300000000 ] - [ -0.0001789600000000, 0.0003578400000000, -0.0002474300000000 ] - [ -0.0001468000000000, -0.0004226300000000, 0.0003991300000000 ] - [ -0.0001976900000000, -0.0003816100000000, 0.0002793600000000 ] - [ -0.0002000400000000, -0.0003863000000000, -0.0002608400000000 ] - [ -0.0001794800000000, -0.0004003000000000, -0.0002185300000000 ] - [ -0.0002336400000000, 0.0003160700000000, 0.0003189400000000 ] - [ -0.0001927200000000, 0.0003652100000000, 0.0002793800000000 ] - [ 0.0026104200000000, -0.0252070900000000, 0.0199395100000000 ] - [ 0.0002010200000000, -0.0003636700000000, 0.0002602900000000 ] - [ 0.0001249700000000, 0.0005473100000000, -0.0002568000000000 ] - [ 0.0002362100000000, 0.0005477700000000, -0.0003963900000000 ] - [ 0.0004168500000000, -0.0003708700000000, -0.0006155800000000 ] - [ 0.0007704600000000, -0.0003584700000000, -0.0008237400000000 ] - [ 0.0004497600000000, 0.0009199800000000, 0.0002575700000000 ] - [ 0.0004708000000000, 0.0003518200000000, 0.0005594100000000 ] - [ -0.0006924200000000, 0.0002826700000000, 0.0011119200000000 ] - [ -0.0004964000000000, -0.0003155600000000, 0.0006001000000000 ] - [ -0.0004598400000000, -0.0002180600000000, -0.0003962800000000 ] - [ -0.0004698300000000, 0.0000739000000000, -0.0005458400000000 ] - [ 0.0000752500000000, -0.0001472100000000, -0.0006618100000000 ] - [ -0.0005011500000000, 0.0003194500000000, 0.0005953900000000 ] - [ -0.0005727400000000, -0.0000889500000000, -0.0005383800000000 ] - [ -0.0005267600000000, -0.0001523000000000, -0.0006036300000000 ] - [ 0.0005067900000000, 0.0003651100000000, -0.0005801300000000 ] - [ 0.0004615800000000, 0.0003480100000000, -0.0005563200000000 ] - [ 0.0004929500000000, -0.0006372600000000, 0.0006940200000000 ] - [ 0.0004713700000000, -0.0003529800000000, 0.0005939400000000 ] - [ 0.0005111900000000, -0.0000686000000000, -0.0004570400000000 ] - [ 0.0003571600000000, -0.0000513500000000, -0.0005621300000000 ] - [ 0.0003986100000000, -0.0002376100000000, 0.0002341500000000 ] - [ 0.0004378300000000, -0.0000422900000000, 0.0004481100000000 ] - [ 0.0001157600000000, 0.0004848600000000, 0.0008241900000000 ] - [ -0.0004819500000000, 0.0000721800000000, 0.0004333300000000 ] - [ -0.0005411500000000, 0.0001436200000000, -0.0004873700000000 ] - [ -0.0003449300000000, 0.0002098400000000, -0.0004023200000000 ] - [ 0.0221363100000000, -0.2464101500000000, 0.1482092200000000 ] - [ -0.0009866200000000, -0.0000711800000000, -0.0002279400000000 ] - [ -0.0007449700000000, -0.0001360100000000, 0.0005151500000000 ] - [ -0.0009881300000000, -0.0001504700000000, 0.0003670300000000 ] - [ 0.0009976600000000, 0.0000838800000000, 0.0002450000000000 ] - [ 0.0009092000000000, 0.0000584800000000, 0.0001729200000000 ] - [ 0.0009510500000000, 0.0003642900000000, -0.0004080200000000 ] - [ 0.0009523800000000, 0.0000343300000000, -0.0002348100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003207600000000, -0.0038085600000000, 0.0047034900000000 ] - [ 0.0007733700000000, -0.0001013200000000, 0.0004873400000000 ] - [ 0.0008611300000000, 0.0000103400000000, -0.0002235800000000 ] - [ -0.0001869400000000, 0.0012040200000000, 0.0006940900000000 ] - [ -0.0007311100000000, 0.0008507100000000, 0.0005189100000000 ] - [ -0.0006649400000000, 0.0001229200000000, 0.0001441100000000 ] - [ -0.0020149800000000, -0.0016146200000000, 0.0011334300000000 ] - [ -0.0005226000000000, -0.0000068600000000, 0.0002183400000000 ] - [ 0.0005806700000000, -0.0000082500000000, 0.0007467000000000 ] - [ 0.0005492300000000, 0.0000434100000000, 0.0007664000000000 ] - [ 0.0005346900000000, -0.0001569500000000, -0.0005751100000000 ] - [ 0.0005805000000000, 0.0000004900000000, -0.0005876100000000 ] - [ -0.0004473300000000, -0.0002422100000000, -0.0012233300000000 ] - [ -0.0005324900000000, 0.0000043200000000, -0.0008018900000000 ] - [ -0.0005696100000000, 0.0000960100000000, 0.0004418600000000 ] - [ -0.0007112900000000, -0.0000531600000000, 0.0004240200000000 ] - [ -0.0009809500000000, -0.0001524300000000, -0.0006077300000000 ] - [ -0.0007970200000000, -0.0002132200000000, -0.0006185900000000 ] - [ -0.0008571300000000, 0.0001326100000000, 0.0006925700000000 ] - [ -0.0009659400000000, 0.0001274300000000, 0.0007384400000000 ] - [ 0.0012481800000000, -0.0004396900000000, 0.0009939100000000 ] - [ 0.0008369200000000, -0.0000931200000000, 0.0007382800000000 ] - [ 0.0014629300000000, -0.0001119500000000, -0.0008256200000000 ] - [ 0.0007831600000000, 0.0001312500000000, -0.0007838300000000 ] - [ 0.0016776600000000, 0.0010764000000000, 0.0005752900000000 ] - [ 0.0006069500000000, 0.0002530400000000, 0.0007261600000000 ] - [ 0.0010077700000000, -0.0001779100000000, -0.0007527100000000 ] - [ 0.0009439500000000, -0.0001659000000000, -0.0006853700000000 ] - [ -0.0009075300000000, 0.0001163400000000, -0.0007049100000000 ] - [ -0.0009660200000000, 0.0000993100000000, -0.0007024500000000 ] - [ -0.0007008000000000, -0.0000375700000000, 0.0010996100000000 ] - [ -0.0010190200000000, -0.0000898200000000, 0.0007274600000000 ] - [ -0.0022740900000000, -0.0097078200000000, 0.0087264800000000 ] - [ -0.0003135500000000, -0.0000818500000000, -0.0000544000000000 ] - [ 0.0001134900000000, 0.0003111300000000, 0.0002832400000000 ] - [ -0.0001989800000000, -0.0000639000000000, 0.0001253700000000 ] - [ 0.0001699800000000, 0.0000073700000000, 0.0001677100000000 ] - [ 0.0002329300000000, 0.0001033200000000, 0.0001544300000000 ] - [ 0.0003864300000000, -0.0001094800000000, 0.0001337600000000 ] - [ 0.0001390400000000, -0.0000238800000000, -0.0000806800000000 ] - [ -0.0289635300000000, 0.1648758400000000, -0.1595840900000000 ] - [ 0.0001848800000000, 0.0003586100000000, 0.0001206000000000 ] - [ 0.0001741000000000, -0.0003188700000000, -0.0004601700000000 ] - [ 0.0001854700000000, -0.0003331000000000, -0.0004592900000000 ] - [ -0.0001326700000000, 0.0004065600000000, -0.0002158800000000 ] - [ -0.0002334200000000, 0.0003938600000000, -0.0001799600000000 ] - [ -0.0001296000000000, -0.0002404200000000, 0.0006684400000000 ] - [ -0.0001919500000000, -0.0003616200000000, 0.0003608900000000 ] - [ -0.0002598600000000, -0.0003804100000000, -0.0001229600000000 ] - [ -0.0001790200000000, -0.0004226500000000, -0.0000990100000000 ] - [ -0.0003108500000000, 0.0003239800000000, 0.0001686900000000 ] - [ -0.0001839400000000, 0.0003617800000000, 0.0003461900000000 ] - [ -0.0031514500000000, 0.0193905800000000, -0.0112274800000000 ] - [ 0.0002081700000000, -0.0003814800000000, 0.0001514300000000 ] - [ 0.0004020600000000, 0.0002423200000000, -0.0006247600000000 ] - [ -0.0001816200000000, 0.0003821800000000, -0.0006228600000000 ] - [ 0.0003303300000000, -0.0003502400000000, -0.0007510300000000 ] - [ 0.0009992800000000, -0.0003946300000000, -0.0011160000000000 ] - [ 0.0003370300000000, -0.0002975200000000, 0.0010740500000000 ] - [ 0.0004991900000000, 0.0003481200000000, 0.0004467800000000 ] - [ -0.0005169400000000, -0.0004211800000000, 0.0009023300000000 ] - [ -0.0005114200000000, -0.0003553700000000, 0.0006885600000000 ] - [ 0.0008143000000000, -0.0003983300000000, -0.0004350200000000 ] - [ -0.0009741200000000, 0.0001545900000000, -0.0005593300000000 ] - [ 0.0006118700000000, 0.0015299500000000, -0.0009290200000000 ] - [ -0.0004957300000000, 0.0003603200000000, 0.0007372700000000 ] - [ -0.0004358600000000, -0.0003704700000000, -0.0005887900000000 ] - [ -0.0006671400000000, -0.0003164300000000, -0.0006051100000000 ] - [ 0.0004238700000000, 0.0003427500000000, -0.0006650800000000 ] - [ 0.0006224200000000, 0.0003603400000000, -0.0007190200000000 ] - [ 0.0003898900000000, -0.0005020700000000, -0.0003725300000000 ] - [ 0.0005248600000000, -0.0003424200000000, 0.0003816500000000 ] - [ 0.0004765000000000, 0.0001265400000000, -0.0006677000000000 ] - [ 0.0004040100000000, 0.0000432700000000, -0.0006191100000000 ] - [ 0.0003297500000000, -0.0001780800000000, -0.0000326900000000 ] - [ 0.0004768800000000, -0.0000286200000000, 0.0004194100000000 ] - [ -0.0010957300000000, -0.0001757600000000, 0.0004572200000000 ] - [ -0.0002656200000000, -0.0001532400000000, 0.0004337200000000 ] - [ -0.0007764600000000, 0.0001052900000000, -0.0002939700000000 ] - [ 0.0000278200000000, 0.0002793000000000, -0.0003378800000000 ] - [ 0.0332280300000000, -0.1709784600000000, 0.1586457500000000 ] - [ -0.0009376500000000, 0.0000786300000000, -0.0001359400000000 ] - [ -0.0012661800000000, -0.0001103300000000, 0.0003440200000000 ] - [ -0.0004749300000000, -0.0001485300000000, 0.0003979600000000 ] - [ 0.0009727100000000, -0.0001202700000000, -0.0000308700000000 ] - [ 0.0009774800000000, -0.0000512100000000, -0.0000016300000000 ] - [ 0.0009841200000000, 0.0004216000000000, -0.0009185900000000 ] - [ 0.0009447400000000, 0.0000153800000000, -0.0003027700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016760600000000, 0.0037538100000000, -0.0042223100000000 ] - [ 0.0005977800000000, 0.0001040500000000, -0.0000341000000000 ] - [ 0.0005182300000000, -0.0000143600000000, -0.0002321100000000 ] - [ 0.0015835000000000, -0.0012280100000000, -0.0011638800000000 ] - [ -0.0006467400000000, -0.0008453800000000, -0.0009816900000000 ] - [ -0.0007147500000000, -0.0001260700000000, -0.0006090700000000 ] - [ 0.0006622500000000, 0.0016517200000000, -0.0006925700000000 ] - [ -0.0008605100000000, 0.0000108000000000, 0.0002405800000000 ] - [ 0.0005453300000000, 0.0000074300000000, 0.0005910600000000 ] - [ 0.0005766100000000, -0.0000439500000000, 0.0005691300000000 ] - [ 0.0005926700000000, 0.0001560000000000, -0.0007643200000000 ] - [ 0.0005458800000000, -0.0000006100000000, -0.0007516400000000 ] - [ -0.0006801100000000, 0.0002404100000000, -0.0001085900000000 ] - [ -0.0005942500000000, -0.0000040900000000, -0.0005333600000000 ] - [ -0.0005565500000000, -0.0000963600000000, 0.0008989700000000 ] - [ -0.0004132100000000, 0.0000541000000000, 0.0009201300000000 ] - [ -0.0008412100000000, -0.0001003200000000, -0.0008496800000000 ] - [ -0.0010226800000000, -0.0000430100000000, -0.0008401300000000 ] - [ -0.0009658600000000, 0.0001194100000000, 0.0007642300000000 ] - [ -0.0008555600000000, 0.0001246300000000, 0.0007189600000000 ] - [ 0.0005719000000000, 0.0001923100000000, 0.0004654600000000 ] - [ 0.0009854700000000, -0.0001603100000000, 0.0007184100000000 ] - [ 0.0003502600000000, 0.0003677500000000, -0.0006295900000000 ] - [ 0.0010417200000000, 0.0001197300000000, -0.0006722700000000 ] - [ 0.0001427800000000, -0.0008297200000000, 0.0008728200000000 ] - [ 0.0012152900000000, 0.0000004300000000, 0.0007310800000000 ] - [ 0.0008131100000000, -0.0000729900000000, -0.0007038300000000 ] - [ 0.0008781800000000, -0.0000840500000000, -0.0007726700000000 ] - [ -0.0009138400000000, 0.0001362400000000, -0.0007524200000000 ] - [ -0.0008567400000000, 0.0001550400000000, -0.0007572800000000 ] - [ -0.0011249100000000, -0.0002167800000000, 0.0003532000000000 ] - [ -0.0008013800000000, -0.0001633600000000, 0.0007299500000000 ] - [ 0.0019626800000000, 0.0095248900000000, -0.0088768200000000 ] - [ -0.0000947900000000, 0.0000819900000000, -0.0000996200000000 ] - [ -0.0005272300000000, -0.0003159100000000, -0.0001276000000000 ] - [ -0.0002079200000000, 0.0000643300000000, 0.0000263800000000 ] - [ 0.0002371600000000, -0.0000078900000000, -0.0000156200000000 ] - [ 0.0001754300000000, -0.0001017700000000, -0.0000018600000000 ] - [ 0.0000172300000000, 0.0001114400000000, -0.0002906800000000 ] - [ 0.0002679000000000, 0.0000245100000000, -0.0000719400000000 ] - [ 0.0283578900000000, -0.1565072700000000, 0.1576315300000000 ] - [ 0.0002040000000000, 0.0003912200000000, 0.0004118000000000 ] - [ 0.0002174800000000, -0.0004305300000000, -0.0000680000000000 ] - [ 0.0002018900000000, -0.0004182900000000, -0.0000658900000000 ] - [ -0.0002553000000000, 0.0003457500000000, -0.0003140700000000 ] - [ -0.0001564300000000, 0.0003569300000000, -0.0003509300000000 ] - [ -0.0002601900000000, -0.0005106100000000, -0.0001413100000000 ] - [ -0.0001973000000000, -0.0003910700000000, 0.0001666400000000 ] - [ -0.0001299200000000, -0.0003711900000000, -0.0004069800000000 ] - [ -0.0002098600000000, -0.0003272000000000, -0.0004329000000000 ] - [ -0.0000764800000000, 0.0004317400000000, 0.0003585900000000 ] - [ -0.0002053200000000, 0.0003910100000000, 0.0001818100000000 ] - [ 0.0034325800000000, -0.0197607300000000, 0.0116151800000000 ] - [ 0.0001807000000000, -0.0003685200000000, 0.0003806900000000 ] - [ -0.0000115700000000, 0.0005068800000000, 0.0000983900000000 ] - [ 0.0005721200000000, 0.0003680900000000, 0.0001015100000000 ] - [ 0.0006703800000000, -0.0003517000000000, -0.0004164100000000 ] - [ -0.0000114900000000, -0.0003064300000000, -0.0000446500000000 ] - [ 0.0006596800000000, 0.0009881400000000, 0.0001123500000000 ] - [ 0.0004984000000000, 0.0003544400000000, 0.0007235700000000 ] - [ -0.0004801400000000, -0.0002864000000000, 0.0002641700000000 ] - [ -0.0004854000000000, -0.0003480100000000, 0.0004776700000000 ] - [ -0.0018072200000000, 0.0010974100000000, -0.0007251800000000 ] - [ -0.0000189000000000, 0.0005508100000000, -0.0006035800000000 ] - [ -0.0016410500000000, -0.0008818500000000, 0.0021569700000000 ] - [ -0.0005010800000000, 0.0003429200000000, 0.0004301700000000 ] - [ -0.0005652000000000, -0.0003349600000000, -0.0005809800000000 ] - [ -0.0003245400000000, -0.0003892700000000, -0.0005622200000000 ] - [ 0.0005744000000000, 0.0003593100000000, -0.0005012700000000 ] - [ 0.0003731100000000, 0.0003414200000000, -0.0004464300000000 ] - [ 0.0006080700000000, -0.0002038900000000, 0.0015316600000000 ] - [ 0.0004727800000000, -0.0003603700000000, 0.0007880300000000 ] - [ 0.0003520800000000, -0.0001249900000000, -0.0001987900000000 ] - [ 0.0004227800000000, -0.0000422600000000, -0.0002415500000000 ] - [ 0.0005018300000000, 0.0001827900000000, 0.0009084200000000 ] - [ 0.0003557600000000, 0.0000292700000000, 0.0004521200000000 ] - [ 0.0002743300000000, 0.0001743300000000, 0.0004071700000000 ] - [ -0.0005638600000000, 0.0001535800000000, 0.0004354800000000 ] - [ -0.0000482300000000, -0.0001084100000000, -0.0005765100000000 ] - [ -0.0008700100000000, -0.0002848600000000, -0.0005358000000000 ] - [ -0.0340742900000000, 0.1632912500000000, -0.1565917300000000 ] - [ -0.0009481600000000, -0.0000784400000000, -0.0003362500000000 ] - [ -0.0006204700000000, 0.0001133200000000, 0.0001228900000000 ] - [ -0.0014196400000000, 0.0001525700000000, 0.0000682600000000 ] - [ 0.0009160900000000, 0.0001188700000000, 0.0005028400000000 ] - [ 0.0009101500000000, 0.0000498200000000, 0.0004766600000000 ] - [ 0.0009017100000000, -0.0004344400000000, 0.0004595100000000 ] - [ 0.0009446600000000, -0.0000162400000000, -0.0001673900000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011034900000000, 0.0001608400000000, 0.0007658400000000 ] - [ 0.0001223300000000, -0.0001921300000000, 0.0002187200000000 ] - [ 0.0066140000000000, 0.0025258600000000, -0.0028127200000000 ] - [ -0.0010056600000000, 0.0002021500000000, -0.0007914700000000 ] - [ -0.0003487300000000, -0.0001473400000000, 0.0003791400000000 ] - [ -0.0011846700000000, 0.0001960900000000, -0.0002965300000000 ] - [ -0.0020958900000000, -0.0002833500000000, -0.0000313200000000 ] - [ 0.0046402900000000, -0.0015780300000000, -0.0017194400000000 ] - [ 0.0010157300000000, 0.0007099700000000, 0.0011997700000000 ] - [ 0.0003758200000000, -0.0000073000000000, 0.0006494800000000 ] - [ 0.0005032300000000, -0.0002121900000000, -0.0003656300000000 ] - [ 0.0002475900000000, -0.0003153000000000, -0.0013001600000000 ] - [ -0.0004598900000000, -0.0000527500000000, -0.0007861000000000 ] - [ -0.0006448400000000, 0.0002297000000000, -0.0004253000000000 ] - [ -0.0004705000000000, 0.0002473000000000, 0.0008775600000000 ] - [ -0.0007328400000000, -0.0000200800000000, 0.0006580000000000 ] - [ -0.0005194300000000, -0.0001894600000000, -0.0007104700000000 ] - [ -0.0011558700000000, -0.0000639100000000, -0.0006966700000000 ] - [ -0.0005915400000000, 0.0006942900000000, 0.0006007700000000 ] - [ -0.0004322300000000, -0.0002064500000000, 0.0014198400000000 ] - [ 0.0007565200000000, -0.0001427600000000, 0.0007551300000000 ] - [ 0.0010884800000000, -0.0000938200000000, 0.0007223800000000 ] - [ 0.0010847400000000, -0.0000423300000000, -0.0013595000000000 ] - [ 0.0003883100000000, 0.0003235000000000, -0.0007946800000000 ] - [ 0.0007017300000000, 0.0001350900000000, 0.0007602800000000 ] - [ 0.0011505700000000, 0.0001207400000000, 0.0008211700000000 ] - [ 0.0009150400000000, -0.0000723200000000, -0.0010136800000000 ] - [ 0.0007807400000000, -0.0000908600000000, -0.0007092400000000 ] - [ -0.0007331500000000, 0.0001715500000000, -0.0009078300000000 ] - [ -0.0010532400000000, 0.0001138200000000, -0.0006990600000000 ] - [ -0.0024968700000000, 0.0011849600000000, 0.0009069600000000 ] - [ -0.0019076400000000, -0.0002317100000000, 0.0004895800000000 ] - [ -0.0003588700000000, 0.0000084200000000, -0.0000113400000000 ] - [ -0.0000213500000000, 0.0000101100000000, -0.0000834200000000 ] - [ -0.0002652800000000, 0.0003354700000000, -0.0004689500000000 ] - [ -0.0004238100000000, -0.0002020000000000, 0.0001027500000000 ] - [ 0.0004251600000000, 0.0002358100000000, -0.0001116300000000 ] - [ 0.0000562500000000, -0.0000469600000000, 0.0001061900000000 ] - [ 0.0000428000000000, -0.0013474300000000, -0.0002173300000000 ] - [ 0.0003181700000000, -0.0006654400000000, 0.0004197300000000 ] - [ 0.0002587300000000, 0.0004625700000000, 0.0000899000000000 ] - [ 0.0002017900000000, 0.0001049900000000, 0.0007663200000000 ] - [ 0.0000682400000000, -0.0004280100000000, -0.0001018400000000 ] - [ 0.0001323600000000, -0.0004081600000000, -0.0002605600000000 ] - [ -0.0000739700000000, 0.0001876500000000, -0.0002799800000000 ] - [ -0.0003066000000000, 0.0003811500000000, -0.0002732400000000 ] - [ -0.0010837100000000, -0.0004062600000000, 0.0007408500000000 ] - [ -0.0010868500000000, -0.0004154000000000, -0.0010492000000000 ] - [ 0.0006399100000000, -0.0009602900000000, 0.0008660900000000 ] - [ -0.0003588000000000, -0.0003761800000000, -0.0002577800000000 ] - [ 0.0001701600000000, 0.0003527100000000, 0.0004328600000000 ] - [ 0.0005862300000000, 0.0003121300000000, 0.0001941900000000 ] - [ 0.0002365300000000, -0.0003719000000000, 0.0001848700000000 ] - [ 0.0001422300000000, -0.0004147100000000, 0.0003862800000000 ] - [ 0.0005192500000000, 0.0003837600000000, -0.0001513500000000 ] - [ -0.0001074000000000, 0.0004080000000000, -0.0002861800000000 ] - [ -0.0245694300000000, 0.0004949300000000, 0.0077262000000000 ] - [ 0.0014239900000000, -0.0003074800000000, -0.0006909600000000 ] - [ 0.0004920100000000, 0.0003411100000000, 0.0002843700000000 ] - [ 0.0004952500000000, 0.0003171000000000, 0.0008240200000000 ] - [ -0.0003657100000000, -0.0004248000000000, 0.0008351200000000 ] - [ -0.0005629300000000, -0.0003550500000000, 0.0003789500000000 ] - [ -0.0008581000000000, 0.0003374900000000, -0.0008236600000000 ] - [ -0.0000483200000000, 0.0003491600000000, -0.0005972000000000 ] - [ 0.0006264900000000, 0.0004021300000000, 0.0015758200000000 ] - [ 0.0029402800000000, 0.0002883200000000, -0.0036909900000000 ] - [ -0.0007574800000000, -0.0003257800000000, -0.0007896100000000 ] - [ -0.0002408200000000, -0.0003487500000000, -0.0005819300000000 ] - [ -0.0009305800000000, 0.0003767400000000, -0.0000359000000000 ] - [ 0.0015504900000000, 0.0002953400000000, -0.0006850400000000 ] - [ 0.0008467300000000, -0.0003437400000000, -0.0002263100000000 ] - [ 0.0008455100000000, -0.0003322700000000, 0.0012402600000000 ] - [ -0.0003226600000000, -0.0004608700000000, -0.0007756100000000 ] - [ 0.0008015600000000, 0.0000104800000000, -0.0005173800000000 ] - [ 0.0054947200000000, -0.0035181700000000, 0.0005195800000000 ] - [ 0.0040056400000000, 0.0040956200000000, -0.0000223700000000 ] - [ -0.0003275700000000, 0.0000628500000000, 0.0003304200000000 ] - [ -0.0004998000000000, -0.0001772700000000, 0.0002822500000000 ] - [ -0.0014887100000000, -0.0002578100000000, 0.0001881600000000 ] - [ 0.0002667900000000, -0.0000626200000000, -0.0003350600000000 ] - [ -0.0009914700000000, -0.0000950300000000, -0.0002489100000000 ] - [ -0.0008770500000000, 0.0002005700000000, -0.0005489500000000 ] - [ -0.0017148900000000, -0.0000561000000000, 0.0003079900000000 ] - [ -0.0003881100000000, 0.0000578800000000, 0.0003021500000000 ] - [ 0.0000781700000000, 0.0004764600000000, -0.0005823600000000 ] - [ 0.0012548500000000, -0.0000095200000000, 0.0001916700000000 ] - [ 0.0033656800000000, 0.0020947100000000, -0.0004856100000000 ] - [ 0.0050886700000000, -0.0033394500000000, 0.0001088100000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002818800000000, -0.0001567600000000, -0.0003054400000000 ] - [ 0.0012500200000000, 0.0001947300000000, 0.0002389800000000 ] - [ -0.0052908500000000, -0.0026858200000000, 0.0024680100000000 ] - [ 0.0023762600000000, -0.0002049000000000, 0.0003210200000000 ] - [ -0.0010177600000000, 0.0001432800000000, -0.0008362100000000 ] - [ -0.0001960100000000, -0.0001986100000000, -0.0001620400000000 ] - [ 0.0007110500000000, 0.0002851300000000, 0.0004831600000000 ] - [ -0.0060777200000000, 0.0017245500000000, 0.0022816400000000 ] - [ 0.0001214100000000, -0.0007073000000000, 0.0001434500000000 ] - [ 0.0007488600000000, 0.0000070700000000, 0.0006897600000000 ] - [ 0.0006259500000000, 0.0002083700000000, -0.0009704000000000 ] - [ 0.0008719800000000, 0.0003125500000000, -0.0000384300000000 ] - [ -0.0006642300000000, 0.0000525500000000, -0.0005541100000000 ] - [ -0.0004817200000000, -0.0002302600000000, -0.0009130300000000 ] - [ -0.0006613200000000, -0.0002493600000000, 0.0004604000000000 ] - [ -0.0003937100000000, 0.0000197600000000, 0.0006822100000000 ] - [ -0.0013050400000000, -0.0000625400000000, -0.0007516000000000 ] - [ -0.0006664600000000, -0.0001891800000000, -0.0007597100000000 ] - [ -0.0012243300000000, -0.0004378600000000, 0.0008544500000000 ] - [ -0.0014019700000000, 0.0004530100000000, 0.0000317900000000 ] - [ 0.0010661100000000, -0.0001096100000000, 0.0007016100000000 ] - [ 0.0007330700000000, -0.0001590100000000, 0.0007345000000000 ] - [ 0.0007478300000000, 0.0002928300000000, -0.0000950400000000 ] - [ 0.0014340500000000, -0.0000724400000000, -0.0006623000000000 ] - [ 0.0011207300000000, 0.0001171300000000, 0.0006966000000000 ] - [ 0.0006707700000000, 0.0001323400000000, 0.0006352300000000 ] - [ 0.0009111200000000, -0.0001798100000000, -0.0004464000000000 ] - [ 0.0010414300000000, -0.0001603900000000, -0.0007484200000000 ] - [ -0.0010919600000000, 0.0000808400000000, -0.0005498200000000 ] - [ -0.0007683500000000, 0.0001399400000000, -0.0007569300000000 ] - [ 0.0006959300000000, -0.0014367400000000, 0.0005518500000000 ] - [ 0.0000859800000000, -0.0000173700000000, 0.0009690800000000 ] - [ -0.0000446900000000, -0.0000080700000000, -0.0001406400000000 ] - [ -0.0003850200000000, -0.0000100800000000, -0.0000698100000000 ] - [ -0.0001360900000000, -0.0003353400000000, 0.0006239900000000 ] - [ 0.0000207000000000, 0.0002019200000000, 0.0000487400000000 ] - [ -0.0000234400000000, -0.0002336600000000, 0.0002610400000000 ] - [ 0.0003489400000000, 0.0000466100000000, 0.0000468300000000 ] - [ 0.0003714300000000, 0.0013444500000000, 0.0000612700000000 ] - [ 0.0000756900000000, 0.0006731700000000, -0.0005721800000000 ] - [ 0.0001320300000000, 0.0002927900000000, 0.0004354100000000 ] - [ 0.0001868100000000, 0.0006487600000000, -0.0002387500000000 ] - [ 0.0003164200000000, -0.0003252200000000, -0.0004299900000000 ] - [ 0.0002569500000000, -0.0003471400000000, -0.0002659300000000 ] - [ -0.0003131800000000, 0.0005670700000000, -0.0002482400000000 ] - [ -0.0000830800000000, 0.0003720600000000, -0.0002530800000000 ] - [ 0.0006885900000000, -0.0003463300000000, -0.0002081500000000 ] - [ 0.0006802300000000, -0.0003282800000000, 0.0015784700000000 ] - [ -0.0010121200000000, 0.0002049700000000, -0.0013913000000000 ] - [ -0.0000311900000000, -0.0003767200000000, -0.0002689400000000 ] - [ -0.0005505600000000, 0.0004047900000000, 0.0000965400000000 ] - [ -0.0009849000000000, 0.0004510500000000, 0.0003297300000000 ] - [ 0.0001539300000000, -0.0003826200000000, 0.0003409200000000 ] - [ 0.0002468900000000, -0.0003373500000000, 0.0001426300000000 ] - [ -0.0001291000000000, 0.0003679900000000, -0.0003750400000000 ] - [ 0.0004962500000000, 0.0003478300000000, -0.0002402900000000 ] - [ 0.0256375400000000, -0.0011622100000000, -0.0091160000000000 ] - [ -0.0004241300000000, -0.0003945700000000, -0.0004762900000000 ] - [ 0.0004996000000000, 0.0003611800000000, 0.0008775500000000 ] - [ 0.0005022700000000, 0.0003859400000000, 0.0003424100000000 ] - [ -0.0006334800000000, -0.0002794000000000, 0.0003350900000000 ] - [ -0.0004280200000000, -0.0003481600000000, 0.0007847300000000 ] - [ -0.0001390700000000, 0.0003658000000000, -0.0003417900000000 ] - [ -0.0009454900000000, 0.0003538500000000, -0.0005665300000000 ] - [ -0.0016110300000000, 0.0003013600000000, -0.0003916800000000 ] - [ -0.0039609800000000, 0.0004145700000000, 0.0049026200000000 ] - [ -0.0002391800000000, -0.0003770800000000, -0.0003771700000000 ] - [ -0.0007532400000000, -0.0003538200000000, -0.0005834300000000 ] - [ 0.0019178400000000, 0.0003292700000000, -0.0011284300000000 ] - [ -0.0005501200000000, 0.0004057500000000, -0.0004802000000000 ] - [ 0.0001509000000000, -0.0003585400000000, 0.0013798800000000 ] - [ 0.0001490200000000, -0.0003704200000000, -0.0000791300000000 ] - [ 0.0011396100000000, 0.0004647000000000, -0.0000817800000000 ] - [ 0.0000205700000000, -0.0000105200000000, -0.0003458000000000 ] - [ -0.0045715400000000, 0.0034319200000000, 0.0003442800000000 ] - [ -0.0032179000000000, -0.0041498000000000, 0.0008937000000000 ] - [ -0.0004944200000000, -0.0000624000000000, 0.0005322900000000 ] - [ -0.0003211600000000, 0.0001785500000000, 0.0005815700000000 ] - [ 0.0006604200000000, 0.0002432700000000, -0.0010726500000000 ] - [ -0.0010919700000000, 0.0000638700000000, -0.0005307200000000 ] - [ -0.0008953200000000, 0.0000942500000000, -0.0002259200000000 ] - [ -0.0010042700000000, -0.0002010300000000, 0.0000718300000000 ] - [ -0.0001659100000000, 0.0000723900000000, 0.0001538600000000 ] - [ -0.0014973100000000, -0.0000580500000000, 0.0001722300000000 ] - [ 0.0017930300000000, -0.0004864300000000, 0.0010724600000000 ] - [ 0.0006313200000000, 0.0000095600000000, 0.0002838800000000 ] - [ -0.0014403800000000, -0.0020561500000000, 0.0000050100000000 ] - [ -0.0032517000000000, 0.0033936300000000, -0.0005929700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010677600000000, 0.0000131800000000, -0.0000785300000000 ] - [ 0.0007432800000000, 0.0000101800000000, 0.0002402000000000 ] - [ 0.0031118100000000, 0.0048427400000000, -0.0027563800000000 ] - [ 0.0011583300000000, 0.0000638800000000, 0.0002839500000000 ] - [ -0.0011413600000000, 0.0000373800000000, 0.0002298800000000 ] - [ -0.0007031800000000, 0.0000073800000000, -0.0002132800000000 ] - [ -0.0010893800000000, -0.0000217200000000, -0.0001499200000000 ] - [ -0.0024012100000000, 0.0038740700000000, 0.0020242600000000 ] - [ 0.0008942200000000, -0.0009349900000000, -0.0000223300000000 ] - [ 0.0005231900000000, 0.0000047800000000, 0.0006313100000000 ] - [ 0.0004984600000000, 0.0001541600000000, -0.0008922000000000 ] - [ -0.0000874400000000, -0.0001455300000000, -0.0013108400000000 ] - [ -0.0006419800000000, 0.0000002300000000, -0.0006776400000000 ] - [ -0.0005437800000000, 0.0000131600000000, -0.0006266000000000 ] - [ 0.0002500000000000, 0.0005401900000000, 0.0009899300000000 ] - [ -0.0005587400000000, 0.0000000600000000, 0.0006802300000000 ] - [ -0.0010952600000000, 0.0001919900000000, -0.0011869900000000 ] - [ -0.0009271600000000, -0.0001110800000000, -0.0007363500000000 ] - [ -0.0007447400000000, -0.0005241000000000, 0.0007573500000000 ] - [ -0.0002496200000000, -0.0004410600000000, 0.0012583000000000 ] - [ 0.0009143100000000, -0.0001343800000000, 0.0007339800000000 ] - [ 0.0009257100000000, -0.0001453100000000, 0.0007278900000000 ] - [ 0.0001095600000000, 0.0007551500000000, -0.0013409200000000 ] - [ 0.0008790100000000, 0.0001222500000000, -0.0007615300000000 ] - [ 0.0009151100000000, 0.0001323000000000, 0.0007326000000000 ] - [ 0.0009281900000000, 0.0001429700000000, 0.0007305300000000 ] - [ 0.0009050900000000, -0.0004047400000000, -0.0004657600000000 ] - [ 0.0008929900000000, -0.0001287200000000, -0.0007519700000000 ] - [ -0.0009872400000000, -0.0000738500000000, -0.0004960200000000 ] - [ -0.0009244700000000, 0.0001126000000000, -0.0007364400000000 ] - [ 0.0002191500000000, 0.0006004700000000, 0.0007209100000000 ] - [ -0.0010655000000000, 0.0001626700000000, 0.0007463700000000 ] - [ -0.0002031600000000, 0.0000012900000000, -0.0000717700000000 ] - [ -0.0002226800000000, -0.0000012500000000, -0.0000700500000000 ] - [ 0.0004506500000000, -0.0001512300000000, 0.0007127000000000 ] - [ -0.0001907100000000, 0.0000172500000000, 0.0001566400000000 ] - [ 0.0003989200000000, 0.0000968700000000, 0.0001286800000000 ] - [ 0.0002127600000000, 0.0000019300000000, 0.0000897500000000 ] - [ -0.0005830400000000, -0.0011057100000000, -0.0001758100000000 ] - [ -0.0001347300000000, 0.0005069600000000, -0.0008601900000000 ] - [ 0.0002275700000000, 0.0003968400000000, 0.0002629400000000 ] - [ 0.0001775100000000, 0.0003816700000000, 0.0002207700000000 ] - [ -0.0003266900000000, -0.0009431100000000, -0.0009049100000000 ] - [ 0.0001932700000000, -0.0003794000000000, -0.0002653700000000 ] - [ -0.0002560000000000, -0.0002530800000000, -0.0001910300000000 ] - [ -0.0001735900000000, 0.0003400300000000, -0.0002594200000000 ] - [ -0.0006384600000000, -0.0000970800000000, 0.0004604700000000 ] - [ 0.0004397700000000, 0.0002006100000000, 0.0010090100000000 ] - [ -0.0003971500000000, 0.0001339700000000, 0.0009342700000000 ] - [ -0.0001761600000000, -0.0003443200000000, -0.0002543100000000 ] - [ 0.0001253500000000, 0.0001779700000000, 0.0002989200000000 ] - [ -0.0004672300000000, 0.0001141900000000, 0.0002445700000000 ] - [ 0.0002262900000000, -0.0003919800000000, 0.0002703200000000 ] - [ 0.0001813200000000, -0.0003732100000000, 0.0002539200000000 ] - [ 0.0001910100000000, 0.0006609400000000, -0.0001125200000000 ] - [ 0.0002007600000000, 0.0003795300000000, -0.0002708900000000 ] - [ 0.0015339700000000, -0.0312285700000000, -0.0000071800000000 ] - [ 0.0005405800000000, -0.0006582600000000, -0.0005777000000000 ] - [ 0.0005313000000000, 0.0006160100000000, 0.0005739700000000 ] - [ 0.0005054300000000, 0.0006159600000000, 0.0005294900000000 ] - [ -0.0004235200000000, -0.0000276500000000, 0.0005204100000000 ] - [ -0.0004944500000000, 0.0002936600000000, 0.0005752700000000 ] - [ -0.0005105600000000, 0.0000418900000000, -0.0006300500000000 ] - [ -0.0004982400000000, 0.0003601600000000, -0.0005860100000000 ] - [ -0.0004484400000000, -0.0000720900000000, 0.0005775100000000 ] - [ -0.0005479500000000, -0.0010067800000000, 0.0006657400000000 ] - [ -0.0005220900000000, 0.0000883700000000, -0.0006990000000000 ] - [ -0.0004988200000000, -0.0003550300000000, -0.0005896900000000 ] - [ 0.0004698500000000, 0.0093411100000000, -0.0005535500000000 ] - [ 0.0005523800000000, 0.0007888800000000, -0.0005803300000000 ] - [ 0.0005141200000000, -0.0006673200000000, 0.0005555500000000 ] - [ 0.0005045600000000, -0.0006674600000000, 0.0005472300000000 ] - [ 0.0001140400000000, 0.0012620600000000, 0.0016229100000000 ] - [ 0.0003962500000000, -0.0000062700000000, -0.0004000500000000 ] - [ -0.0030406600000000, 0.0013224500000000, 0.0003420800000000 ] - [ 0.0035874400000000, 0.0026953500000000, -0.0000389200000000 ] - [ -0.0003696300000000, 0.0000006800000000, 0.0004089400000000 ] - [ -0.0004308200000000, -0.0000098800000000, 0.0004204000000000 ] - [ -0.0008014500000000, 0.0018827400000000, 0.0038447000000000 ] - [ -0.0003574900000000, -0.0000043500000000, -0.0003975600000000 ] - [ -0.0009721700000000, -0.0000087800000000, -0.0002550400000000 ] - [ -0.0009146200000000, -0.0000108900000000, -0.0002440100000000 ] - [ -0.0005459300000000, 0.0026523700000000, -0.0028812600000000 ] - [ -0.0009577100000000, -0.0000198000000000, 0.0001989300000000 ] - [ 0.0013667000000000, 0.0014296700000000, -0.0030885700000000 ] - [ 0.0009324100000000, -0.0000007500000000, 0.0002269800000000 ] - [ 0.0029095400000000, 0.0013917400000000, -0.0001847900000000 ] - [ -0.0031546900000000, 0.0018747800000000, 0.0002129500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003056600000000, -0.0000144100000000, 0.0005363100000000 ] - [ 0.0006331000000000, -0.0000109600000000, 0.0002188100000000 ] - [ -0.0019527300000000, -0.0051417800000000, 0.0025305700000000 ] - [ 0.0002229900000000, -0.0000694800000000, -0.0007438700000000 ] - [ -0.0002376800000000, -0.0000362700000000, -0.0006886000000000 ] - [ -0.0006737700000000, -0.0000068100000000, -0.0002434900000000 ] - [ -0.0002936900000000, 0.0000276300000000, 0.0006032000000000 ] - [ 0.0008245600000000, -0.0035942400000000, -0.0013702700000000 ] - [ 0.0002299600000000, 0.0009293300000000, 0.0013670200000000 ] - [ 0.0006018500000000, -0.0000051300000000, 0.0007060200000000 ] - [ 0.0006302600000000, -0.0001559300000000, -0.0004468800000000 ] - [ 0.0012133000000000, 0.0001410300000000, -0.0000249400000000 ] - [ -0.0004841200000000, 0.0000000500000000, -0.0006608000000000 ] - [ -0.0005813900000000, -0.0000112800000000, -0.0007099200000000 ] - [ -0.0013701400000000, -0.0005393100000000, 0.0003546100000000 ] - [ -0.0005678900000000, 0.0000002500000000, 0.0006591500000000 ] - [ -0.0007271400000000, -0.0004491000000000, -0.0002724500000000 ] - [ -0.0008935700000000, -0.0001441400000000, -0.0007196000000000 ] - [ -0.0010853200000000, 0.0007784800000000, 0.0006995700000000 ] - [ -0.0015769200000000, 0.0006940500000000, 0.0001988400000000 ] - [ 0.0009073900000000, -0.0001189100000000, 0.0007227700000000 ] - [ 0.0008960100000000, -0.0001086100000000, 0.0007285200000000 ] - [ 0.0017154300000000, -0.0004966300000000, -0.0001063800000000 ] - [ 0.0009415100000000, 0.0001310900000000, -0.0006963900000000 ] - [ 0.0009067400000000, 0.0001212700000000, 0.0007236700000000 ] - [ 0.0008939100000000, 0.0001113900000000, 0.0007264200000000 ] - [ 0.0009165200000000, 0.0001522100000000, -0.0009973700000000 ] - [ 0.0009301900000000, -0.0001223900000000, -0.0007055600000000 ] - [ -0.0008345400000000, 0.0003277500000000, -0.0009613600000000 ] - [ -0.0008970100000000, 0.0001413400000000, -0.0007200300000000 ] - [ -0.0020195200000000, -0.0008816500000000, 0.0007379500000000 ] - [ -0.0007632400000000, -0.0004177100000000, 0.0007080900000000 ] - [ -0.0002006000000000, -0.0000018600000000, -0.0000808500000000 ] - [ -0.0001836600000000, 0.0000010000000000, -0.0000833200000000 ] - [ -0.0008605400000000, 0.0001474300000000, -0.0005593700000000 ] - [ -0.0002121400000000, -0.0000189900000000, -0.0000054600000000 ] - [ 0.0000053600000000, -0.0000960500000000, 0.0000219100000000 ] - [ 0.0001930700000000, -0.0000014200000000, 0.0000638000000000 ] - [ 0.0009779600000000, 0.0011089300000000, 0.0000231800000000 ] - [ 0.0005300300000000, -0.0005055500000000, 0.0007024000000000 ] - [ 0.0001615600000000, 0.0003568900000000, 0.0002637600000000 ] - [ 0.0002125700000000, 0.0003679500000000, 0.0003104200000000 ] - [ 0.0007167000000000, 0.0001925900000000, 0.0003798600000000 ] - [ 0.0001957600000000, -0.0003765200000000, -0.0002611500000000 ] - [ -0.0001336800000000, 0.0010043400000000, -0.0003281300000000 ] - [ -0.0002159900000000, 0.0004124400000000, -0.0002681900000000 ] - [ 0.0002514600000000, -0.0006531000000000, 0.0000666400000000 ] - [ -0.0008377900000000, -0.0009499600000000, -0.0004838800000000 ] - [ 0.0000072600000000, -0.0008598600000000, -0.0014784400000000 ] - [ -0.0002135700000000, -0.0004079500000000, -0.0002732100000000 ] - [ -0.0005129600000000, 0.0005752100000000, 0.0002283300000000 ] - [ 0.0000831600000000, 0.0006415100000000, 0.0002827200000000 ] - [ 0.0001628100000000, -0.0003627500000000, 0.0002559500000000 ] - [ 0.0002082100000000, -0.0003792100000000, 0.0002743200000000 ] - [ 0.0002013200000000, 0.0000880700000000, -0.0004114000000000 ] - [ 0.0001878100000000, 0.0003754000000000, -0.0002552700000000 ] - [ -0.0001183600000000, 0.0305751700000000, -0.0015891100000000 ] - [ 0.0004557800000000, -0.0000454600000000, -0.0005890600000000 ] - [ 0.0004646700000000, 0.0000872000000000, 0.0005901000000000 ] - [ 0.0004883000000000, 0.0000869200000000, 0.0006349400000000 ] - [ -0.0005711800000000, -0.0006751300000000, 0.0006467000000000 ] - [ -0.0005037800000000, -0.0009968700000000, 0.0005931400000000 ] - [ -0.0004847900000000, 0.0006615200000000, -0.0005342000000000 ] - [ -0.0004960300000000, 0.0003426800000000, -0.0005784400000000 ] - [ -0.0005515600000000, 0.0007743100000000, 0.0005870500000000 ] - [ -0.0004242200000000, 0.0017080900000000, 0.0004782300000000 ] - [ -0.0004731400000000, -0.0007918400000000, -0.0004670500000000 ] - [ -0.0004962400000000, -0.0003478500000000, -0.0005760100000000 ] - [ 0.0005192600000000, -0.0086568500000000, -0.0006048900000000 ] - [ 0.0004442600000000, -0.0000854700000000, -0.0005853900000000 ] - [ 0.0004780000000000, -0.0000360300000000, 0.0006123500000000 ] - [ 0.0004925900000000, -0.0000357900000000, 0.0006194800000000 ] - [ 0.0007119600000000, -0.0012679600000000, -0.0025202900000000 ] - [ 0.0004228700000000, 0.0000074000000000, -0.0004622800000000 ] - [ 0.0038961300000000, -0.0013170600000000, 0.0005213600000000 ] - [ -0.0027898200000000, -0.0026975600000000, 0.0009054600000000 ] - [ -0.0004502800000000, -0.0000022800000000, 0.0004539000000000 ] - [ -0.0003911700000000, 0.0000084700000000, 0.0004416700000000 ] - [ -0.0000271900000000, -0.0018846400000000, -0.0046654600000000 ] - [ -0.0004680200000000, 0.0000022900000000, -0.0004678300000000 ] - [ -0.0009124200000000, 0.0000101100000000, -0.0002193600000000 ] - [ -0.0009685000000000, 0.0000132300000000, -0.0002341900000000 ] - [ -0.0013379300000000, -0.0026562900000000, 0.0033898600000000 ] - [ -0.0009298700000000, 0.0000214300000000, 0.0002740600000000 ] - [ 0.0005218400000000, -0.0014329600000000, 0.0035276800000000 ] - [ 0.0009514000000000, -0.0000006800000000, 0.0002485600000000 ] - [ -0.0009892100000000, -0.0013832400000000, -0.0002899200000000 ] - [ 0.0050018600000000, -0.0018745200000000, -0.0006793000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008528300000000, -0.0001781200000000, -0.0010271800000000 ] - [ 0.0004858300000000, -0.0002364300000000, -0.0005436400000000 ] - [ -0.0020207300000000, -0.0028184600000000, 0.0059969000000000 ] - [ 0.0007997800000000, 0.0001946100000000, 0.0006397900000000 ] - [ -0.0002492200000000, 0.0001169400000000, -0.0017708200000000 ] - [ -0.0009395800000000, 0.0002259700000000, -0.0009388100000000 ] - [ -0.0005762100000000, -0.0001757100000000, 0.0011124700000000 ] - [ -0.0029017100000000, 0.0019934600000000, 0.0057950000000000 ] - [ 0.0008945300000000, -0.0012183900000000, 0.0006036700000000 ] - [ 0.0005090600000000, -0.0000022300000000, 0.0007937900000000 ] - [ 0.0008216000000000, -0.0001800600000000, -0.0006660200000000 ] - [ 0.0000025400000000, -0.0003453800000000, -0.0007389900000000 ] - [ -0.0006636900000000, -0.0000441000000000, -0.0007648100000000 ] - [ -0.0005326100000000, -0.0002300600000000, -0.0009181300000000 ] - [ -0.0000847100000000, 0.0006838300000000, 0.0007806700000000 ] - [ -0.0005828100000000, -0.0000170400000000, 0.0005109000000000 ] - [ -0.0013780200000000, -0.0001543700000000, -0.0017774600000000 ] - [ -0.0007158400000000, -0.0001930500000000, -0.0007434200000000 ] - [ -0.0009370600000000, -0.0000376300000000, 0.0009430500000000 ] - [ -0.0007740300000000, 0.0001764900000000, 0.0005846200000000 ] - [ 0.0009614400000000, -0.0001458600000000, 0.0006607100000000 ] - [ 0.0008706300000000, -0.0001575200000000, 0.0006234200000000 ] - [ -0.0004351900000000, 0.0002379000000000, -0.0014632300000000 ] - [ 0.0014040700000000, -0.0001168500000000, -0.0006089300000000 ] - [ 0.0009919800000000, 0.0001558000000000, 0.0005734400000000 ] - [ 0.0008636400000000, 0.0001548500000000, 0.0004484000000000 ] - [ 0.0008595300000000, -0.0000513500000000, 0.0000679400000000 ] - [ 0.0010466900000000, -0.0001688500000000, -0.0006668500000000 ] - [ -0.0011777600000000, 0.0000901600000000, -0.0004270600000000 ] - [ -0.0007818400000000, 0.0001218300000000, -0.0007763800000000 ] - [ -0.0001794900000000, -0.0003596800000000, 0.0018486900000000 ] - [ -0.0008234500000000, -0.0001250200000000, 0.0010475500000000 ] - [ -0.0001416500000000, -0.0000136400000000, -0.0001991900000000 ] - [ -0.0002400100000000, -0.0000304000000000, -0.0002727100000000 ] - [ -0.0008215600000000, 0.0002923200000000, -0.0002075300000000 ] - [ 0.0000305700000000, 0.0001909200000000, 0.0002055200000000 ] - [ -0.0001070700000000, -0.0000432200000000, -0.0001328400000000 ] - [ 0.0003441500000000, 0.0000412700000000, 0.0000005200000000 ] - [ 0.0003883000000000, 0.0003672300000000, 0.0007091200000000 ] - [ 0.0003938800000000, -0.0002438800000000, 0.0000031800000000 ] - [ 0.0001799500000000, 0.0004051800000000, 0.0000982400000000 ] - [ 0.0001910900000000, 0.0006137200000000, -0.0002690000000000 ] - [ 0.0008700400000000, -0.0000479100000000, 0.0002190200000000 ] - [ 0.0001805400000000, -0.0003489300000000, -0.0004040300000000 ] - [ -0.0001310200000000, 0.0008943800000000, 0.0000503800000000 ] - [ -0.0002063300000000, 0.0003897700000000, -0.0001606900000000 ] - [ 0.0003112500000000, -0.0003372600000000, 0.0002854300000000 ] - [ -0.0008680200000000, -0.0001873300000000, 0.0004054200000000 ] - [ 0.0002389300000000, 0.0009043800000000, -0.0018153300000000 ] - [ -0.0002333800000000, -0.0003846000000000, -0.0001124900000000 ] - [ -0.0001577100000000, 0.0003936500000000, 0.0002430400000000 ] - [ -0.0004755100000000, 0.0003283200000000, 0.0002597000000000 ] - [ 0.0001516400000000, -0.0003703500000000, 0.0001833200000000 ] - [ 0.0002285400000000, -0.0003451700000000, 0.0001303900000000 ] - [ -0.0001038300000000, 0.0004815000000000, -0.0012196600000000 ] - [ 0.0002725400000000, 0.0003840700000000, -0.0004687200000000 ] - [ 0.0090211200000000, 0.0004170700000000, -0.0263520000000000 ] - [ 0.0003899400000000, -0.0003460300000000, -0.0009266300000000 ] - [ 0.0002576500000000, 0.0002995900000000, 0.0007507500000000 ] - [ 0.0007908800000000, 0.0003438300000000, 0.0007507400000000 ] - [ -0.0002460400000000, -0.0002884300000000, 0.0003594700000000 ] - [ -0.0006983000000000, -0.0003429300000000, 0.0005007900000000 ] - [ -0.0002558000000000, 0.0003994500000000, 0.0003134000000000 ] - [ -0.0004802300000000, 0.0003558300000000, -0.0000794800000000 ] - [ 0.0004914200000000, 0.0003471500000000, 0.0007706600000000 ] - [ -0.0048157800000000, 0.0004456100000000, 0.0041592600000000 ] - [ -0.0002901600000000, -0.0004671600000000, 0.0004613300000000 ] - [ -0.0004960500000000, -0.0003587000000000, -0.0003160200000000 ] - [ 0.0010412100000000, 0.0003275600000000, -0.0019803300000000 ] - [ 0.0003949600000000, 0.0003492300000000, -0.0008347700000000 ] - [ -0.0001577200000000, -0.0003160000000000, 0.0012834400000000 ] - [ 0.0012939400000000, -0.0003237100000000, 0.0012840800000000 ] - [ 0.0003925900000000, 0.0020488100000000, 0.0021597200000000 ] - [ 0.0003448200000000, 0.0000821300000000, -0.0003365900000000 ] - [ -0.0005504300000000, 0.0005113700000000, -0.0007604500000000 ] - [ 0.0004773100000000, 0.0000436400000000, -0.0003589600000000 ] - [ -0.0004411800000000, -0.0000155200000000, 0.0007783100000000 ] - [ -0.0004177000000000, 0.0000866800000000, 0.0009472500000000 ] - [ 0.0000986000000000, 0.0034179800000000, 0.0038295500000000 ] - [ -0.0007385100000000, 0.0002316400000000, -0.0005971100000000 ] - [ -0.0009374300000000, 0.0000288800000000, 0.0001151300000000 ] - [ -0.0009995100000000, -0.0000809800000000, 0.0003753800000000 ] - [ -0.0012779800000000, -0.0040851200000000, 0.0038014600000000 ] - [ -0.0010765500000000, -0.0001655600000000, 0.0002350700000000 ] - [ 0.0002643500000000, -0.0033179700000000, 0.0048877700000000 ] - [ 0.0009811600000000, -0.0000579700000000, 0.0002438300000000 ] - [ 0.0001898900000000, -0.0003297800000000, -0.0009286700000000 ] - [ 0.0015439900000000, 0.0002297100000000, -0.0012667000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005191700000000, 0.0001812000000000, 0.0014898100000000 ] - [ 0.0008918800000000, 0.0002411400000000, 0.0010033900000000 ] - [ 0.0032825700000000, 0.0026450300000000, -0.0063880600000000 ] - [ 0.0005842700000000, -0.0001975300000000, -0.0010948300000000 ] - [ -0.0011373800000000, -0.0001187900000000, 0.0013224500000000 ] - [ -0.0004353100000000, -0.0002306300000000, 0.0004820300000000 ] - [ -0.0008021600000000, 0.0001793600000000, -0.0006523500000000 ] - [ 0.0014168900000000, -0.0018430700000000, -0.0052795300000000 ] - [ 0.0002307600000000, 0.0012220600000000, 0.0007251900000000 ] - [ 0.0006165800000000, 0.0000022800000000, 0.0005422300000000 ] - [ 0.0003003800000000, 0.0001834900000000, -0.0006765300000000 ] - [ 0.0011227500000000, 0.0003462700000000, -0.0006043400000000 ] - [ -0.0004626000000000, 0.0000445500000000, -0.0005731600000000 ] - [ -0.0005935700000000, 0.0002298400000000, -0.0004188800000000 ] - [ -0.0010399300000000, -0.0006762700000000, 0.0005664300000000 ] - [ -0.0005434000000000, 0.0000169400000000, 0.0008294000000000 ] - [ -0.0004383200000000, -0.0001001900000000, 0.0003272400000000 ] - [ -0.0011077800000000, -0.0000596100000000, -0.0007139200000000 ] - [ -0.0008835500000000, 0.0002891400000000, 0.0005120600000000 ] - [ -0.0010457600000000, 0.0000743800000000, 0.0008767400000000 ] - [ 0.0008605800000000, -0.0001069500000000, 0.0007963400000000 ] - [ 0.0009525500000000, -0.0000957800000000, 0.0008341300000000 ] - [ 0.0022549700000000, 0.0000281300000000, 0.0000260500000000 ] - [ 0.0004192100000000, 0.0003676000000000, -0.0008473500000000 ] - [ 0.0008300700000000, 0.0000966800000000, 0.0008844300000000 ] - [ 0.0009589500000000, 0.0000986400000000, 0.0010093800000000 ] - [ 0.0009656800000000, -0.0001935000000000, -0.0015153600000000 ] - [ 0.0007753300000000, -0.0000830200000000, -0.0007900200000000 ] - [ -0.0006416600000000, 0.0001593400000000, -0.0010383600000000 ] - [ -0.0010411900000000, 0.0001315700000000, -0.0006805400000000 ] - [ -0.0016356700000000, 0.0001024700000000, -0.0004085000000000 ] - [ -0.0010016300000000, -0.0001277600000000, 0.0004080400000000 ] - [ -0.0002632800000000, 0.0000140100000000, 0.0000470800000000 ] - [ -0.0001667100000000, 0.0000302200000000, 0.0001199100000000 ] - [ 0.0004135100000000, -0.0002955100000000, 0.0003678500000000 ] - [ -0.0004353000000000, -0.0001905100000000, -0.0000528000000000 ] - [ 0.0005151500000000, 0.0000449300000000, 0.0002843300000000 ] - [ 0.0000607200000000, -0.0000417700000000, 0.0001526500000000 ] - [ 0.0000215800000000, -0.0003622300000000, -0.0008709200000000 ] - [ 0.0000110100000000, 0.0002421900000000, -0.0001510600000000 ] - [ 0.0002091400000000, 0.0003479600000000, 0.0004309200000000 ] - [ 0.0001977000000000, 0.0001375800000000, 0.0007996000000000 ] - [ -0.0004742200000000, -0.0007082100000000, -0.0007373000000000 ] - [ 0.0002086200000000, -0.0004053800000000, -0.0001226500000000 ] - [ -0.0002582600000000, -0.0001451100000000, -0.0005857300000000 ] - [ -0.0001833300000000, 0.0003622400000000, -0.0003695900000000 ] - [ -0.0007027900000000, -0.0004167300000000, 0.0002379300000000 ] - [ 0.0004779100000000, -0.0005691500000000, 0.0001124000000000 ] - [ -0.0006260900000000, -0.0016595400000000, 0.0012714600000000 ] - [ -0.0001561500000000, -0.0003675900000000, -0.0004181500000000 ] - [ -0.0002346600000000, 0.0003598100000000, 0.0002823700000000 ] - [ 0.0000893700000000, 0.0004255000000000, 0.0002643700000000 ] - [ 0.0002372400000000, -0.0003830100000000, 0.0003451800000000 ] - [ 0.0001612300000000, -0.0004053200000000, 0.0004005400000000 ] - [ 0.0004921100000000, 0.0002722700000000, 0.0006893500000000 ] - [ 0.0001172600000000, 0.0003704800000000, -0.0000577700000000 ] - [ -0.0078248600000000, -0.0011671600000000, 0.0250900800000000 ] - [ 0.0006062900000000, -0.0003570400000000, -0.0002398800000000 ] - [ 0.0007414900000000, 0.0004042100000000, 0.0004165000000000 ] - [ 0.0002017000000000, 0.0003589700000000, 0.0004165900000000 ] - [ -0.0007498500000000, -0.0004141000000000, 0.0008039000000000 ] - [ -0.0002949500000000, -0.0003603200000000, 0.0006606200000000 ] - [ -0.0007405000000000, 0.0003027200000000, -0.0014830000000000 ] - [ -0.0005155100000000, 0.0003469800000000, -0.0010870100000000 ] - [ -0.0014801000000000, 0.0003559500000000, 0.0003978800000000 ] - [ 0.0037757600000000, 0.0002577200000000, -0.0029637400000000 ] - [ -0.0007052500000000, -0.0002345000000000, -0.0016324300000000 ] - [ -0.0004990200000000, -0.0003438000000000, -0.0008509900000000 ] - [ -0.0000477400000000, 0.0003776900000000, 0.0008242100000000 ] - [ 0.0006017500000000, 0.0003540900000000, -0.0003308900000000 ] - [ 0.0011638500000000, -0.0003873800000000, -0.0001263900000000 ] - [ -0.0003082500000000, -0.0003795800000000, -0.0001255700000000 ] - [ 0.0004312000000000, -0.0020889000000000, -0.0030717600000000 ] - [ 0.0004771700000000, -0.0000829600000000, -0.0005268000000000 ] - [ 0.0013576100000000, -0.0005021300000000, 0.0016354200000000 ] - [ 0.0003673600000000, -0.0000281400000000, 0.0012227900000000 ] - [ -0.0003790400000000, 0.0000153600000000, 0.0000830900000000 ] - [ -0.0004050400000000, -0.0000855900000000, -0.0000848000000000 ] - [ -0.0009085500000000, -0.0033633300000000, -0.0046405000000000 ] - [ -0.0000891700000000, -0.0002302800000000, -0.0002708700000000 ] - [ -0.0009458300000000, -0.0000291400000000, -0.0005932400000000 ] - [ -0.0008821600000000, 0.0000806900000000, -0.0008554100000000 ] - [ -0.0006083200000000, 0.0040332500000000, -0.0032847900000000 ] - [ -0.0008103500000000, 0.0001650800000000, 0.0002381200000000 ] - [ 0.0016301400000000, 0.0033984800000000, -0.0045048400000000 ] - [ 0.0009016100000000, 0.0000583800000000, 0.0002348200000000 ] - [ 0.0016909800000000, 0.0003236200000000, 0.0004595900000000 ] - [ 0.0003631600000000, -0.0002430000000000, 0.0007957200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0282254500000000, 0.0000000000000000, -0.0178482500000000 ] - [ -0.0009488700000000, 0.0000000000000000, -0.0009405900000000 ] - [ 0.0011993400000000, 0.0000000000000000, 0.0003215500000000 ] - [ 0.0001876700000000, 0.0000000000000000, -0.0003653300000000 ] - [ 0.0005880800000000, 0.0000000000000000, 0.0014339600000000 ] - [ -0.0023730300000000, 0.0000000000000000, -0.0022665500000000 ] - [ -0.0011441000000000, 0.0000000000000000, 0.0001259200000000 ] - [ -0.0003983000000000, 0.0000000000000000, 0.0003724400000000 ] - [ 0.0551671500000000, 0.0000000000000000, 0.1177610600000000 ] - [ 0.0002459000000000, 0.0000000000000000, 0.0007578900000000 ] - [ 0.0002251600000000, 0.0000000000000000, -0.0010172900000000 ] - [ -0.0002327000000000, 0.0000000000000000, -0.0000536600000000 ] - [ -0.0004182900000000, 0.0000000000000000, -0.0007212300000000 ] - [ -0.0007113300000000, 0.0000000000000000, -0.0006204200000000 ] - [ -0.0005273300000000, 0.0000000000000000, 0.0006784500000000 ] - [ -0.0006308000000000, 0.0000000000000000, 0.0006339900000000 ] - [ 0.1529861200000000, -0.1378335700000000, 0.0160530500000000 ] - [ -0.0014787100000000, 0.0000969000000000, -0.0007474700000000 ] - [ -0.0007445700000000, 0.0002453700000000, 0.0005233800000000 ] - [ -0.0010794800000000, -0.0000285200000000, 0.0007659700000000 ] - [ 0.0005866300000000, -0.0001275300000000, 0.0009769600000000 ] - [ 0.0012425300000000, -0.0001235400000000, 0.0005584600000000 ] - [ 0.0009570500000000, 0.0001192200000000, -0.0006912300000000 ] - [ 0.0008804400000000, 0.0001289100000000, -0.0007351600000000 ] - [ 0.0005866300000000, 0.0001275300000000, 0.0009769600000000 ] - [ 0.0012425300000000, 0.0001235400000000, 0.0005584600000000 ] - [ 0.0009570500000000, -0.0001192200000000, -0.0006912300000000 ] - [ 0.0008804400000000, -0.0001289100000000, -0.0007351600000000 ] - [ 0.1529861200000000, 0.1378335700000000, 0.0160530500000000 ] - [ -0.0014787100000000, -0.0000969000000000, -0.0007474700000000 ] - [ -0.0007445700000000, -0.0002453700000000, 0.0005233800000000 ] - [ -0.0010794800000000, 0.0000285200000000, 0.0007659700000000 ] - [ -0.0005117400000000, 0.0000000000000000, 0.0000960700000000 ] - [ -0.0000186500000000, 0.0000000000000000, -0.0005174100000000 ] - [ -0.0001826600000000, 0.0000000000000000, 0.0000772500000000 ] - [ -0.0002307600000000, 0.0000000000000000, 0.0001003300000000 ] - [ 0.0007514000000000, 0.0000000000000000, 0.0001623900000000 ] - [ -0.0002710300000000, 0.0000000000000000, -0.0000370300000000 ] - [ 0.0004045400000000, 0.0000000000000000, -0.0001336500000000 ] - [ 0.0000658700000000, 0.0000000000000000, -0.0000128900000000 ] - [ 0.0002502900000000, 0.0002854300000000, 0.0003189200000000 ] - [ 0.0001878500000000, 0.0004402400000000, 0.0002462600000000 ] - [ 0.0002450200000000, -0.0003967200000000, -0.0001755400000000 ] - [ 0.0001494100000000, -0.0003604300000000, -0.0003202800000000 ] - [ 0.0000143500000000, 0.0009222400000000, -0.0009397100000000 ] - [ -0.0006164300000000, 0.0003151300000000, -0.0001088100000000 ] - [ -0.0002745000000000, -0.0004543200000000, -0.0001871400000000 ] - [ -0.0000711900000000, -0.0002539700000000, 0.0006245400000000 ] - [ 0.0000143500000000, -0.0009222400000000, -0.0009397100000000 ] - [ -0.0006164300000000, -0.0003151300000000, -0.0001088100000000 ] - [ -0.0002745000000000, 0.0004543200000000, -0.0001871400000000 ] - [ -0.0000711900000000, 0.0002539700000000, 0.0006245400000000 ] - [ 0.0002502900000000, -0.0002854300000000, 0.0003189200000000 ] - [ 0.0001878500000000, -0.0004402400000000, 0.0002462600000000 ] - [ 0.0002450200000000, 0.0003967200000000, -0.0001755400000000 ] - [ 0.0001494100000000, 0.0003604300000000, -0.0003202800000000 ] - [ -0.0002235100000000, -0.0006456100000000, -0.0006031900000000 ] - [ 0.0008984900000000, -0.0003550600000000, -0.0006448000000000 ] - [ 0.0041331700000000, -0.0028576300000000, 0.0005193600000000 ] - [ 0.0055487400000000, 0.0038097300000000, 0.0015305900000000 ] - [ -0.0004258400000000, -0.0003835200000000, 0.0005481600000000 ] - [ -0.0005963900000000, -0.0003238800000000, 0.0005731900000000 ] - [ -0.0015768400000000, -0.0000540500000000, -0.0010703200000000 ] - [ 0.0001725900000000, 0.0003998400000000, -0.0002514000000000 ] - [ -0.0004258400000000, 0.0003835200000000, 0.0005481600000000 ] - [ -0.0005963900000000, 0.0003238800000000, 0.0005731900000000 ] - [ -0.0015768400000000, 0.0000540500000000, -0.0010703200000000 ] - [ 0.0001725900000000, -0.0003998400000000, -0.0002514000000000 ] - [ -0.0002235100000000, 0.0006456100000000, -0.0006031900000000 ] - [ 0.0008984900000000, 0.0003550600000000, -0.0006448000000000 ] - [ 0.0041331700000000, 0.0028576300000000, 0.0005193600000000 ] - [ 0.0055487400000000, -0.0038097300000000, 0.0015305900000000 ] - [ -0.4029412600000000, 0.0000000000000000, -0.1323480600000000 ] - [ 0.0015787200000000, 0.0000000000000000, -0.0004785200000000 ] - [ 0.0006457000000000, 0.0000000000000000, 0.0009807500000000 ] - [ 0.0006440000000000, 0.0000000000000000, 0.0001062600000000 ] - [ -0.0003294900000000, 0.0000000000000000, -0.0002406900000000 ] - [ -0.0005951900000000, 0.0000000000000000, 0.0010839600000000 ] - [ -0.0005133200000000, 0.0000000000000000, -0.0005542500000000 ] - [ -0.0003083900000000, 0.0000000000000000, -0.0003963900000000 ] - [ -0.0007598200000000, 0.0000000000000000, -0.0008949600000000 ] - [ -0.0010212900000000, 0.0000000000000000, 0.0002542300000000 ] - [ -0.0010871700000000, 0.0000000000000000, 0.0000841500000000 ] - [ -0.0008343700000000, 0.0000000000000000, 0.0002986200000000 ] - [ 0.0002530200000000, 0.0000000000000000, 0.0007466000000000 ] - [ 0.0026476500000000, 0.0000000000000000, 0.0002288100000000 ] - [ 0.0010868900000000, 0.0000000000000000, 0.0003317000000000 ] - [ 0.0007429500000000, 0.0000000000000000, -0.0007167800000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0259373800000000, 0.0000000000000000, 0.0171924900000000 ] - [ 0.0023304700000000, 0.0000000000000000, 0.0013965700000000 ] - [ 0.0001794800000000, 0.0000000000000000, -0.0007914700000000 ] - [ 0.0011915300000000, 0.0000000000000000, -0.0000956800000000 ] - [ -0.0019631200000000, 0.0000000000000000, -0.0018814900000000 ] - [ 0.0009970000000000, 0.0000000000000000, 0.0018065800000000 ] - [ -0.0002361900000000, 0.0000000000000000, 0.0003304900000000 ] - [ -0.0009818400000000, 0.0000000000000000, 0.0000822100000000 ] - [ -0.0558309000000000, 0.0000000000000000, -0.1165501800000000 ] - [ 0.0008791000000000, 0.0000000000000000, 0.0005804700000000 ] - [ 0.0008986900000000, 0.0000000000000000, -0.0003222900000000 ] - [ 0.0013833700000000, 0.0000000000000000, -0.0012983900000000 ] - [ -0.0007073400000000, 0.0000000000000000, -0.0006184000000000 ] - [ -0.0004151800000000, 0.0000000000000000, -0.0007187100000000 ] - [ -0.0006000900000000, 0.0000000000000000, 0.0006590100000000 ] - [ -0.0004971200000000, 0.0000000000000000, 0.0007068500000000 ] - [ -0.1573880500000000, 0.1447787800000000, -0.0190014300000000 ] - [ -0.0003435900000000, -0.0003498800000000, -0.0007093400000000 ] - [ -0.0010806800000000, 0.0000072000000000, 0.0009312700000000 ] - [ -0.0007445600000000, 0.0002815000000000, 0.0006928600000000 ] - [ 0.0012350600000000, -0.0001254500000000, 0.0004802500000000 ] - [ 0.0005758700000000, -0.0001293100000000, 0.0008990200000000 ] - [ 0.0008658900000000, 0.0001318300000000, -0.0007669600000000 ] - [ 0.0009430200000000, 0.0001211700000000, -0.0007223900000000 ] - [ 0.0012350600000000, 0.0001254500000000, 0.0004802500000000 ] - [ 0.0005758700000000, 0.0001293100000000, 0.0008990200000000 ] - [ 0.0008658900000000, -0.0001318300000000, -0.0007669600000000 ] - [ 0.0009430200000000, -0.0001211700000000, -0.0007223900000000 ] - [ -0.1573880500000000, -0.1447787800000000, -0.0190014300000000 ] - [ -0.0003435900000000, 0.0003498800000000, -0.0007093400000000 ] - [ -0.0010806800000000, -0.0000072000000000, 0.0009312700000000 ] - [ -0.0007445600000000, -0.0002815000000000, 0.0006928600000000 ] - [ 0.0001070400000000, 0.0000000000000000, -0.0002471100000000 ] - [ -0.0003849600000000, 0.0000000000000000, 0.0003789500000000 ] - [ -0.0002252700000000, 0.0000000000000000, 0.0000750300000000 ] - [ -0.0001738800000000, 0.0000000000000000, 0.0000515200000000 ] - [ -0.0003465700000000, 0.0000000000000000, -0.0000088100000000 ] - [ 0.0006742600000000, 0.0000000000000000, 0.0001886600000000 ] - [ -0.0000004700000000, 0.0000000000000000, -0.0000198300000000 ] - [ 0.0003383900000000, 0.0000000000000000, -0.0001399400000000 ] - [ 0.0001385200000000, 0.0004695900000000, 0.0002071700000000 ] - [ 0.0001998100000000, 0.0003104400000000, 0.0002820800000000 ] - [ 0.0001438000000000, -0.0003535600000000, -0.0003563200000000 ] - [ 0.0002393300000000, -0.0003932600000000, -0.0002079100000000 ] - [ -0.0004035400000000, -0.0001588200000000, 0.0004091700000000 ] - [ 0.0002259400000000, 0.0004370900000000, -0.0004190000000000 ] - [ -0.0001155900000000, -0.0002983000000000, 0.0007163900000000 ] - [ -0.0003174200000000, -0.0005000000000000, -0.0000952300000000 ] - [ -0.0004035400000000, 0.0001588200000000, 0.0004091700000000 ] - [ 0.0002259400000000, -0.0004370900000000, -0.0004190000000000 ] - [ -0.0001155900000000, 0.0002983000000000, 0.0007163900000000 ] - [ -0.0003174200000000, 0.0005000000000000, -0.0000952300000000 ] - [ 0.0001385200000000, -0.0004695900000000, 0.0002071700000000 ] - [ 0.0001998100000000, -0.0003104400000000, 0.0002820800000000 ] - [ 0.0001438000000000, 0.0003535600000000, -0.0003563200000000 ] - [ 0.0002393300000000, 0.0003932600000000, -0.0002079100000000 ] - [ 0.0012214400000000, -0.0000630200000000, -0.0005713300000000 ] - [ 0.0000973700000000, -0.0003468400000000, -0.0005233300000000 ] - [ -0.0031042700000000, 0.0035332200000000, 0.0006418700000000 ] - [ -0.0045391600000000, -0.0031113900000000, -0.0003669100000000 ] - [ -0.0005714100000000, -0.0003192400000000, 0.0006215900000000 ] - [ -0.0004004500000000, -0.0003801500000000, 0.0005965400000000 ] - [ 0.0005920200000000, 0.0007359300000000, -0.0000776100000000 ] - [ -0.0011694600000000, 0.0003028200000000, -0.0009137700000000 ] - [ -0.0005714100000000, 0.0003192400000000, 0.0006215900000000 ] - [ -0.0004004500000000, 0.0003801500000000, 0.0005965400000000 ] - [ 0.0005920200000000, -0.0007359300000000, -0.0000776100000000 ] - [ -0.0011694600000000, -0.0003028200000000, -0.0009137700000000 ] - [ 0.0012214400000000, 0.0000630200000000, -0.0005713300000000 ] - [ 0.0000973700000000, 0.0003468400000000, -0.0005233300000000 ] - [ -0.0031042700000000, -0.0035332200000000, 0.0006418700000000 ] - [ -0.0045391600000000, 0.0031113900000000, -0.0003669100000000 ] - [ 0.4097015800000000, 0.0000000000000000, 0.1357003400000000 ] - [ -0.0007487700000000, 0.0000000000000000, -0.0003909900000000 ] - [ 0.0001892100000000, 0.0000000000000000, -0.0001075400000000 ] - [ 0.0001830700000000, 0.0000000000000000, 0.0007710400000000 ] - [ -0.0005020000000000, 0.0000000000000000, 0.0011096900000000 ] - [ -0.0002307600000000, 0.0000000000000000, -0.0002165500000000 ] - [ -0.0003169900000000, 0.0000000000000000, -0.0003110400000000 ] - [ -0.0005268900000000, 0.0000000000000000, -0.0004750200000000 ] - [ -0.0011370500000000, 0.0000000000000000, 0.0004330800000000 ] - [ -0.0008683400000000, 0.0000000000000000, -0.0007250100000000 ] - [ -0.0008003100000000, 0.0000000000000000, 0.0003916400000000 ] - [ -0.0010565100000000, 0.0000000000000000, 0.0001719300000000 ] - [ 0.0016434900000000, 0.0000000000000000, -0.0002831500000000 ] - [ -0.0007554600000000, 0.0000000000000000, 0.0002405200000000 ] - [ 0.0008016800000000, 0.0000000000000000, -0.0008040800000000 ] - [ 0.0011452200000000, 0.0000000000000000, 0.0002452500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005232300000000, 0.0068162000000000, 0.0003016100000000 ] - [ 0.0006903800000000, 0.0011924500000000, 0.0002243000000000 ] - [ 0.0006898600000000, 0.0010110100000000, -0.0002273300000000 ] - [ 0.0006892000000000, 0.0002242700000000, -0.0002280800000000 ] - [ -0.0007003100000000, -0.0025999800000000, -0.0002346600000000 ] - [ -0.0006890200000000, -0.0014700500000000, -0.0002379400000000 ] - [ -0.0006899300000000, -0.0002238000000000, 0.0002312300000000 ] - [ -0.0006891500000000, -0.0013052200000000, 0.0002336900000000 ] - [ -0.0002424800000000, 0.0469498600000000, -0.0007866100000000 ] - [ 0.0005615600000000, 0.0000794500000000, 0.0006699300000000 ] - [ 0.0005642400000000, 0.0003596500000000, -0.0006694000000000 ] - [ 0.0005632400000000, 0.0002519000000000, -0.0006696400000000 ] - [ -0.0005640200000000, -0.0000250100000000, -0.0006686600000000 ] - [ -0.0005621700000000, -0.0000091000000000, -0.0006690500000000 ] - [ -0.0005617300000000, -0.0003820900000000, 0.0006717200000000 ] - [ -0.0005631400000000, -0.0000537100000000, 0.0006701400000000 ] - [ -0.1727570300000000, 0.2453717600000000, -0.0061958200000000 ] - [ -0.0011826000000000, 0.0002259100000000, -0.0007976400000000 ] - [ -0.0007593200000000, 0.0002488300000000, 0.0008757400000000 ] - [ -0.0009602100000000, 0.0001691100000000, 0.0007499600000000 ] - [ 0.0010214700000000, -0.0002242000000000, 0.0004983800000000 ] - [ 0.0007562500000000, -0.0002935100000000, 0.0006460800000000 ] - [ 0.0007855300000000, 0.0000701100000000, -0.0007626600000000 ] - [ 0.0009304600000000, 0.0000894700000000, -0.0007295500000000 ] - [ 0.0008014500000000, 0.0000297300000000, 0.0009560100000000 ] - [ 0.0010697400000000, -0.0000411700000000, 0.0008086100000000 ] - [ 0.0010368400000000, -0.0001821800000000, -0.0006917600000000 ] - [ 0.0008946800000000, -0.0001610400000000, -0.0007267200000000 ] - [ 0.1592198400000000, 0.2357402500000000, 0.0031798800000000 ] - [ -0.0006411600000000, 0.0004777200000000, -0.0006582900000000 ] - [ -0.0010647800000000, -0.0000014200000000, 0.0005819400000000 ] - [ -0.0008635200000000, -0.0000825600000000, 0.0007070700000000 ] - [ -0.0002008700000000, 0.0001013600000000, -0.0000773500000000 ] - [ -0.0001978700000000, 0.0001593400000000, -0.0000678500000000 ] - [ -0.0002037900000000, 0.0000714700000000, 0.0000782800000000 ] - [ -0.0002003300000000, 0.0000443900000000, 0.0000769900000000 ] - [ 0.0002057600000000, -0.0002137500000000, 0.0000768100000000 ] - [ 0.0002032200000000, -0.0005895500000000, 0.0000766300000000 ] - [ 0.0002010000000000, -0.0001828200000000, -0.0000770000000000 ] - [ 0.0002004400000000, 0.0000023800000000, -0.0000761700000000 ] - [ 0.0000502100000000, 0.0004459500000000, 0.0003886800000000 ] - [ 0.0002121700000000, 0.0004261200000000, 0.0003062100000000 ] - [ 0.0002116300000000, -0.0001375900000000, -0.0004433000000000 ] - [ 0.0001965300000000, -0.0003352800000000, -0.0002920700000000 ] - [ -0.0004531400000000, -0.0001022900000000, -0.0000937400000000 ] - [ -0.0002084700000000, 0.0003041300000000, -0.0001093200000000 ] - [ -0.0002370000000000, -0.0005873100000000, -0.0000187900000000 ] - [ -0.0001092700000000, -0.0005217500000000, 0.0001562200000000 ] - [ 0.0000598400000000, -0.0008671700000000, -0.0004442200000000 ] - [ -0.0001838800000000, -0.0004473200000000, -0.0004160200000000 ] - [ -0.0001537700000000, 0.0001667500000000, 0.0005453700000000 ] - [ -0.0002799300000000, 0.0002334400000000, 0.0003698700000000 ] - [ 0.0003377000000000, -0.0003097000000000, 0.0001370900000000 ] - [ 0.0001778200000000, -0.0003239300000000, 0.0002205200000000 ] - [ 0.0001792700000000, 0.0006150900000000, -0.0000823500000000 ] - [ 0.0001935900000000, 0.0004197500000000, -0.0002339500000000 ] - [ 0.0000346400000000, 0.0009118800000000, 0.0014867500000000 ] - [ 0.0005077100000000, -0.0003579700000000, -0.0005015100000000 ] - [ -0.0036124600000000, 0.0030527300000000, 0.0006205400000000 ] - [ 0.0039910100000000, 0.0016833000000000, 0.0010946200000000 ] - [ -0.0005591000000000, -0.0003493100000000, 0.0005970400000000 ] - [ -0.0003190000000000, -0.0003606400000000, 0.0004953700000000 ] - [ -0.0007447600000000, 0.0022458100000000, -0.0039893200000000 ] - [ -0.0005594100000000, 0.0003484900000000, -0.0008107100000000 ] - [ -0.0004333100000000, 0.0003523900000000, 0.0005667900000000 ] - [ -0.0006756400000000, 0.0003423400000000, 0.0006682200000000 ] - [ -0.0002439600000000, 0.0015211600000000, 0.0027905200000000 ] - [ -0.0004328100000000, -0.0003548300000000, -0.0003492900000000 ] - [ 0.0009602200000000, 0.0016177200000000, -0.0026497000000000 ] - [ 0.0004866300000000, 0.0003446000000000, -0.0006661800000000 ] - [ 0.0046322100000000, 0.0023394200000000, 0.0005478400000000 ] - [ -0.0029576800000000, 0.0009558500000000, 0.0000801700000000 ] - [ 0.0130143500000000, -0.5458598700000000, 0.0025339900000000 ] - [ 0.0004035100000000, -0.0006903400000000, -0.0004239000000000 ] - [ 0.0004020300000000, -0.0003379900000000, 0.0004231600000000 ] - [ 0.0004058700000000, -0.0003382100000000, 0.0004263000000000 ] - [ -0.0003985700000000, 0.0004750000000000, 0.0004253800000000 ] - [ -0.0004053600000000, 0.0004034600000000, 0.0004270700000000 ] - [ -0.0004031400000000, 0.0006352800000000, -0.0004278700000000 ] - [ -0.0004074700000000, 0.0001152800000000, -0.0004280400000000 ] - [ -0.0009340300000000, -0.0004756800000000, -0.0002438700000000 ] - [ -0.0009348100000000, -0.0003539800000000, -0.0002486300000000 ] - [ -0.0009322800000000, -0.0004824400000000, 0.0002478400000000 ] - [ -0.0009361200000000, -0.0001170900000000, 0.0002451600000000 ] - [ 0.0009368800000000, 0.0006493500000000, 0.0002530100000000 ] - [ 0.0009351800000000, 0.0007911900000000, 0.0002500100000000 ] - [ 0.0009347900000000, 0.0003482100000000, -0.0002474500000000 ] - [ 0.0009366200000000, 0.0003205500000000, -0.0002463800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0171224700000000, 0.0000000000000000, 0.0245764100000000 ] - [ 0.0004883500000000, 0.0000000000000000, 0.0008494900000000 ] - [ 0.0012314900000000, 0.0000000000000000, -0.0018629300000000 ] - [ 0.0007287400000000, 0.0000000000000000, -0.0006164200000000 ] - [ 0.0006710300000000, 0.0000000000000000, 0.0021939600000000 ] - [ -0.0006425100000000, 0.0000000000000000, 0.0004118000000000 ] - [ -0.0006183700000000, 0.0000000000000000, -0.0001367500000000 ] - [ 0.0004727100000000, 0.0000000000000000, -0.0011884100000000 ] - [ 0.0838929300000000, 0.0000000000000000, 0.3540570900000000 ] - [ 0.0006095300000000, 0.0000000000000000, 0.0006807800000000 ] - [ 0.0005757900000000, 0.0000000000000000, -0.0005979700000000 ] - [ 0.0016352100000000, 0.0000000000000000, -0.0008268800000000 ] - [ -0.0001899700000000, 0.0000000000000000, -0.0009700700000000 ] - [ -0.0005748100000000, 0.0000000000000000, -0.0008409600000000 ] - [ -0.0006890300000000, 0.0000000000000000, 0.0001627100000000 ] - [ -0.0005289300000000, 0.0000000000000000, 0.0006512900000000 ] - [ 0.0372160400000000, -0.0275696100000000, 0.0388346600000000 ] - [ -0.0009266200000000, -0.0000968500000000, -0.0006974500000000 ] - [ -0.0011827600000000, 0.0000216300000000, 0.0007294400000000 ] - [ -0.0008626800000000, 0.0002717900000000, 0.0007429100000000 ] - [ 0.0009496600000000, -0.0000665600000000, 0.0008247200000000 ] - [ 0.0004008100000000, -0.0002283200000000, 0.0008089800000000 ] - [ 0.0008577500000000, 0.0000454200000000, -0.0011159300000000 ] - [ 0.0009195800000000, 0.0001105600000000, -0.0007557400000000 ] - [ 0.0009496600000000, 0.0000665600000000, 0.0008247200000000 ] - [ 0.0004008100000000, 0.0002283200000000, 0.0008089800000000 ] - [ 0.0008577500000000, -0.0000454200000000, -0.0011159300000000 ] - [ 0.0009195800000000, -0.0001105600000000, -0.0007557400000000 ] - [ 0.0372160400000000, 0.0275696100000000, 0.0388346600000000 ] - [ -0.0009266200000000, 0.0000968500000000, -0.0006974500000000 ] - [ -0.0011827600000000, -0.0000216300000000, 0.0007294400000000 ] - [ -0.0008626800000000, -0.0002717900000000, 0.0007429100000000 ] - [ -0.0002059600000000, 0.0000000000000000, 0.0001274800000000 ] - [ -0.0007438900000000, 0.0000000000000000, -0.0005488000000000 ] - [ -0.0002486700000000, 0.0000000000000000, -0.0001788700000000 ] - [ -0.0001968700000000, 0.0000000000000000, 0.0000147700000000 ] - [ 0.0000958300000000, 0.0000000000000000, 0.0004663100000000 ] - [ 0.0001263300000000, 0.0000000000000000, 0.0001394000000000 ] - [ -0.0000825000000000, 0.0000000000000000, -0.0001278500000000 ] - [ 0.0001830500000000, 0.0000000000000000, -0.0001768600000000 ] - [ 0.0003949300000000, 0.0003957200000000, 0.0000329100000000 ] - [ 0.0001540300000000, 0.0004993500000000, 0.0000806000000000 ] - [ 0.0001230400000000, -0.0001671500000000, -0.0007409900000000 ] - [ 0.0002140200000000, -0.0003855800000000, -0.0002844400000000 ] - [ -0.0003099500000000, 0.0007692400000000, -0.0002503500000000 ] - [ -0.0002002600000000, 0.0003702100000000, -0.0002690900000000 ] - [ -0.0002275900000000, -0.0003396600000000, 0.0003658700000000 ] - [ -0.0000189600000000, -0.0004260700000000, 0.0004103000000000 ] - [ -0.0003099500000000, -0.0007692400000000, -0.0002503500000000 ] - [ -0.0002002600000000, -0.0003702100000000, -0.0002690900000000 ] - [ -0.0002275900000000, 0.0003396600000000, 0.0003658700000000 ] - [ -0.0000189600000000, 0.0004260700000000, 0.0004103000000000 ] - [ 0.0003949300000000, -0.0003957200000000, 0.0000329100000000 ] - [ 0.0001540300000000, -0.0004993500000000, 0.0000806000000000 ] - [ 0.0001230400000000, 0.0001671500000000, -0.0007409900000000 ] - [ 0.0002140200000000, 0.0003855800000000, -0.0002844400000000 ] - [ 0.0001452700000000, 0.0017096300000000, 0.0020263000000000 ] - [ 0.0004048900000000, -0.0003271800000000, -0.0004947700000000 ] - [ 0.0009520300000000, -0.0001157000000000, -0.0002140100000000 ] - [ 0.0004199900000000, 0.0002790500000000, -0.0006115400000000 ] - [ -0.0005902100000000, -0.0003361000000000, 0.0009385700000000 ] - [ -0.0006410600000000, -0.0003482300000000, 0.0011073800000000 ] - [ -0.0011196600000000, -0.0038846400000000, 0.0036354600000000 ] - [ -0.0005876900000000, 0.0003219600000000, -0.0007513600000000 ] - [ -0.0005902100000000, 0.0003361000000000, 0.0009385700000000 ] - [ -0.0006410600000000, 0.0003482300000000, 0.0011073800000000 ] - [ -0.0011196600000000, 0.0038846400000000, 0.0036354600000000 ] - [ -0.0005876900000000, -0.0003219600000000, -0.0007513600000000 ] - [ 0.0001452700000000, -0.0017096300000000, 0.0020263000000000 ] - [ 0.0004048900000000, 0.0003271800000000, -0.0004947700000000 ] - [ 0.0009520300000000, 0.0001157000000000, -0.0002140100000000 ] - [ 0.0004199900000000, -0.0002790500000000, -0.0006115400000000 ] - [ -0.1408082900000000, 0.0000000000000000, -0.4670884300000000 ] - [ 0.0003695800000000, 0.0000000000000000, -0.0005185300000000 ] - [ 0.0007521000000000, 0.0000000000000000, 0.0005485300000000 ] - [ -0.0001347100000000, 0.0000000000000000, 0.0005458800000000 ] - [ -0.0010901100000000, 0.0000000000000000, 0.0002083300000000 ] - [ 0.0002357800000000, 0.0000000000000000, 0.0001635800000000 ] - [ -0.0002908800000000, 0.0000000000000000, 0.0010340500000000 ] - [ -0.0004556400000000, 0.0000000000000000, -0.0003552100000000 ] - [ -0.0016643300000000, 0.0000000000000000, -0.0001101500000000 ] - [ -0.0006993100000000, 0.0000000000000000, -0.0001859600000000 ] - [ -0.0007859600000000, 0.0000000000000000, 0.0012027100000000 ] - [ -0.0009766400000000, 0.0000000000000000, 0.0003280500000000 ] - [ 0.0011060000000000, 0.0000000000000000, -0.0004345900000000 ] - [ 0.0009541200000000, 0.0000000000000000, 0.0001913600000000 ] - [ 0.0011329900000000, 0.0000000000000000, -0.0002209800000000 ] - [ 0.0005190400000000, 0.0000000000000000, -0.0002722000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0195417000000000, 0.0000000000000000, -0.0246391300000000 ] - [ 0.0008828000000000, 0.0000000000000000, -0.0003954200000000 ] - [ 0.0001520600000000, 0.0000000000000000, 0.0013872700000000 ] - [ 0.0006473100000000, 0.0000000000000000, 0.0001514800000000 ] - [ -0.0020355800000000, 0.0000000000000000, -0.0026290700000000 ] - [ -0.0007412300000000, 0.0000000000000000, -0.0008781000000000 ] - [ -0.0007632400000000, 0.0000000000000000, 0.0005908100000000 ] - [ -0.0018511800000000, 0.0000000000000000, 0.0016398900000000 ] - [ -0.0739140100000000, 0.0000000000000000, -0.3306214700000000 ] - [ 0.0005154300000000, 0.0000000000000000, 0.0006591000000000 ] - [ 0.0005419600000000, 0.0000000000000000, -0.0007445100000000 ] - [ -0.0004860200000000, 0.0000000000000000, -0.0005179000000000 ] - [ -0.0009336100000000, 0.0000000000000000, -0.0003730100000000 ] - [ -0.0005520700000000, 0.0000000000000000, -0.0005004500000000 ] - [ -0.0004387700000000, 0.0000000000000000, 0.0011765600000000 ] - [ -0.0005985100000000, 0.0000000000000000, 0.0006895700000000 ] - [ -0.0369580900000000, 0.0254342300000000, -0.0388420600000000 ] - [ -0.0008984300000000, -0.0001545600000000, -0.0007602200000000 ] - [ -0.0006427300000000, 0.0002332500000000, 0.0007210000000000 ] - [ -0.0009613500000000, -0.0000188200000000, 0.0007151000000000 ] - [ 0.0008725800000000, -0.0001849200000000, 0.0006334600000000 ] - [ 0.0014200300000000, -0.0000244500000000, 0.0006468400000000 ] - [ 0.0009666200000000, 0.0002050900000000, -0.0003436400000000 ] - [ 0.0009047200000000, 0.0001391900000000, -0.0007024700000000 ] - [ 0.0008725800000000, 0.0001849200000000, 0.0006334600000000 ] - [ 0.0014200300000000, 0.0000244500000000, 0.0006468400000000 ] - [ 0.0009666200000000, -0.0002050900000000, -0.0003436400000000 ] - [ 0.0009047200000000, -0.0001391900000000, -0.0007024700000000 ] - [ -0.0369580900000000, -0.0254342300000000, -0.0388420600000000 ] - [ -0.0008984300000000, 0.0001545600000000, -0.0007602200000000 ] - [ -0.0006427300000000, -0.0002332500000000, 0.0007210000000000 ] - [ -0.0009613500000000, 0.0000188200000000, 0.0007151000000000 ] - [ -0.0001988200000000, 0.0000000000000000, -0.0002776400000000 ] - [ 0.0003383300000000, 0.0000000000000000, 0.0003988100000000 ] - [ -0.0001579900000000, 0.0000000000000000, 0.0003298200000000 ] - [ -0.0002062400000000, 0.0000000000000000, 0.0001363700000000 ] - [ 0.0003114100000000, 0.0000000000000000, -0.0003108900000000 ] - [ 0.0002775700000000, 0.0000000000000000, 0.0000113500000000 ] - [ 0.0004854000000000, 0.0000000000000000, -0.0000264400000000 ] - [ 0.0002200000000000, 0.0000000000000000, 0.0000237200000000 ] - [ -0.0000041900000000, 0.0003587700000000, 0.0004914300000000 ] - [ 0.0002345900000000, 0.0002536000000000, 0.0004453200000000 ] - [ 0.0002663100000000, -0.0005828500000000, 0.0002078000000000 ] - [ 0.0001753100000000, -0.0003688900000000, -0.0002437300000000 ] - [ -0.0000788500000000, -0.0000005900000000, -0.0002837000000000 ] - [ -0.0001911600000000, 0.0003816400000000, -0.0002586000000000 ] - [ -0.0001630400000000, -0.0004150400000000, 0.0001611800000000 ] - [ -0.0003679200000000, -0.0003285300000000, 0.0001192200000000 ] - [ -0.0000788500000000, 0.0000005900000000, -0.0002837000000000 ] - [ -0.0001911600000000, -0.0003816400000000, -0.0002586000000000 ] - [ -0.0001630400000000, 0.0004150400000000, 0.0001611800000000 ] - [ -0.0003679200000000, 0.0003285300000000, 0.0001192200000000 ] - [ -0.0000041900000000, -0.0003587700000000, 0.0004914300000000 ] - [ 0.0002345900000000, -0.0002536000000000, 0.0004453200000000 ] - [ 0.0002663100000000, 0.0005828500000000, 0.0002078000000000 ] - [ 0.0001753100000000, 0.0003688900000000, -0.0002437300000000 ] - [ 0.0008542400000000, -0.0024201300000000, -0.0031966700000000 ] - [ 0.0005925800000000, -0.0003742800000000, -0.0006735700000000 ] - [ 0.0000484100000000, 0.0008164200000000, 0.0013570700000000 ] - [ 0.0006135800000000, 0.0004452800000000, 0.0017742100000000 ] - [ -0.0004063600000000, -0.0003670400000000, 0.0002313900000000 ] - [ -0.0003548700000000, -0.0003554900000000, 0.0000626800000000 ] - [ 0.0001256400000000, 0.0046108000000000, -0.0048209100000000 ] - [ -0.0004055600000000, 0.0003806700000000, -0.0004138300000000 ] - [ -0.0004063600000000, 0.0003670400000000, 0.0002313900000000 ] - [ -0.0003548700000000, 0.0003554900000000, 0.0000626800000000 ] - [ 0.0001256400000000, -0.0046108000000000, -0.0048209100000000 ] - [ -0.0004055600000000, -0.0003806700000000, -0.0004138300000000 ] - [ 0.0008542400000000, 0.0024201300000000, -0.0031966700000000 ] - [ 0.0005925800000000, 0.0003742800000000, -0.0006735700000000 ] - [ 0.0000484100000000, -0.0008164200000000, 0.0013570700000000 ] - [ 0.0006135800000000, -0.0004452800000000, 0.0017742100000000 ] - [ 0.1274702400000000, 0.0000000000000000, 0.4419070300000000 ] - [ 0.0004601500000000, 0.0000000000000000, -0.0003489900000000 ] - [ 0.0000850200000000, 0.0000000000000000, 0.0003282200000000 ] - [ 0.0009581300000000, 0.0000000000000000, 0.0003274500000000 ] - [ 0.0002598500000000, 0.0000000000000000, 0.0006527800000000 ] - [ -0.0010606100000000, 0.0000000000000000, 0.0007059800000000 ] - [ -0.0005347900000000, 0.0000000000000000, -0.0018967800000000 ] - [ -0.0003763700000000, 0.0000000000000000, -0.0005156200000000 ] - [ -0.0002315000000000, 0.0000000000000000, -0.0003620400000000 ] - [ -0.0011854900000000, 0.0000000000000000, -0.0002895700000000 ] - [ -0.0010976900000000, 0.0000000000000000, -0.0007200400000000 ] - [ -0.0009104900000000, 0.0000000000000000, 0.0001456700000000 ] - [ 0.0007806800000000, 0.0000000000000000, 0.0009061300000000 ] - [ 0.0009396100000000, 0.0000000000000000, 0.0002826500000000 ] - [ 0.0007565700000000, 0.0000000000000000, -0.0002532500000000 ] - [ 0.0013658500000000, 0.0000000000000000, -0.0002049900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0255263100000000, 0.0000000000000000, -0.0173367000000000 ] - [ -0.0004298900000000, 0.0000000000000000, -0.0005767600000000 ] - [ 0.0003004100000000, 0.0000000000000000, -0.0005574000000000 ] - [ 0.0007920800000000, 0.0000000000000000, 0.0004931900000000 ] - [ 0.0016288400000000, 0.0000000000000000, 0.0011516200000000 ] - [ -0.0022419000000000, 0.0000000000000000, -0.0014117500000000 ] - [ -0.0009249500000000, 0.0000000000000000, 0.0004052500000000 ] - [ -0.0009107300000000, 0.0000000000000000, 0.0000844200000000 ] - [ 0.0007725900000000, 0.0000000000000000, 0.0006659100000000 ] - [ 0.0004541700000000, 0.0000000000000000, 0.0006948800000000 ] - [ 0.0005718900000000, 0.0000000000000000, -0.0006590200000000 ] - [ 0.0005267300000000, 0.0000000000000000, -0.0006498300000000 ] - [ -0.0001653300000000, 0.0000000000000000, -0.0008209900000000 ] - [ -0.0008480000000000, 0.0000000000000000, -0.0006305300000000 ] - [ -0.0006471000000000, 0.0000000000000000, 0.0002011200000000 ] - [ -0.0005233900000000, 0.0000000000000000, 0.0008339900000000 ] - [ -0.0011705800000000, -0.0001001100000000, -0.0005424700000000 ] - [ -0.0007690600000000, -0.0000899300000000, -0.0007877200000000 ] - [ -0.0007908600000000, 0.0000999300000000, 0.0007715500000000 ] - [ -0.0009832900000000, 0.0001198400000000, 0.0007293500000000 ] - [ 0.0009468700000000, 0.0002400400000000, 0.0006355600000000 ] - [ 0.0001554900000000, -0.0002636400000000, 0.0006900400000000 ] - [ 0.0012191400000000, 0.0000821200000000, -0.0008720700000000 ] - [ 0.0007328700000000, 0.0001495600000000, -0.0006596300000000 ] - [ 0.0009468700000000, -0.0002400400000000, 0.0006355600000000 ] - [ 0.0001554900000000, 0.0002636400000000, 0.0006900400000000 ] - [ 0.0012191400000000, -0.0000821200000000, -0.0008720700000000 ] - [ 0.0007328700000000, -0.0001495600000000, -0.0006596300000000 ] - [ -0.0011705800000000, 0.0001001100000000, -0.0005424700000000 ] - [ -0.0007690600000000, 0.0000899300000000, -0.0007877200000000 ] - [ -0.0007908600000000, -0.0000999300000000, 0.0007715500000000 ] - [ -0.0009832900000000, -0.0001198400000000, 0.0007293500000000 ] - [ 0.3466706000000000, 0.0000000000000000, 0.0903981100000000 ] - [ -0.0005540200000000, 0.0000000000000000, -0.0001029400000000 ] - [ 0.0000245800000000, 0.0000000000000000, -0.0002703900000000 ] - [ -0.0004133900000000, 0.0000000000000000, 0.0000688800000000 ] - [ -0.0000980200000000, 0.0000000000000000, 0.0004311100000000 ] - [ 0.0003637400000000, 0.0000000000000000, -0.0000783600000000 ] - [ 0.0003417300000000, 0.0000000000000000, -0.0000007800000000 ] - [ 0.0001461600000000, 0.0000000000000000, -0.0000815200000000 ] - [ 0.0380651700000000, -0.0229900700000000, 0.0350153100000000 ] - [ -0.0000858200000000, 0.0004107700000000, 0.0002796500000000 ] - [ -0.0000725400000000, -0.0004106500000000, -0.0007457700000000 ] - [ -0.0002108200000000, -0.0001644300000000, 0.0000509500000000 ] - [ -0.0001051800000000, 0.0004243200000000, -0.0002424000000000 ] - [ -0.0002631900000000, 0.0003334700000000, -0.0002396100000000 ] - [ -0.0002040800000000, -0.0003759500000000, 0.0002313200000000 ] - [ -0.0002201600000000, -0.0003771200000000, 0.0002717400000000 ] - [ -0.0001051800000000, -0.0004243200000000, -0.0002424000000000 ] - [ -0.0002631900000000, -0.0003334700000000, -0.0002396100000000 ] - [ -0.0002040800000000, 0.0003759500000000, 0.0002313200000000 ] - [ -0.0002201600000000, 0.0003771200000000, 0.0002717400000000 ] - [ 0.0380651700000000, 0.0229900700000000, 0.0350153100000000 ] - [ -0.0000858200000000, -0.0004107700000000, 0.0002796500000000 ] - [ -0.0000725400000000, 0.0004106500000000, -0.0007457700000000 ] - [ -0.0002108200000000, 0.0001644300000000, 0.0000509500000000 ] - [ 0.0004437200000000, -0.0003885300000000, -0.0005874700000000 ] - [ 0.0005541700000000, -0.0003311400000000, -0.0006506200000000 ] - [ -0.0002956400000000, -0.0000370600000000, 0.0009296100000000 ] - [ 0.0010493100000000, 0.0003712500000000, 0.0007259900000000 ] - [ -0.0013574300000000, -0.0007712200000000, -0.0000742200000000 ] - [ -0.0001789800000000, -0.0003501100000000, 0.0006330000000000 ] - [ 0.0036678100000000, -0.0037111100000000, -0.0011819200000000 ] - [ 0.0019079000000000, 0.0023026100000000, 0.0001594500000000 ] - [ -0.0013574300000000, 0.0007712200000000, -0.0000742200000000 ] - [ -0.0001789800000000, 0.0003501100000000, 0.0006330000000000 ] - [ 0.0036678100000000, 0.0037111100000000, -0.0011819200000000 ] - [ 0.0019079000000000, -0.0023026100000000, 0.0001594500000000 ] - [ 0.0004437200000000, 0.0003885300000000, -0.0005874700000000 ] - [ 0.0005541700000000, 0.0003311400000000, -0.0006506200000000 ] - [ -0.0002956400000000, 0.0000370600000000, 0.0009296100000000 ] - [ 0.0010493100000000, -0.0003712500000000, 0.0007259900000000 ] - [ 0.0006149900000000, 0.0000000000000000, -0.0011665500000000 ] - [ 0.0003550700000000, 0.0000000000000000, -0.0001979600000000 ] - [ 0.0002846600000000, 0.0000000000000000, 0.0002924700000000 ] - [ 0.0005399300000000, 0.0000000000000000, 0.0004801600000000 ] - [ -0.0011205700000000, 0.0000000000000000, 0.0006090000000000 ] - [ 0.0012762500000000, 0.0000000000000000, 0.0004528000000000 ] - [ -0.0006286400000000, 0.0000000000000000, -0.0000213200000000 ] - [ -0.0002863000000000, 0.0000000000000000, -0.0006340800000000 ] - [ -0.4580071800000000, 0.0000000000000000, -0.1414037100000000 ] - [ -0.0001550800000000, 0.0000000000000000, -0.0002408100000000 ] - [ -0.0005639300000000, 0.0000000000000000, 0.0010722200000000 ] - [ -0.0005596500000000, 0.0000000000000000, -0.0001967000000000 ] - [ 0.0007645500000000, 0.0000000000000000, -0.0004112300000000 ] - [ 0.0010813800000000, 0.0000000000000000, 0.0005603600000000 ] - [ 0.0009433100000000, 0.0000000000000000, -0.0003245200000000 ] - [ 0.0010284400000000, 0.0000000000000000, -0.0002009400000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0247318400000000, 0.0000000000000000, 0.0188692400000000 ] - [ 0.0017903900000000, 0.0000000000000000, 0.0010323300000000 ] - [ 0.0010782300000000, 0.0000000000000000, 0.0000975900000000 ] - [ 0.0005963400000000, 0.0000000000000000, -0.0009476400000000 ] - [ -0.0029822800000000, 0.0000000000000000, -0.0015963200000000 ] - [ 0.0008567500000000, 0.0000000000000000, 0.0009551300000000 ] - [ -0.0004451400000000, 0.0000000000000000, 0.0000467600000000 ] - [ -0.0004710600000000, 0.0000000000000000, 0.0003725800000000 ] - [ 0.0003570700000000, 0.0000000000000000, 0.0006724000000000 ] - [ 0.0006718800000000, 0.0000000000000000, 0.0006426500000000 ] - [ 0.0005553400000000, 0.0000000000000000, -0.0006805600000000 ] - [ 0.0005998800000000, 0.0000000000000000, -0.0006889000000000 ] - [ -0.0009566100000000, 0.0000000000000000, -0.0005154300000000 ] - [ -0.0002791700000000, 0.0000000000000000, -0.0007077800000000 ] - [ -0.0004800500000000, 0.0000000000000000, 0.0011357600000000 ] - [ -0.0006037100000000, 0.0000000000000000, 0.0005082300000000 ] - [ -0.0006533600000000, -0.0001521700000000, -0.0009128300000000 ] - [ -0.0010548800000000, -0.0001684200000000, -0.0006775000000000 ] - [ -0.0010307500000000, 0.0001527100000000, 0.0006844900000000 ] - [ -0.0008396200000000, 0.0001321400000000, 0.0007279600000000 ] - [ 0.0008688900000000, -0.0004787400000000, 0.0008206700000000 ] - [ 0.0016628800000000, 0.0000107800000000, 0.0007675600000000 ] - [ 0.0006042900000000, 0.0001695600000000, -0.0005858100000000 ] - [ 0.0010889500000000, 0.0001007400000000, -0.0007975400000000 ] - [ 0.0008688900000000, 0.0004787400000000, 0.0008206700000000 ] - [ 0.0016628800000000, -0.0000107800000000, 0.0007675600000000 ] - [ 0.0006042900000000, -0.0001695600000000, -0.0005858100000000 ] - [ 0.0010889500000000, -0.0001007400000000, -0.0007975400000000 ] - [ -0.0006533600000000, 0.0001521700000000, -0.0009128300000000 ] - [ -0.0010548800000000, 0.0001684200000000, -0.0006775000000000 ] - [ -0.0010307500000000, -0.0001527100000000, 0.0006844900000000 ] - [ -0.0008396200000000, -0.0001321400000000, 0.0007279600000000 ] - [ -0.3257744200000000, 0.0000000000000000, -0.0811218500000000 ] - [ 0.0001430900000000, 0.0000000000000000, -0.0000505800000000 ] - [ -0.0004322700000000, 0.0000000000000000, 0.0004240700000000 ] - [ 0.0000058200000000, 0.0000000000000000, 0.0000819800000000 ] - [ 0.0005025300000000, 0.0000000000000000, -0.0002755400000000 ] - [ 0.0000451000000000, 0.0000000000000000, 0.0002299300000000 ] - [ 0.0000647100000000, 0.0000000000000000, -0.0001537800000000 ] - [ 0.0002594500000000, 0.0000000000000000, -0.0000713900000000 ] - [ -0.0363990100000000, 0.0217583600000000, -0.0322720100000000 ] - [ 0.0004731600000000, 0.0003392400000000, 0.0002509100000000 ] - [ 0.0004617400000000, -0.0003390300000000, 0.0002124200000000 ] - [ 0.0005921500000000, -0.0005822600000000, -0.0005737400000000 ] - [ -0.0002815400000000, 0.0003285100000000, -0.0002867200000000 ] - [ -0.0001266300000000, 0.0004174700000000, -0.0002904700000000 ] - [ -0.0001855700000000, -0.0003774600000000, 0.0002957800000000 ] - [ -0.0001690500000000, -0.0003755000000000, 0.0002570900000000 ] - [ -0.0002815400000000, -0.0003285100000000, -0.0002867200000000 ] - [ -0.0001266300000000, -0.0004174700000000, -0.0002904700000000 ] - [ -0.0001855700000000, 0.0003774600000000, 0.0002957800000000 ] - [ -0.0001690500000000, 0.0003755000000000, 0.0002570900000000 ] - [ -0.0363990100000000, -0.0217583600000000, -0.0322720100000000 ] - [ 0.0004731600000000, -0.0003392400000000, 0.0002509100000000 ] - [ 0.0004617400000000, 0.0003390300000000, 0.0002124200000000 ] - [ 0.0005921500000000, 0.0005822600000000, -0.0005737400000000 ] - [ 0.0005526400000000, -0.0003141000000000, -0.0005793300000000 ] - [ 0.0004409200000000, -0.0003699000000000, -0.0005154400000000 ] - [ 0.0012691700000000, 0.0007382700000000, 0.0002398600000000 ] - [ -0.0000489100000000, 0.0003307400000000, 0.0004412000000000 ] - [ 0.0003463100000000, 0.0000875900000000, 0.0012744500000000 ] - [ -0.0008149800000000, -0.0003532800000000, 0.0005357500000000 ] - [ -0.0046817900000000, 0.0044333700000000, 0.0000163700000000 ] - [ -0.0029087400000000, -0.0016094200000000, -0.0013234900000000 ] - [ 0.0003463100000000, -0.0000875900000000, 0.0012744500000000 ] - [ -0.0008149800000000, 0.0003532800000000, 0.0005357500000000 ] - [ -0.0046817900000000, -0.0044333700000000, 0.0000163700000000 ] - [ -0.0029087400000000, 0.0016094200000000, -0.0013234900000000 ] - [ 0.0005526400000000, 0.0003141000000000, -0.0005793300000000 ] - [ 0.0004409200000000, 0.0003699000000000, -0.0005154400000000 ] - [ 0.0012691700000000, -0.0007382700000000, 0.0002398600000000 ] - [ -0.0000489100000000, -0.0003307400000000, 0.0004412000000000 ] - [ 0.0002155200000000, 0.0000000000000000, 0.0002885800000000 ] - [ 0.0004767400000000, 0.0000000000000000, -0.0006587100000000 ] - [ 0.0005459900000000, 0.0000000000000000, 0.0005796300000000 ] - [ 0.0002956000000000, 0.0000000000000000, 0.0003924300000000 ] - [ 0.0002950200000000, 0.0000000000000000, 0.0002576900000000 ] - [ -0.0021014900000000, 0.0000000000000000, 0.0004148200000000 ] - [ -0.0002028800000000, 0.0000000000000000, -0.0008460700000000 ] - [ -0.0005508600000000, 0.0000000000000000, -0.0002393500000000 ] - [ 0.4329606300000000, 0.0000000000000000, 0.1259206000000000 ] - [ -0.0017267500000000, 0.0000000000000000, -0.0002298700000000 ] - [ -0.0013224400000000, 0.0000000000000000, -0.0005974200000000 ] - [ -0.0013242500000000, 0.0000000000000000, 0.0006589400000000 ] - [ 0.0011204000000000, 0.0000000000000000, 0.0008741400000000 ] - [ 0.0008078900000000, 0.0000000000000000, -0.0000872200000000 ] - [ 0.0009461800000000, 0.0000000000000000, -0.0001379000000000 ] - [ 0.0008621600000000, 0.0000000000000000, -0.0002684500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007605100000000, 0.0068851000000000, 0.0000693600000000 ] - [ 0.0006908800000000, 0.0009792000000000, 0.0002286700000000 ] - [ 0.0006913000000000, 0.0002423200000000, -0.0002263200000000 ] - [ 0.0006915400000000, 0.0011021800000000, -0.0002309300000000 ] - [ -0.0006921900000000, -0.0025636500000000, -0.0002425600000000 ] - [ -0.0006843300000000, -0.0012806000000000, -0.0002300400000000 ] - [ -0.0006825700000000, -0.0013986900000000, 0.0002283400000000 ] - [ -0.0006895700000000, -0.0002364400000000, 0.0002316200000000 ] - [ 0.0005619600000000, 0.0000835900000000, 0.0006712200000000 ] - [ 0.0005616200000000, -0.0000124900000000, 0.0006693900000000 ] - [ 0.0005623300000000, 0.0003133100000000, -0.0006694300000000 ] - [ 0.0005619800000000, 0.0000443000000000, -0.0006696100000000 ] - [ -0.0005630500000000, -0.0001990000000000, -0.0006669300000000 ] - [ -0.0005613900000000, -0.0000780400000000, -0.0006689300000000 ] - [ -0.0005619000000000, -0.0002613900000000, 0.0006710600000000 ] - [ -0.0005626100000000, -0.0002373800000000, 0.0006705400000000 ] - [ -0.0007971800000000, -0.0000488100000000, -0.0008743900000000 ] - [ -0.0011908500000000, 0.0001108500000000, -0.0009322200000000 ] - [ -0.0010142100000000, 0.0002124700000000, 0.0007007900000000 ] - [ -0.0008880500000000, 0.0001644400000000, 0.0007236800000000 ] - [ 0.0010673400000000, -0.0006121600000000, 0.0004711000000000 ] - [ 0.0006252500000000, -0.0003951200000000, 0.0006727400000000 ] - [ 0.0010531400000000, 0.0000021800000000, -0.0006960700000000 ] - [ 0.0008604700000000, 0.0000839600000000, -0.0007086000000000 ] - [ 0.0007453700000000, -0.0003720400000000, 0.0009805200000000 ] - [ 0.0012036800000000, -0.0001434900000000, 0.0007821400000000 ] - [ 0.0007676100000000, -0.0002505100000000, -0.0007574700000000 ] - [ 0.0009655000000000, -0.0001669900000000, -0.0007471800000000 ] - [ -0.0010265100000000, 0.0002012600000000, -0.0005833800000000 ] - [ -0.0006302400000000, 0.0003626800000000, -0.0005208000000000 ] - [ -0.0008114700000000, -0.0000402400000000, 0.0007537300000000 ] - [ -0.0009346500000000, -0.0000883700000000, 0.0007321300000000 ] - [ -0.0016313900000000, 0.0469100300000000, -0.0009178200000000 ] - [ -0.0002026500000000, 0.0002452300000000, -0.0000789000000000 ] - [ -0.0002046900000000, 0.0001363900000000, 0.0000835000000000 ] - [ -0.0002002600000000, -0.0000113600000000, 0.0000770700000000 ] - [ 0.0002030900000000, -0.0000382700000000, 0.0000761800000000 ] - [ 0.0002037500000000, -0.0004044500000000, 0.0000777700000000 ] - [ 0.0002003900000000, -0.0000919000000000, -0.0000785300000000 ] - [ 0.0002009500000000, -0.0000461500000000, -0.0000770000000000 ] - [ -0.0002423500000000, 0.2468607700000000, -0.1728460900000000 ] - [ 0.0001578000000000, 0.0004460000000000, 0.0003428800000000 ] - [ 0.0002093800000000, -0.0002216100000000, -0.0004130900000000 ] - [ 0.0003084700000000, -0.0002412500000000, -0.0003738900000000 ] - [ -0.0004182900000000, 0.0002921600000000, -0.0001429400000000 ] - [ -0.0001287800000000, 0.0003166400000000, -0.0002131700000000 ] - [ -0.0002018400000000, -0.0007430300000000, -0.0001652100000000 ] - [ -0.0001911100000000, -0.0004121300000000, 0.0002463500000000 ] - [ 0.0000259600000000, -0.0004596500000000, -0.0003824000000000 ] - [ -0.0002620200000000, -0.0004335300000000, -0.0003143700000000 ] - [ -0.0001885100000000, 0.0000124700000000, 0.0006905800000000 ] - [ -0.0001993500000000, 0.0003429400000000, 0.0002779800000000 ] - [ -0.0005522900000000, 0.2361920600000000, 0.1615782900000000 ] - [ 0.0002348800000000, -0.0003037300000000, 0.0001856600000000 ] - [ 0.0001878400000000, 0.0005239100000000, -0.0001118600000000 ] - [ 0.0000824000000000, 0.0005133200000000, -0.0001503500000000 ] - [ 0.0004044700000000, -0.0003600600000000, -0.0005559300000000 ] - [ 0.0006979000000000, -0.0003629800000000, -0.0006647800000000 ] - [ 0.0005645800000000, 0.0030105300000000, -0.0034622800000000 ] - [ 0.0004389200000000, 0.0003312000000000, 0.0004187200000000 ] - [ -0.0009816100000000, 0.0010929900000000, 0.0039606600000000 ] - [ -0.0004894000000000, -0.0003514400000000, 0.0006411400000000 ] - [ -0.0038808700000000, 0.0022357600000000, -0.0008168800000000 ] - [ 0.0015785800000000, 0.0017367000000000, -0.0002552000000000 ] - [ -0.0000180800000000, 0.0017697000000000, -0.0027541400000000 ] - [ -0.0005086000000000, 0.0003517000000000, 0.0005252600000000 ] - [ 0.0028517200000000, 0.0015130900000000, -0.0003452100000000 ] - [ -0.0025717400000000, 0.0010378900000000, -0.0009094700000000 ] - [ 0.0005937900000000, 0.0003415000000000, -0.0006131700000000 ] - [ 0.0002959700000000, 0.0003390600000000, -0.0005022400000000 ] - [ 0.0004361000000000, 0.0022969800000000, 0.0046541300000000 ] - [ 0.0005550300000000, -0.0003720900000000, 0.0007487500000000 ] - [ 0.0004043300000000, -0.0004757300000000, -0.0004238200000000 ] - [ 0.0003944800000000, -0.0003542300000000, -0.0004197400000000 ] - [ 0.0003989500000000, -0.0004827100000000, 0.0004221200000000 ] - [ 0.0004004300000000, -0.0001173400000000, 0.0004225900000000 ] - [ -0.0003939300000000, 0.0006497300000000, 0.0004260600000000 ] - [ -0.0004031300000000, 0.0007918700000000, 0.0004209700000000 ] - [ -0.0003969800000000, 0.0003204400000000, -0.0004226300000000 ] - [ -0.0004038800000000, 0.0003485900000000, -0.0004241100000000 ] - [ 0.0016385400000000, -0.5481037800000000, 0.0124702600000000 ] - [ -0.0009273900000000, -0.0003765200000000, -0.0002568100000000 ] - [ -0.0009305400000000, -0.0002756100000000, 0.0002506700000000 ] - [ -0.0009319400000000, -0.0002758100000000, 0.0002511000000000 ] - [ 0.0009291300000000, 0.0004591200000000, 0.0002569700000000 ] - [ 0.0009249300000000, 0.0004476700000000, 0.0002569700000000 ] - [ 0.0009279900000000, 0.0009384000000000, -0.0002506500000000 ] - [ 0.0009311200000000, 0.0001081100000000, -0.0002521300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0174168100000000, 0.0000000000000000, 0.0269358100000000 ] - [ 0.0005322800000000, 0.0000000000000000, 0.0005673900000000 ] - [ 0.0006149700000000, 0.0000000000000000, -0.0005632500000000 ] - [ 0.0016078700000000, 0.0000000000000000, -0.0020723200000000 ] - [ 0.0009260700000000, 0.0000000000000000, 0.0010557800000000 ] - [ -0.0006732500000000, 0.0000000000000000, 0.0000629200000000 ] - [ 0.0011611300000000, 0.0000000000000000, -0.0014724400000000 ] - [ -0.0007577800000000, 0.0000000000000000, -0.0000821500000000 ] - [ 0.0007343000000000, 0.0000000000000000, 0.0003951400000000 ] - [ 0.0005707100000000, 0.0000000000000000, 0.0004239800000000 ] - [ 0.0005275700000000, 0.0000000000000000, -0.0010251200000000 ] - [ 0.0005863600000000, 0.0000000000000000, -0.0007389500000000 ] - [ -0.0005415100000000, 0.0000000000000000, -0.0001368000000000 ] - [ -0.0005559300000000, 0.0000000000000000, -0.0005962700000000 ] - [ -0.0005266100000000, 0.0000000000000000, 0.0008607300000000 ] - [ -0.0003744500000000, 0.0000000000000000, 0.0009388600000000 ] - [ -0.0008463200000000, -0.0002174700000000, -0.0006583700000000 ] - [ -0.0013866600000000, -0.0001166700000000, -0.0008506800000000 ] - [ -0.0010156800000000, 0.0002028800000000, 0.0003790700000000 ] - [ -0.0008577200000000, 0.0001442300000000, 0.0006979100000000 ] - [ 0.0002731400000000, 0.0004263900000000, 0.0009081100000000 ] - [ 0.0009194900000000, -0.0000952500000000, 0.0007400900000000 ] - [ 0.0004728100000000, 0.0002224800000000, -0.0006818900000000 ] - [ 0.0009693700000000, 0.0001002800000000, -0.0007734300000000 ] - [ 0.0002731400000000, -0.0004263900000000, 0.0009081100000000 ] - [ 0.0009194900000000, 0.0000952500000000, 0.0007400900000000 ] - [ 0.0004728100000000, -0.0002224800000000, -0.0006818900000000 ] - [ 0.0009693700000000, -0.0001002800000000, -0.0007734300000000 ] - [ -0.0008463200000000, 0.0002174700000000, -0.0006583700000000 ] - [ -0.0013866600000000, 0.0001166700000000, -0.0008506800000000 ] - [ -0.0010156800000000, -0.0002028800000000, 0.0003790700000000 ] - [ -0.0008577200000000, -0.0001442300000000, 0.0006979100000000 ] - [ 0.1243523400000000, 0.0000000000000000, 0.0602175100000000 ] - [ -0.0001582600000000, 0.0000000000000000, -0.0000367600000000 ] - [ -0.0005362400000000, 0.0000000000000000, -0.0001372700000000 ] - [ -0.0001412100000000, 0.0000000000000000, 0.0000248600000000 ] - [ 0.0001477100000000, 0.0000000000000000, 0.0002159900000000 ] - [ -0.0001918800000000, 0.0000000000000000, 0.0001746900000000 ] - [ 0.0000250900000000, 0.0000000000000000, -0.0005016100000000 ] - [ 0.0002395300000000, 0.0000000000000000, -0.0001092500000000 ] - [ 0.0136336000000000, -0.1387917500000000, 0.1565333700000000 ] - [ 0.0002038800000000, 0.0003740000000000, 0.0003567100000000 ] - [ 0.0000434800000000, -0.0005122500000000, -0.0000931300000000 ] - [ 0.0007553700000000, -0.0006650900000000, -0.0001401900000000 ] - [ 0.0000509500000000, 0.0003916000000000, -0.0005241800000000 ] - [ -0.0002728100000000, 0.0003192500000000, -0.0004954100000000 ] - [ -0.0002583200000000, -0.0005600000000000, -0.0004339100000000 ] - [ -0.0001837300000000, -0.0003825500000000, 0.0001890300000000 ] - [ 0.0000509500000000, -0.0003916000000000, -0.0005241800000000 ] - [ -0.0002728100000000, -0.0003192500000000, -0.0004954100000000 ] - [ -0.0002583200000000, 0.0005600000000000, -0.0004339100000000 ] - [ -0.0001837300000000, 0.0003825500000000, 0.0001890300000000 ] - [ 0.0136336000000000, 0.1387917500000000, 0.1565333700000000 ] - [ 0.0002038800000000, -0.0003740000000000, 0.0003567100000000 ] - [ 0.0000434800000000, 0.0005122500000000, -0.0000931300000000 ] - [ 0.0007553700000000, 0.0006650900000000, -0.0001401900000000 ] - [ 0.0004941600000000, -0.0003613700000000, -0.0002199000000000 ] - [ 0.0001936700000000, -0.0003474100000000, 0.0000428500000000 ] - [ 0.0004256800000000, -0.0028062600000000, 0.0041305500000000 ] - [ 0.0004395400000000, 0.0003071300000000, 0.0005718400000000 ] - [ -0.0013359500000000, 0.0029638600000000, 0.0052791200000000 ] - [ -0.0005506100000000, -0.0003326900000000, 0.0005784600000000 ] - [ -0.0008444800000000, -0.0001118200000000, -0.0015982600000000 ] - [ -0.0002623200000000, 0.0002878800000000, -0.0012653800000000 ] - [ -0.0013359500000000, -0.0029638600000000, 0.0052791200000000 ] - [ -0.0005506100000000, 0.0003326900000000, 0.0005784600000000 ] - [ -0.0008444800000000, 0.0001118200000000, -0.0015982600000000 ] - [ -0.0002623200000000, -0.0002878800000000, -0.0012653800000000 ] - [ 0.0004941600000000, 0.0003613700000000, -0.0002199000000000 ] - [ 0.0001936700000000, 0.0003474100000000, 0.0000428500000000 ] - [ 0.0004256800000000, 0.0028062600000000, 0.0041305500000000 ] - [ 0.0004395400000000, -0.0003071300000000, 0.0005718400000000 ] - [ -0.0002576000000000, 0.0000000000000000, -0.0003001200000000 ] - [ 0.0008877700000000, 0.0000000000000000, -0.0003657500000000 ] - [ 0.0005545800000000, 0.0000000000000000, 0.0013830700000000 ] - [ 0.0003421500000000, 0.0000000000000000, 0.0005160100000000 ] - [ 0.0001136600000000, 0.0000000000000000, -0.0002495900000000 ] - [ -0.0004054300000000, 0.0000000000000000, 0.0003763100000000 ] - [ 0.0000766600000000, 0.0000000000000000, -0.0004561700000000 ] - [ -0.0009752200000000, 0.0000000000000000, -0.0004101200000000 ] - [ -0.1328883900000000, 0.0000000000000000, -0.4125794700000000 ] - [ -0.0009485300000000, 0.0000000000000000, -0.0003851100000000 ] - [ -0.0005168500000000, 0.0000000000000000, 0.0003266300000000 ] - [ -0.0017819400000000, 0.0000000000000000, 0.0003214800000000 ] - [ 0.0003053200000000, 0.0000000000000000, 0.0002471400000000 ] - [ 0.0012693100000000, 0.0000000000000000, 0.0002937900000000 ] - [ 0.0010382000000000, 0.0000000000000000, 0.0016598500000000 ] - [ 0.0009132400000000, 0.0000000000000000, -0.0001241400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0177211100000000, 0.0000000000000000, -0.0256452400000000 ] - [ 0.0008355400000000, 0.0000000000000000, -0.0001114300000000 ] - [ 0.0007664200000000, 0.0000000000000000, 0.0001083400000000 ] - [ -0.0002233600000000, 0.0000000000000000, 0.0016254300000000 ] - [ -0.0022924000000000, 0.0000000000000000, -0.0015104400000000 ] - [ -0.0007085100000000, 0.0000000000000000, -0.0005209000000000 ] - [ -0.0025366700000000, 0.0000000000000000, 0.0019303800000000 ] - [ -0.0006239400000000, 0.0000000000000000, 0.0005414600000000 ] - [ 0.0003923600000000, 0.0000000000000000, 0.0009429100000000 ] - [ 0.0005541600000000, 0.0000000000000000, 0.0009118900000000 ] - [ 0.0005992800000000, 0.0000000000000000, -0.0003113800000000 ] - [ 0.0005395500000000, 0.0000000000000000, -0.0005969700000000 ] - [ -0.0005833300000000, 0.0000000000000000, -0.0012013700000000 ] - [ -0.0005705700000000, 0.0000000000000000, -0.0007393100000000 ] - [ -0.0005998800000000, 0.0000000000000000, 0.0004732400000000 ] - [ -0.0007527100000000, 0.0000000000000000, 0.0004000300000000 ] - [ -0.0009759300000000, -0.0000355700000000, -0.0007976100000000 ] - [ -0.0004325800000000, -0.0001405900000000, -0.0006090200000000 ] - [ -0.0008057300000000, 0.0000505300000000, 0.0010784500000000 ] - [ -0.0009637900000000, 0.0001092600000000, 0.0007598900000000 ] - [ 0.0015455200000000, -0.0006693800000000, 0.0005485100000000 ] - [ 0.0008976600000000, -0.0001592800000000, 0.0007177200000000 ] - [ 0.0013493500000000, 0.0000300900000000, -0.0007748800000000 ] - [ 0.0008517500000000, 0.0001516600000000, -0.0006831200000000 ] - [ 0.0015455200000000, 0.0006693800000000, 0.0005485100000000 ] - [ 0.0008976600000000, 0.0001592800000000, 0.0007177200000000 ] - [ 0.0013493500000000, -0.0000300900000000, -0.0007748800000000 ] - [ 0.0008517500000000, -0.0001516600000000, -0.0006831200000000 ] - [ -0.0009759300000000, 0.0000355700000000, -0.0007976100000000 ] - [ -0.0004325800000000, 0.0001405900000000, -0.0006090200000000 ] - [ -0.0008057300000000, -0.0000505300000000, 0.0010784500000000 ] - [ -0.0009637900000000, -0.0001092600000000, 0.0007598900000000 ] - [ -0.1243303900000000, 0.0000000000000000, -0.0621515900000000 ] - [ -0.0002548200000000, 0.0000000000000000, -0.0001176600000000 ] - [ 0.0001274100000000, 0.0000000000000000, 0.0002977100000000 ] - [ -0.0002676200000000, 0.0000000000000000, 0.0001279400000000 ] - [ 0.0002594200000000, 0.0000000000000000, -0.0000617600000000 ] - [ 0.0006023900000000, 0.0000000000000000, -0.0000213800000000 ] - [ 0.0003829500000000, 0.0000000000000000, 0.0003484500000000 ] - [ 0.0001683500000000, 0.0000000000000000, -0.0000435900000000 ] - [ -0.0145207800000000, 0.1468442300000000, -0.1586937000000000 ] - [ 0.0001843600000000, 0.0003745500000000, 0.0001749000000000 ] - [ 0.0003496600000000, -0.0002336400000000, -0.0004392400000000 ] - [ -0.0003737500000000, -0.0000811100000000, -0.0003869900000000 ] - [ -0.0004395500000000, 0.0003598300000000, -0.0000043700000000 ] - [ -0.0001169400000000, 0.0004306000000000, -0.0000345200000000 ] - [ -0.0001307300000000, -0.0001925300000000, 0.0009629200000000 ] - [ -0.0002057400000000, -0.0003683500000000, 0.0003418000000000 ] - [ -0.0004395500000000, -0.0003598300000000, -0.0000043700000000 ] - [ -0.0001169400000000, -0.0004306000000000, -0.0000345200000000 ] - [ -0.0001307300000000, 0.0001925300000000, 0.0009629200000000 ] - [ -0.0002057400000000, 0.0003683500000000, 0.0003418000000000 ] - [ -0.0145207800000000, -0.1468442300000000, -0.1586937000000000 ] - [ 0.0001843600000000, -0.0003745500000000, 0.0001749000000000 ] - [ 0.0003496600000000, 0.0002336400000000, -0.0004392400000000 ] - [ -0.0003737500000000, 0.0000811100000000, -0.0003869900000000 ] - [ 0.0005029600000000, -0.0003411500000000, -0.0009483600000000 ] - [ 0.0008019100000000, -0.0003547700000000, -0.0012106600000000 ] - [ 0.0005648600000000, 0.0034823200000000, -0.0029303800000000 ] - [ 0.0005589700000000, 0.0003959700000000, 0.0005953000000000 ] - [ 0.0003323400000000, -0.0036675300000000, -0.0040940600000000 ] - [ -0.0004449100000000, -0.0003715400000000, 0.0005901100000000 ] - [ -0.0001331000000000, 0.0007926900000000, 0.0004436600000000 ] - [ -0.0007398100000000, 0.0004077500000000, 0.0001013600000000 ] - [ 0.0003323400000000, 0.0036675300000000, -0.0040940600000000 ] - [ -0.0004449100000000, 0.0003715400000000, 0.0005901100000000 ] - [ -0.0001331000000000, -0.0007926900000000, 0.0004436600000000 ] - [ -0.0007398100000000, -0.0004077500000000, 0.0001013600000000 ] - [ 0.0005029600000000, 0.0003411500000000, -0.0009483600000000 ] - [ 0.0008019100000000, 0.0003547700000000, -0.0012106600000000 ] - [ 0.0005648600000000, -0.0034823200000000, -0.0029303800000000 ] - [ 0.0005589700000000, -0.0003959700000000, 0.0005953000000000 ] - [ 0.0010936700000000, 0.0000000000000000, -0.0005748800000000 ] - [ -0.0000578400000000, 0.0000000000000000, -0.0004962700000000 ] - [ 0.0002763600000000, 0.0000000000000000, -0.0005124900000000 ] - [ 0.0004917000000000, 0.0000000000000000, 0.0003547000000000 ] - [ -0.0009432400000000, 0.0000000000000000, 0.0011204400000000 ] - [ -0.0004214500000000, 0.0000000000000000, 0.0004921600000000 ] - [ -0.0009096800000000, 0.0000000000000000, -0.0004108500000000 ] - [ 0.0001398100000000, 0.0000000000000000, -0.0004625000000000 ] - [ 0.1341941000000000, 0.0000000000000000, 0.4182773700000000 ] - [ -0.0009364400000000, 0.0000000000000000, -0.0000832100000000 ] - [ -0.0013760200000000, 0.0000000000000000, 0.0001412200000000 ] - [ -0.0001013200000000, 0.0000000000000000, 0.0001421100000000 ] - [ 0.0015857000000000, 0.0000000000000000, 0.0002162800000000 ] - [ 0.0006211500000000, 0.0000000000000000, 0.0001751200000000 ] - [ 0.0008496900000000, 0.0000000000000000, -0.0021244700000000 ] - [ 0.0009771300000000, 0.0000000000000000, -0.0003449200000000 ]