# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/89f06b88-062c-4192-bc97-3985311b07c2/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 SiP2O7 / P2_1/c (14) / materials id 18157](https://mdr.nims.go.jp/datasets/19283129-4d0b-48d2-9b38-5a6504c24306) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.752577600000000, 0.000000000000000, 0.002326550000000 ] # a - [ 0.000000000000000, 12.090843000000000, 0.000000000000000 ] # b - [ -4.598195400000000, 0.000000000000000, 7.681409870000000 ] # c points: - symbol: O # 1 coordinates: [ 0.681000160000000, 0.735537650000000, 0.163800350000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.318999840000000, 0.235537650000000, 0.336199650000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.318999840000000, 0.264462350000000, 0.836199650000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.681000160000000, 0.764462350000000, 0.663800350000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.095588280000000, 0.761382990000000, 0.069884130000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.904411720000000, 0.261382990000000, 0.430115870000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.904411720000000, 0.238617010000000, 0.930115870000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.095588280000000, 0.738617010000000, 0.569884130000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.494084290000000, 0.812037830000000, 0.867160960000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.505915710000000, 0.312037830000000, 0.632839040000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.505915710000000, 0.187962170000000, 0.132839040000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.494084290000000, 0.687962170000000, 0.367160960000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.837145740000000, 0.574409870000000, 0.625662140000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.162854260000000, 0.074409870000000, 0.874337860000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.162854260000000, 0.425590130000000, 0.374337860000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.837145740000000, 0.925590130000000, 0.125662140000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.340668510000000, 0.463543270000000, 0.760682760000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.659331490000000, 0.963543270000000, 0.739317240000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.659331490000000, 0.536456730000000, 0.239317240000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.340668510000000, 0.036456730000000, 0.260682760000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.928949840000000, 0.436288380000000, 0.855615700000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.071050160000000, 0.936288380000000, 0.644384300000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.071050160000000, 0.563711620000000, 0.144384300000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.928949840000000, 0.063711620000000, 0.355615700000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.263793690000000, 0.610210070000000, 0.938001440000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.736206310000000, 0.110210070000000, 0.561998560000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.736206310000000, 0.389789930000000, 0.061998560000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.263793690000000, 0.889789930000000, 0.438001440000000 ] mass: 15.999400 - symbol: Si # 29 coordinates: [ 0.377131380000000, 0.648857190000000, 0.153842790000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.622868620000000, 0.148857190000000, 0.346157210000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.622868620000000, 0.351142810000000, 0.846157210000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.377131380000000, 0.851142810000000, 0.653842790000000 ] mass: 28.085500 - symbol: P # 33 coordinates: [ 0.776859280000000, 0.801543590000000, 0.052575470000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.223140720000000, 0.301543590000000, 0.447424530000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.223140720000000, 0.198456410000000, 0.947424530000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.776859280000000, 0.698456410000000, 0.552575470000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.102208030000000, 0.981619840000000, 0.303832600000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.897791970000000, 0.481619840000000, 0.196167400000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.897791970000000, 0.018380160000000, 0.696167400000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.102208030000000, 0.518380160000000, 0.803832600000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.210350493591471, 0.000000000000000, 0.125918638425687 ] # a* - [ 0.000000000000000, 0.082707219008633, 0.000000000000000 ] # b* - [ -0.000063711082880, 0.000000000000000, 0.130146296176195 ] # c*unit_cell: lattice: - [ 4.752577600000000, 0.000000000000000, 0.002326550000000 ] # a - [ 0.000000000000000, 12.090843000000000, 0.000000000000000 ] # b - [ -4.598195400000000, 0.000000000000000, 7.681409870000000 ] # c points: - symbol: O # 1 coordinates: [ 0.681000160000000, 0.735537650000000, 0.163800350000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.318999840000000, 0.235537650000000, 0.336199650000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.318999840000000, 0.264462350000000, 0.836199650000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.681000160000000, 0.764462350000000, 0.663800350000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.095588280000000, 0.761382990000000, 0.069884130000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.904411720000000, 0.261382990000000, 0.430115870000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.904411720000000, 0.238617010000000, 0.930115870000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.095588280000000, 0.738617010000000, 0.569884130000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.494084290000000, 0.812037830000000, 0.867160960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.505915710000000, 0.312037830000000, 0.632839040000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.505915710000000, 0.187962170000000, 0.132839040000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.494084290000000, 0.687962170000000, 0.367160960000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.837145740000000, 0.574409870000000, 0.625662140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.162854260000000, 0.074409870000000, 0.874337860000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.162854260000000, 0.425590130000000, 0.374337860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.837145740000000, 0.925590130000000, 0.125662140000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.340668510000000, 0.463543270000000, 0.760682760000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.659331490000000, 0.963543270000000, 0.739317240000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.659331490000000, 0.536456730000000, 0.239317240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.340668510000000, 0.036456730000000, 0.260682760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.928949840000000, 0.436288380000000, 0.855615700000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.071050160000000, 0.936288380000000, 0.644384300000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.071050160000000, 0.563711620000000, 0.144384300000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.928949840000000, 0.063711620000000, 0.355615700000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.263793690000000, 0.610210070000000, 0.938001440000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.736206310000000, 0.110210070000000, 0.561998560000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.736206310000000, 0.389789930000000, 0.061998560000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.263793690000000, 0.889789930000000, 0.438001440000000 ] mass: 15.999400 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.377131380000000, 0.648857190000000, 0.153842790000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.622868620000000, 0.148857190000000, 0.346157210000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.622868620000000, 0.351142810000000, 0.846157210000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.377131380000000, 0.851142810000000, 0.653842790000000 ] mass: 28.085500 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.776859280000000, 0.801543590000000, 0.052575470000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.223140720000000, 0.301543590000000, 0.447424530000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.223140720000000, 0.198456410000000, 0.947424530000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.776859280000000, 0.698456410000000, 0.552575470000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.102208030000000, 0.981619840000000, 0.303832600000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.897791970000000, 0.481619840000000, 0.196167400000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.897791970000000, 0.018380160000000, 0.696167400000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.102208030000000, 0.518380160000000, 0.803832600000000 ] mass: 30.973762 reduced_to: 40supercell: lattice: - [ 9.505155200000001, 0.000000000000000, 0.004653100000000 ] # a - [ 0.000000000000000, 12.090843000000000, 0.000000000000000 ] # b - [ -4.598195400000000, 0.000000000000000, 7.681409870000000 ] # c points: - symbol: O # 1 coordinates: [ 0.340500080000000, 0.735537650000000, 0.163800350000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.840500080000000, 0.735537650000000, 0.163800350000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.159499920000000, 0.235537650000000, 0.336199650000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.659499920000000, 0.235537650000000, 0.336199650000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.159499920000000, 0.264462350000000, 0.836199650000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.659499920000000, 0.264462350000000, 0.836199650000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.340500080000000, 0.764462350000000, 0.663800350000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.840500080000000, 0.764462350000000, 0.663800350000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.047794140000000, 0.761382990000000, 0.069884130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.547794140000000, 0.761382990000000, 0.069884130000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.452205860000000, 0.261382990000000, 0.430115870000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.952205860000000, 0.261382990000000, 0.430115870000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.452205860000000, 0.238617010000000, 0.930115870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.952205860000000, 0.238617010000000, 0.930115870000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.047794140000000, 0.738617010000000, 0.569884130000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.547794140000000, 0.738617010000000, 0.569884130000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.247042145000000, 0.812037830000000, 0.867160960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.747042145000000, 0.812037830000000, 0.867160960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.252957855000000, 0.312037830000000, 0.632839040000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.752957855000000, 0.312037830000000, 0.632839040000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.252957855000000, 0.187962170000000, 0.132839040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.752957855000000, 0.187962170000000, 0.132839040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.247042145000000, 0.687962170000000, 0.367160960000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.747042145000000, 0.687962170000000, 0.367160960000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.418572870000000, 0.574409870000000, 0.625662140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.918572870000000, 0.574409870000000, 0.625662140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.081427130000000, 0.074409870000000, 0.874337860000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.581427130000000, 0.074409870000000, 0.874337860000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.081427130000000, 0.425590130000000, 0.374337860000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.581427130000000, 0.425590130000000, 0.374337860000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.418572870000000, 0.925590130000000, 0.125662140000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.918572870000000, 0.925590130000000, 0.125662140000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.170334255000000, 0.463543270000000, 0.760682760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.670334255000000, 0.463543270000000, 0.760682760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.329665745000000, 0.963543270000000, 0.739317240000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.829665745000000, 0.963543270000000, 0.739317240000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.329665745000000, 0.536456730000000, 0.239317240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.829665745000000, 0.536456730000000, 0.239317240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.170334255000000, 0.036456730000000, 0.260682760000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.670334255000000, 0.036456730000000, 0.260682760000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.464474920000000, 0.436288380000000, 0.855615700000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.964474920000000, 0.436288380000000, 0.855615700000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.035525080000000, 0.936288380000000, 0.644384300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.535525080000000, 0.936288380000000, 0.644384300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.035525080000000, 0.563711620000000, 0.144384300000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.535525080000000, 0.563711620000000, 0.144384300000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.464474920000000, 0.063711620000000, 0.355615700000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.964474920000000, 0.063711620000000, 0.355615700000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.131896845000000, 0.610210070000000, 0.938001440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.631896845000000, 0.610210070000000, 0.938001440000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.368103155000000, 0.110210070000000, 0.561998560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.868103155000000, 0.110210070000000, 0.561998560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.368103155000000, 0.389789930000000, 0.061998560000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.868103155000000, 0.389789930000000, 0.061998560000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.131896845000000, 0.889789930000000, 0.438001440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.631896845000000, 0.889789930000000, 0.438001440000000 ] mass: 15.999400 reduced_to: 55 - symbol: Si # 57 coordinates: [ 0.188565690000000, 0.648857190000000, 0.153842790000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.688565690000000, 0.648857190000000, 0.153842790000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 59 coordinates: [ 0.311434310000000, 0.148857190000000, 0.346157210000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.811434310000000, 0.148857190000000, 0.346157210000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 61 coordinates: [ 0.311434310000000, 0.351142810000000, 0.846157210000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.811434310000000, 0.351142810000000, 0.846157210000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 63 coordinates: [ 0.188565690000000, 0.851142810000000, 0.653842790000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.688565690000000, 0.851142810000000, 0.653842790000000 ] mass: 28.085500 reduced_to: 63 - symbol: P # 65 coordinates: [ 0.388429640000000, 0.801543590000000, 0.052575470000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.888429640000000, 0.801543590000000, 0.052575470000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 67 coordinates: [ 0.111570360000000, 0.301543590000000, 0.447424530000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.611570360000000, 0.301543590000000, 0.447424530000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 69 coordinates: [ 0.111570360000000, 0.198456410000000, 0.947424530000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.611570360000000, 0.198456410000000, 0.947424530000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.388429640000000, 0.698456410000000, 0.552575470000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.888429640000000, 0.698456410000000, 0.552575470000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 73 coordinates: [ 0.051104015000000, 0.981619840000000, 0.303832600000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.551104015000000, 0.981619840000000, 0.303832600000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.448895985000000, 0.481619840000000, 0.196167400000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.948895985000000, 0.481619840000000, 0.196167400000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 77 coordinates: [ 0.448895985000000, 0.018380160000000, 0.696167400000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.948895985000000, 0.018380160000000, 0.696167400000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 79 coordinates: [ 0.051104015000000, 0.518380160000000, 0.803832600000000 ] mass: 30.973762 reduced_to: 79 - symbol: P # 80 coordinates: [ 0.551104015000000, 0.518380160000000, 0.803832600000000 ] mass: 30.973762 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.3386101900000000, -0.2105896100000000, 0.1336857000000000 ] - [ 0.0112007500000000, 0.0018687000000000, -0.0006165300000000 ] - [ 0.0000474300000000, 0.0008584600000000, -0.0006447600000000 ] - [ -0.0001136200000000, 0.0016321800000000, -0.0002258100000000 ] - [ 0.0007505200000000, 0.0008001900000000, -0.0009810400000000 ] - [ 0.0009847400000000, 0.0005926100000000, -0.0008307900000000 ] - [ 0.0019489600000000, -0.0033726500000000, -0.0044764400000000 ] - [ -0.0006851700000000, -0.0010416000000000, 0.0023811700000000 ] - [ 0.0428770100000000, -0.0090137000000000, 0.0106005000000000 ] - [ 0.0418564800000000, 0.0040084300000000, -0.0150649000000000 ] - [ -0.0001749100000000, 0.0010056900000000, -0.0000810700000000 ] - [ 0.0003162500000000, 0.0006003200000000, -0.0001282300000000 ] - [ -0.0008307000000000, 0.0010928200000000, -0.0004712600000000 ] - [ -0.0008955200000000, 0.0012248100000000, -0.0004539100000000 ] - [ 0.0004264300000000, -0.0008360300000000, -0.0001888200000000 ] - [ -0.0027389800000000, -0.0020999400000000, -0.0016191800000000 ] - [ -0.0052199500000000, 0.0030081200000000, -0.0099976500000000 ] - [ 0.0032288200000000, -0.0023931900000000, 0.0030987400000000 ] - [ 0.0007506800000000, 0.0002371200000000, -0.0000646600000000 ] - [ 0.0011850100000000, 0.0002221100000000, 0.0005698900000000 ] - [ 0.0004587100000000, 0.0011217500000000, -0.0004147200000000 ] - [ 0.0013301000000000, 0.0010807400000000, -0.0003142600000000 ] - [ 0.0137068500000000, 0.0067834100000000, -0.0283602000000000 ] - [ 0.0011346100000000, -0.0008114800000000, 0.0049728500000000 ] - [ -0.0009036700000000, 0.0010903400000000, -0.0044023100000000 ] - [ 0.0006592000000000, -0.0028084200000000, 0.0042392800000000 ] - [ -0.0003324500000000, 0.0001108200000000, 0.0004602600000000 ] - [ 0.0003166000000000, 0.0000746200000000, 0.0001098900000000 ] - [ 0.0004938000000000, 0.0022541000000000, -0.0006971400000000 ] - [ -0.0020403200000000, 0.0020003600000000, -0.0004088700000000 ] - [ 0.0042235700000000, 0.0259149600000000, 0.0027902700000000 ] - [ 0.0020016200000000, -0.0025216700000000, -0.0018558900000000 ] - [ -0.0015277400000000, 0.0026100600000000, 0.0014828500000000 ] - [ 0.0005266000000000, 0.0004198600000000, -0.0002258500000000 ] - [ 0.0011183800000000, 0.0012030500000000, -0.0020520300000000 ] - [ -0.0003077000000000, 0.0003601900000000, 0.0006165400000000 ] - [ -0.0078180800000000, 0.0134014600000000, -0.0019473000000000 ] - [ 0.0024108100000000, -0.0014752900000000, -0.0004363700000000 ] - [ -0.0008773900000000, -0.0015434700000000, 0.0001105900000000 ] - [ 0.0034811300000000, 0.0029189700000000, 0.0026006500000000 ] - [ -0.0008615200000000, -0.0002153800000000, -0.0006715300000000 ] - [ 0.0017157600000000, 0.0028247900000000, 0.0008788000000000 ] - [ -0.0007874700000000, 0.0011000100000000, -0.0010531700000000 ] - [ 0.0008661600000000, -0.0009923100000000, 0.0002287700000000 ] - [ 0.0051168500000000, 0.0042257000000000, -0.0006790900000000 ] - [ -0.0021321700000000, -0.0093503900000000, 0.0017924000000000 ] - [ -0.0028557700000000, 0.0031446700000000, 0.0021958400000000 ] - [ 0.0009828400000000, -0.0007594300000000, -0.0002796100000000 ] - [ 0.0028094200000000, 0.0150094500000000, 0.0167330600000000 ] - [ 0.0025304800000000, -0.0036761400000000, -0.0033986300000000 ] - [ -0.0005968600000000, 0.0008624900000000, -0.0004682200000000 ] - [ -0.0003489500000000, 0.0009011600000000, 0.0004975200000000 ] - [ -0.0026078100000000, 0.0005790300000000, 0.0010280000000000 ] - [ 0.0004667300000000, 0.0007573400000000, 0.0003333900000000 ] - [ 0.0010611900000000, -0.0011258900000000, -0.0012115000000000 ] - [ 0.0003975100000000, -0.0006653700000000, 0.0054511000000000 ] - [ 0.0546214400000000, 0.0293492400000000, 0.0056442400000000 ] - [ -0.0173312000000000, 0.0181395100000000, -0.0092433400000000 ] - [ 0.0038089600000000, -0.0024409100000000, 0.0014004200000000 ] - [ -0.0017092900000000, -0.0034698300000000, 0.0000499000000000 ] - [ 0.0021754600000000, -0.0021100500000000, 0.0012784500000000 ] - [ -0.0008417000000000, -0.0021544800000000, 0.0001540300000000 ] - [ -0.0044692000000000, 0.0010266400000000, 0.0086515600000000 ] - [ 0.0015013400000000, 0.0043771300000000, -0.0059104400000000 ] - [ 0.1882988700000000, 0.1152269500000000, -0.1116425000000000 ] - [ -0.0186691600000000, 0.0055694200000000, 0.0023016100000000 ] - [ -0.0001445400000000, -0.0019280900000000, -0.0002371200000000 ] - [ 0.0001685900000000, -0.0023213300000000, -0.0007261800000000 ] - [ 0.0008718800000000, -0.0024376000000000, 0.0000349800000000 ] - [ -0.0001913200000000, -0.0021387300000000, 0.0000435900000000 ] - [ 0.0060002400000000, 0.0031636000000000, 0.0193066900000000 ] - [ -0.0007764000000000, 0.0029625400000000, -0.0054766900000000 ] - [ -0.0006731000000000, 0.0028117000000000, 0.0022648200000000 ] - [ -0.0032633200000000, -0.0089239800000000, -0.0159750000000000 ] - [ 0.0159381000000000, 0.0000911300000000, -0.0037568200000000 ] - [ -0.0050869500000000, -0.0033003100000000, 0.0011218100000000 ] - [ -0.0016491900000000, -0.0004072500000000, 0.0011931600000000 ] - [ 0.0013194800000000, -0.0005529400000000, -0.0012850500000000 ] - [ -0.0003532300000000, -0.0050277900000000, -0.0063938200000000 ] - [ 0.0003391800000000, 0.0018865000000000, 0.0050654300000000 ]- atom: 1 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.3373755900000000, 0.2089267300000000, -0.1257332600000000 ] - [ -0.0121151400000000, -0.0014863800000000, 0.0020262000000000 ] - [ 0.0008316700000000, -0.0004690900000000, -0.0007344800000000 ] - [ 0.0009904000000000, -0.0012462700000000, -0.0011545100000000 ] - [ 0.0001219900000000, -0.0011985100000000, -0.0003962600000000 ] - [ -0.0001121100000000, -0.0009918400000000, -0.0005468800000000 ] - [ -0.0028616700000000, 0.0030155500000000, 0.0058968700000000 ] - [ -0.0001823500000000, 0.0006523400000000, -0.0010074800000000 ] - [ -0.0429420300000000, 0.0087737500000000, -0.0103537100000000 ] - [ -0.0401198900000000, -0.0041980500000000, 0.0151833500000000 ] - [ -0.0005695300000000, -0.0013968900000000, -0.0004600300000000 ] - [ -0.0010640000000000, -0.0009897600000000, -0.0004111300000000 ] - [ 0.0000879000000000, -0.0007136100000000, -0.0000667600000000 ] - [ 0.0001567100000000, -0.0008445800000000, -0.0000856300000000 ] - [ 0.0003359600000000, 0.0012366300000000, 0.0007522900000000 ] - [ 0.0034980400000000, 0.0024966100000000, 0.0021363200000000 ] - [ 0.0031603400000000, -0.0038808200000000, 0.0103414200000000 ] - [ -0.0051592500000000, 0.0016409500000000, -0.0031795700000000 ] - [ 0.0011429800000000, -0.0010270800000000, 0.0000748900000000 ] - [ 0.0007103800000000, -0.0010123400000000, -0.0005621700000000 ] - [ 0.0014384400000000, -0.0003390700000000, 0.0004255900000000 ] - [ 0.0005611900000000, -0.0002981600000000, 0.0003267700000000 ] - [ -0.0158981200000000, -0.0061161300000000, 0.0287707800000000 ] - [ -0.0030296800000000, 0.0015976500000000, -0.0049530900000000 ] - [ 0.0010008500000000, -0.0027179200000000, 0.0042721900000000 ] - [ -0.0005695300000000, 0.0011883200000000, -0.0043787800000000 ] - [ 0.0002468100000000, -0.0017398500000000, -0.0003203800000000 ] - [ -0.0004112800000000, -0.0017013500000000, 0.0000291100000000 ] - [ -0.0005837500000000, -0.0006467700000000, 0.0008488900000000 ] - [ 0.0019543100000000, -0.0003882500000000, 0.0005592700000000 ] - [ -0.0043526600000000, -0.0243123800000000, -0.0030401100000000 ] - [ -0.0019193500000000, 0.0041942900000000, 0.0017432400000000 ] - [ 0.0016199600000000, -0.0013567700000000, -0.0005281800000000 ] - [ -0.0004278500000000, 0.0008256100000000, 0.0011783000000000 ] - [ -0.0012416200000000, 0.0000291700000000, 0.0011112800000000 ] - [ 0.0002292000000000, 0.0009048900000000, -0.0015819800000000 ] - [ 0.0078054000000000, -0.0146714900000000, 0.0009782700000000 ] - [ -0.0025051700000000, 0.0002088500000000, -0.0005161800000000 ] - [ 0.0009813000000000, 0.0002956700000000, 0.0008499700000000 ] - [ -0.0034262600000000, -0.0042085700000000, -0.0016628100000000 ] - [ 0.0001126500000000, 0.0002118900000000, 0.0008304800000000 ] - [ -0.0024491400000000, -0.0028100800000000, -0.0007201200000000 ] - [ 0.0015489800000000, -0.0011102800000000, 0.0009066700000000 ] - [ -0.0001366300000000, 0.0010105700000000, -0.0003953200000000 ] - [ -0.0043912800000000, -0.0042646100000000, 0.0005229300000000 ] - [ 0.0028786500000000, 0.0092956300000000, -0.0019520700000000 ] - [ 0.0021274300000000, -0.0031675900000000, -0.0020439500000000 ] - [ -0.0017329800000000, 0.0007613000000000, 0.0004454100000000 ] - [ -0.0017716200000000, -0.0144107200000000, -0.0166613900000000 ] - [ -0.0015721400000000, 0.0042467200000000, 0.0034736200000000 ] - [ -0.0003602600000000, -0.0002710100000000, 0.0003817300000000 ] - [ -0.0006045000000000, -0.0003099500000000, -0.0005924000000000 ] - [ 0.0016535400000000, -0.0011812600000000, -0.0011259000000000 ] - [ -0.0014225900000000, -0.0013652500000000, -0.0004316400000000 ] - [ -0.0001067800000000, 0.0005314600000000, 0.0013233700000000 ] - [ 0.0005486100000000, 0.0000739700000000, -0.0053863700000000 ] - [ -0.0603328600000000, -0.0334692600000000, -0.0076749900000000 ] - [ 0.0157068400000000, -0.0182991300000000, 0.0073017400000000 ] - [ -0.0021976900000000, 0.0021838000000000, 0.0004747000000000 ] - [ 0.0033602400000000, 0.0032206200000000, 0.0018297000000000 ] - [ -0.0005372000000000, 0.0023917900000000, 0.0005993100000000 ] - [ 0.0024622700000000, 0.0024389500000000, 0.0017307100000000 ] - [ 0.0028739600000000, -0.0007400600000000, -0.0106915500000000 ] - [ -0.0031440700000000, -0.0041317500000000, 0.0041016000000000 ] - [ -0.1837485000000000, -0.1089706800000000, 0.1062491100000000 ] - [ 0.0183462600000000, -0.0051842000000000, -0.0015339600000000 ] - [ 0.0004753300000000, 0.0023838800000000, -0.0005518300000000 ] - [ 0.0001624100000000, 0.0027747800000000, -0.0000566000000000 ] - [ -0.0005447100000000, 0.0020114900000000, -0.0008207400000000 ] - [ 0.0005246500000000, 0.0017092400000000, -0.0008320400000000 ] - [ -0.0063824600000000, -0.0036450300000000, -0.0185885700000000 ] - [ 0.0004229500000000, -0.0034121900000000, 0.0062432000000000 ] - [ 0.0004396100000000, -0.0033565400000000, -0.0021680400000000 ] - [ 0.0030688400000000, 0.0084618600000000, 0.0162161100000000 ] - [ -0.0157189200000000, -0.0006244100000000, 0.0036184100000000 ] - [ 0.0053187200000000, 0.0028224300000000, -0.0012707700000000 ] - [ 0.0018966200000000, 0.0009212400000000, -0.0013325100000000 ] - [ -0.0011257500000000, 0.0010782100000000, 0.0011548900000000 ] - [ 0.0001464200000000, 0.0055091900000000, 0.0065073300000000 ] - [ -0.0005530700000000, -0.0013500700000000, -0.0049118900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.2111840000000000, -0.2434111200000000, 0.1157737100000000 ] - [ 0.0012339400000000, -0.0007014900000000, 0.0010370700000000 ] - [ -0.0002278400000000, 0.0017959200000000, -0.0004120500000000 ] - [ -0.0010013800000000, 0.0032973300000000, 0.0000223300000000 ] - [ 0.0014364900000000, 0.0019959000000000, -0.0009962800000000 ] - [ 0.0012298800000000, 0.0012519800000000, -0.0010790100000000 ] - [ 0.0027559200000000, -0.0038194800000000, -0.0032835500000000 ] - [ 0.0004106900000000, -0.0025636500000000, 0.0009425300000000 ] - [ 0.0027161200000000, -0.0065202900000000, 0.0006430200000000 ] - [ 0.0117552800000000, -0.0109708400000000, -0.0040268100000000 ] - [ 0.0006912600000000, 0.0027033600000000, 0.0000434700000000 ] - [ 0.0005168000000000, 0.0013051700000000, 0.0000170600000000 ] - [ -0.0015665500000000, 0.0022097400000000, -0.0005041400000000 ] - [ -0.0013090900000000, 0.0021248200000000, -0.0007118300000000 ] - [ -0.0015234300000000, -0.0024986100000000, -0.0012402000000000 ] - [ -0.0015683900000000, -0.0028612500000000, -0.0011378100000000 ] - [ 0.0048531500000000, -0.0001696400000000, -0.0218695500000000 ] - [ -0.0000873500000000, -0.0013130600000000, 0.0005414500000000 ] - [ 0.0007993200000000, 0.0006999000000000, 0.0004047700000000 ] - [ 0.0011065600000000, 0.0009351000000000, 0.0001110300000000 ] - [ 0.0005300800000000, 0.0021030800000000, -0.0008237600000000 ] - [ 0.0012446100000000, 0.0017704100000000, -0.0007507900000000 ] - [ 0.0063135800000000, -0.0017274500000000, -0.0136571800000000 ] - [ -0.0012071500000000, -0.0017269200000000, 0.0006473300000000 ] - [ -0.0001853200000000, -0.0014276100000000, -0.0015501800000000 ] - [ 0.0005103100000000, -0.0033588000000000, 0.0044986200000000 ] - [ -0.0002780300000000, 0.0012962400000000, 0.0006497900000000 ] - [ 0.0003585900000000, 0.0010134500000000, 0.0006105900000000 ] - [ 0.0002814200000000, 0.0027088600000000, -0.0008244000000000 ] - [ -0.0025862800000000, 0.0056147200000000, -0.0030944300000000 ] - [ 0.0237233900000000, 0.0397752200000000, 0.0051814000000000 ] - [ 0.0003995600000000, -0.0009839800000000, -0.0009410500000000 ] - [ -0.0013115600000000, 0.0028148600000000, 0.0019005700000000 ] - [ 0.0003568800000000, 0.0007416700000000, 0.0001550900000000 ] - [ 0.0015412000000000, 0.0017488800000000, -0.0018033700000000 ] - [ 0.0000028200000000, 0.0006585000000000, 0.0003777200000000 ] - [ -0.0016448300000000, 0.0330662400000000, -0.0062207200000000 ] - [ 0.0001698300000000, -0.0010533300000000, -0.0006531200000000 ] - [ -0.0010364700000000, -0.0001835400000000, 0.0005794700000000 ] - [ 0.0060773900000000, 0.0054543800000000, 0.0040129900000000 ] - [ -0.0011706400000000, 0.0001389700000000, 0.0003815600000000 ] - [ 0.0023725000000000, 0.0038699300000000, 0.0008749000000000 ] - [ -0.0005430000000000, 0.0007925200000000, -0.0007899300000000 ] - [ 0.0004078900000000, -0.0004162600000000, 0.0004456300000000 ] - [ 0.0044637800000000, 0.0015941100000000, -0.0004375700000000 ] - [ -0.0082424000000000, 0.0009899900000000, 0.0006960100000000 ] - [ -0.0033260600000000, 0.0047261600000000, 0.0029642700000000 ] - [ 0.0003456200000000, 0.0002565700000000, 0.0001036200000000 ] - [ 0.0099042500000000, 0.0165702800000000, 0.0221158100000000 ] - [ 0.0006940600000000, -0.0020333900000000, -0.0008949800000000 ] - [ -0.0006166700000000, 0.0015640500000000, -0.0002985300000000 ] - [ -0.0002900200000000, 0.0015025400000000, 0.0005224500000000 ] - [ -0.0025599100000000, 0.0034998900000000, 0.0034803100000000 ] - [ 0.0000816600000000, 0.0009398300000000, 0.0003308200000000 ] - [ 0.0004516700000000, -0.0011515500000000, -0.0002558500000000 ] - [ 0.0013399200000000, -0.0015861400000000, 0.0071642700000000 ] - [ 0.0275820300000000, 0.0430335600000000, 0.0041492200000000 ] - [ -0.0010038000000000, 0.0120983400000000, -0.0039784900000000 ] - [ 0.0037372900000000, -0.0062383100000000, 0.0010051400000000 ] - [ -0.0014483300000000, -0.0065769000000000, -0.0000470100000000 ] - [ 0.0024128300000000, -0.0047331700000000, -0.0011929600000000 ] - [ -0.0012057400000000, -0.0036446800000000, 0.0007240200000000 ] - [ -0.0028701600000000, 0.0009266900000000, 0.0090975900000000 ] - [ 0.0004871000000000, 0.0052115700000000, -0.0050918100000000 ] - [ 0.1166491600000000, 0.1352306800000000, -0.0908675200000000 ] - [ -0.0038483000000000, 0.0026480300000000, 0.0005367100000000 ] - [ -0.0002971900000000, -0.0032437900000000, -0.0006414800000000 ] - [ 0.0002095600000000, -0.0068004400000000, 0.0002374900000000 ] - [ 0.0007489300000000, -0.0051206600000000, 0.0003825400000000 ] - [ 0.0002851400000000, -0.0040301900000000, 0.0004446600000000 ] - [ 0.0023579900000000, 0.0053041100000000, 0.0105390500000000 ] - [ 0.0008073600000000, 0.0062852200000000, -0.0008715100000000 ] - [ 0.0008830700000000, 0.0010006500000000, 0.0006174200000000 ] - [ -0.0066766200000000, -0.0124013100000000, -0.0250509100000000 ] - [ 0.0169073700000000, -0.0106837300000000, -0.0025618400000000 ] - [ -0.0027841700000000, -0.0031416700000000, 0.0008406300000000 ] - [ -0.0015426600000000, -0.0014925300000000, 0.0001790000000000 ] - [ 0.0007638100000000, -0.0014394400000000, -0.0006821200000000 ] - [ -0.0002900200000000, -0.0067053200000000, -0.0080886400000000 ] - [ 0.0005252800000000, 0.0014611100000000, 0.0013482800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.2083805600000000, 0.2435790300000000, -0.1103243500000000 ] - [ -0.0021199800000000, 0.0011039300000000, 0.0003316900000000 ] - [ 0.0010996600000000, -0.0014026800000000, -0.0009651100000000 ] - [ 0.0018772900000000, -0.0029031000000000, -0.0013986700000000 ] - [ -0.0005634800000000, -0.0023909700000000, -0.0003836600000000 ] - [ -0.0003559000000000, -0.0016450900000000, -0.0002994700000000 ] - [ -0.0036372600000000, 0.0034362300000000, 0.0046800700000000 ] - [ -0.0012841800000000, 0.0021695600000000, 0.0004374400000000 ] - [ -0.0018061900000000, 0.0061096500000000, -0.0000730800000000 ] - [ -0.0112251400000000, 0.0104035400000000, 0.0046016200000000 ] - [ -0.0014352600000000, -0.0030884200000000, -0.0005804800000000 ] - [ -0.0012581100000000, -0.0016902700000000, -0.0005560300000000 ] - [ 0.0008282700000000, -0.0018253600000000, -0.0000375800000000 ] - [ 0.0005639800000000, -0.0017412800000000, 0.0001721100000000 ] - [ 0.0022692600000000, 0.0028872700000000, 0.0017789800000000 ] - [ 0.0023147400000000, 0.0032483800000000, 0.0016726700000000 ] - [ -0.0067272900000000, -0.0007641100000000, 0.0218578800000000 ] - [ -0.0018030200000000, 0.0005137100000000, -0.0005268800000000 ] - [ 0.0010952700000000, -0.0014859500000000, -0.0003967300000000 ] - [ 0.0007869900000000, -0.0017216000000000, -0.0000961600000000 ] - [ 0.0013595400000000, -0.0013155400000000, 0.0008291300000000 ] - [ 0.0006527800000000, -0.0009822600000000, 0.0007551000000000 ] - [ -0.0082585400000000, 0.0025718000000000, 0.0137123100000000 ] - [ -0.0006938000000000, 0.0025251800000000, -0.0006847800000000 ] - [ 0.0002757300000000, -0.0001836900000000, 0.0014107800000000 ] - [ -0.0004236600000000, 0.0017568300000000, -0.0046813000000000 ] - [ 0.0001860000000000, -0.0029252700000000, -0.0005153600000000 ] - [ -0.0004491300000000, -0.0026430400000000, -0.0004750700000000 ] - [ -0.0003751800000000, -0.0010853500000000, 0.0009637600000000 ] - [ 0.0025145800000000, -0.0040004200000000, 0.0032488200000000 ] - [ -0.0230963900000000, -0.0371717900000000, -0.0053725200000000 ] - [ -0.0003111400000000, 0.0025807400000000, 0.0007858100000000 ] - [ 0.0014047900000000, -0.0015596300000000, -0.0009485600000000 ] - [ -0.0002751800000000, 0.0005255500000000, 0.0008048600000000 ] - [ -0.0016513200000000, -0.0005158400000000, 0.0008531400000000 ] - [ -0.0000930800000000, 0.0005917000000000, -0.0013295800000000 ] - [ 0.0014532800000000, -0.0350268300000000, 0.0054674700000000 ] - [ -0.0002643400000000, -0.0001911100000000, -0.0003048600000000 ] - [ 0.0011124600000000, -0.0010836000000000, 0.0003766400000000 ] - [ -0.0059322600000000, -0.0066761800000000, -0.0030250200000000 ] - [ 0.0004427800000000, -0.0001182800000000, -0.0002251600000000 ] - [ -0.0031185000000000, -0.0038746200000000, -0.0007177700000000 ] - [ 0.0013021100000000, -0.0008066200000000, 0.0006387900000000 ] - [ 0.0003289700000000, 0.0004175400000000, -0.0005984200000000 ] - [ -0.0037416500000000, -0.0015956000000000, 0.0002788500000000 ] - [ 0.0090889700000000, -0.0010363400000000, -0.0008605800000000 ] - [ 0.0025695100000000, -0.0047144400000000, -0.0027812500000000 ] - [ -0.0010736500000000, -0.0002750300000000, 0.0000539000000000 ] - [ -0.0090987300000000, -0.0160885600000000, -0.0223064400000000 ] - [ 0.0002576900000000, 0.0026539200000000, 0.0009996400000000 ] - [ -0.0003442100000000, -0.0009767000000000, 0.0002175700000000 ] - [ -0.0006612300000000, -0.0009147500000000, -0.0006033800000000 ] - [ 0.0016183600000000, -0.0041050500000000, -0.0035921200000000 ] - [ -0.0010394300000000, -0.0015322800000000, -0.0004200900000000 ] - [ 0.0005018900000000, 0.0005475000000000, 0.0003489200000000 ] - [ -0.0003789500000000, 0.0009706600000000, -0.0070262100000000 ] - [ -0.0319976100000000, -0.0446421000000000, -0.0060955100000000 ] - [ -0.0005802000000000, -0.0125065300000000, 0.0021404300000000 ] - [ -0.0020815600000000, 0.0059685800000000, 0.0008670500000000 ] - [ 0.0030584500000000, 0.0063019300000000, 0.0019152500000000 ] - [ -0.0007923500000000, 0.0050011700000000, 0.0030815700000000 ] - [ 0.0028465800000000, 0.0039099400000000, 0.0011517100000000 ] - [ 0.0012535000000000, -0.0006445500000000, -0.0110604700000000 ] - [ -0.0021066900000000, -0.0049173700000000, 0.0031778500000000 ] - [ -0.1125477800000000, -0.1329349500000000, 0.0878207000000000 ] - [ 0.0035104000000000, -0.0021590900000000, 0.0002426500000000 ] - [ 0.0006294800000000, 0.0036819100000000, -0.0001438400000000 ] - [ 0.0001172300000000, 0.0072474800000000, -0.0010345600000000 ] - [ -0.0004119600000000, 0.0046869300000000, -0.0011594600000000 ] - [ 0.0000396400000000, 0.0035968900000000, -0.0012223800000000 ] - [ -0.0026877100000000, -0.0057646300000000, -0.0097743000000000 ] - [ -0.0011391200000000, -0.0067507700000000, 0.0016863500000000 ] - [ -0.0010929500000000, -0.0014796900000000, -0.0004647000000000 ] - [ 0.0064177100000000, 0.0118576400000000, 0.0249897800000000 ] - [ -0.0167783000000000, 0.0101394100000000, 0.0024520800000000 ] - [ 0.0030196100000000, 0.0026218000000000, -0.0009813300000000 ] - [ 0.0017730400000000, 0.0020269100000000, -0.0003207800000000 ] - [ -0.0005554500000000, 0.0019815400000000, 0.0005494100000000 ] - [ 0.0000629600000000, 0.0072213500000000, 0.0082341500000000 ] - [ -0.0007462000000000, -0.0009789000000000, -0.0012229100000000 ]- atom: 1 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ 0.2796969800000000, 0.2003559900000000, -0.2311456500000000 ] - [ -0.0075266200000000, -0.0003592400000000, 0.0012837700000000 ] - [ 0.0006764500000000, -0.0003788400000000, -0.0006698200000000 ] - [ 0.0011175200000000, -0.0011486500000000, -0.0009345400000000 ] - [ 0.0000272100000000, -0.0009668300000000, -0.0006716600000000 ] - [ 0.0000363800000000, -0.0009342600000000, -0.0005475600000000 ] - [ -0.0061101600000000, 0.0048528500000000, 0.0078170200000000 ] - [ 0.0011433200000000, 0.0000167200000000, 0.0002701300000000 ] - [ -0.0182058900000000, 0.0045174700000000, -0.0074964900000000 ] - [ -0.0262017700000000, -0.0027274200000000, 0.0035063300000000 ] - [ -0.0006681300000000, -0.0013474800000000, -0.0003001000000000 ] - [ -0.0009284700000000, -0.0008882500000000, -0.0003024500000000 ] - [ 0.0000855000000000, -0.0007220100000000, -0.0002071100000000 ] - [ 0.0000858000000000, -0.0004559300000000, -0.0002549500000000 ] - [ 0.0016416000000000, 0.0018796200000000, 0.0025258500000000 ] - [ 0.0021563300000000, 0.0026688900000000, 0.0056591100000000 ] - [ -0.0105886800000000, -0.0169815300000000, 0.0384252000000000 ] - [ -0.0032797500000000, 0.0009505800000000, -0.0009855800000000 ] - [ 0.0009030400000000, -0.0007825300000000, 0.0002401500000000 ] - [ 0.0010272900000000, -0.0008296600000000, 0.0002398200000000 ] - [ 0.0011486500000000, -0.0001610600000000, -0.0001202600000000 ] - [ 0.0007648200000000, -0.0001361500000000, 0.0001459600000000 ] - [ -0.0237550100000000, -0.0083151900000000, 0.0329158500000000 ] - [ -0.0006914100000000, 0.0013501800000000, -0.0022087700000000 ] - [ 0.0006967900000000, -0.0033280000000000, 0.0048245700000000 ] - [ 0.0000206600000000, 0.0001907800000000, -0.0011302900000000 ] - [ 0.0003047700000000, -0.0020580800000000, -0.0005440900000000 ] - [ -0.0006344900000000, -0.0018183300000000, -0.0001685600000000 ] - [ -0.0005240900000000, -0.0004212100000000, 0.0006681800000000 ] - [ 0.0019271900000000, -0.0011518500000000, 0.0011684300000000 ] - [ -0.0021592200000000, -0.0128240000000000, -0.0089090100000000 ] - [ -0.0011317100000000, 0.0025676000000000, 0.0009740600000000 ] - [ -0.0000349100000000, 0.0006080200000000, 0.0002218000000000 ] - [ 0.0003429600000000, 0.0002764100000000, 0.0012664900000000 ] - [ -0.0038289400000000, -0.0021949500000000, 0.0017205500000000 ] - [ 0.0009131200000000, 0.0009475700000000, -0.0008351800000000 ] - [ 0.0052717000000000, -0.0207184700000000, -0.0009536400000000 ] - [ -0.0014087000000000, -0.0001067500000000, -0.0004499000000000 ] - [ 0.0003179500000000, -0.0000095000000000, 0.0007104700000000 ] - [ -0.0019940600000000, -0.0029131800000000, -0.0012796300000000 ] - [ -0.0003042100000000, -0.0001895600000000, 0.0006025700000000 ] - [ 0.0001136900000000, 0.0005271200000000, -0.0001367200000000 ] - [ 0.0033698300000000, -0.0028607800000000, 0.0017984900000000 ] - [ -0.0010153600000000, 0.0016413400000000, 0.0004077400000000 ] - [ -0.0031147200000000, -0.0028705100000000, -0.0008156900000000 ] - [ 0.0038595400000000, 0.0055455200000000, -0.0024545000000000 ] - [ 0.0009951800000000, -0.0016978100000000, -0.0015250800000000 ] - [ -0.0013766100000000, 0.0004324400000000, 0.0004233600000000 ] - [ 0.0060332300000000, 0.0052396900000000, 0.0007048200000000 ] - [ -0.0007461900000000, 0.0032011100000000, 0.0028136000000000 ] - [ -0.0009314800000000, -0.0005945900000000, 0.0009333300000000 ] - [ -0.0001916400000000, -0.0007414600000000, 0.0000426200000000 ] - [ 0.0013278900000000, -0.0019576400000000, -0.0023939900000000 ] - [ -0.0009590800000000, -0.0012538900000000, -0.0005554800000000 ] - [ -0.0004364900000000, 0.0003717100000000, 0.0015342300000000 ] - [ 0.0016620900000000, 0.0022258900000000, -0.0029664100000000 ] - [ -0.0219918600000000, -0.0107855300000000, 0.0127347300000000 ] - [ 0.0087159800000000, -0.0146497200000000, 0.0054088600000000 ] - [ -0.0006915200000000, 0.0014707800000000, 0.0004862900000000 ] - [ 0.0021435100000000, 0.0024491500000000, 0.0010479800000000 ] - [ 0.0008289000000000, 0.0015000900000000, 0.0019312200000000 ] - [ 0.0005401300000000, 0.0014611600000000, 0.0012775800000000 ] - [ 0.0054931200000000, 0.0008860900000000, -0.0206760700000000 ] - [ -0.0044230100000000, -0.0048020300000000, -0.0011395500000000 ] - [ -0.1876935500000000, -0.1314317900000000, 0.1702540600000000 ] - [ 0.0109497000000000, -0.0024218400000000, -0.0014086100000000 ] - [ 0.0005884800000000, 0.0021040400000000, -0.0008625400000000 ] - [ -0.0001321200000000, 0.0032567100000000, -0.0009691500000000 ] - [ -0.0000831300000000, 0.0019140800000000, -0.0000342400000000 ] - [ 0.0002624800000000, 0.0016551900000000, -0.0005021100000000 ] - [ -0.0026462800000000, -0.0034232500000000, -0.0224210500000000 ] - [ -0.0028546600000000, -0.0019781700000000, 0.0011869900000000 ] - [ 0.0010210600000000, -0.0021589200000000, -0.0012025700000000 ] - [ 0.0009626600000000, 0.0027194300000000, 0.0129344900000000 ] - [ -0.0144917000000000, 0.0030846300000000, 0.0044238800000000 ] - [ 0.0038773800000000, 0.0022929500000000, -0.0006177700000000 ] - [ 0.0039495200000000, 0.0009924500000000, -0.0017076900000000 ] - [ -0.0030045100000000, 0.0026959300000000, 0.0009483900000000 ] - [ 0.0005130300000000, -0.0003639400000000, 0.0007491800000000 ] - [ -0.0007533200000000, 0.0000105900000000, -0.0047237100000000 ]- atom: 1 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ -0.2903727900000000, -0.2092573800000000, 0.2405882300000000 ] - [ 0.0067161100000000, 0.0007579700000000, 0.0000959200000000 ] - [ 0.0001961900000000, 0.0007788800000000, -0.0007083200000000 ] - [ -0.0002466600000000, 0.0015502400000000, -0.0004424500000000 ] - [ 0.0008516500000000, 0.0005844100000000, -0.0007077700000000 ] - [ 0.0008435300000000, 0.0005475600000000, -0.0008312700000000 ] - [ 0.0052679800000000, -0.0052624600000000, -0.0064623000000000 ] - [ -0.0020229300000000, -0.0004193700000000, 0.0011121200000000 ] - [ 0.0191051400000000, -0.0049317000000000, 0.0079948400000000 ] - [ 0.0276246200000000, 0.0024383300000000, -0.0029884100000000 ] - [ -0.0000695600000000, 0.0009714900000000, -0.0002387900000000 ] - [ 0.0001882900000000, 0.0005104400000000, -0.0002356000000000 ] - [ -0.0008344100000000, 0.0011142200000000, -0.0003319100000000 ] - [ -0.0008339300000000, 0.0008522600000000, -0.0002861400000000 ] - [ -0.0009315200000000, -0.0015265100000000, -0.0020126700000000 ] - [ -0.0014104300000000, -0.0022925700000000, -0.0050912700000000 ] - [ 0.0088455000000000, 0.0166912500000000, -0.0392961300000000 ] - [ 0.0013979600000000, -0.0017413500000000, 0.0009830400000000 ] - [ 0.0009883500000000, 0.0000019600000000, -0.0002281600000000 ] - [ 0.0008695900000000, 0.0000484500000000, -0.0002263200000000 ] - [ 0.0007456900000000, 0.0009527600000000, 0.0001296800000000 ] - [ 0.0011294500000000, 0.0009266400000000, -0.0001346100000000 ] - [ 0.0213783300000000, 0.0089098900000000, -0.0325535200000000 ] - [ -0.0012125800000000, -0.0005779500000000, 0.0022166100000000 ] - [ -0.0005993800000000, 0.0016910800000000, -0.0049690700000000 ] - [ 0.0000714900000000, -0.0018355000000000, 0.0010364600000000 ] - [ -0.0003964000000000, 0.0004525600000000, 0.0006963700000000 ] - [ 0.0005513900000000, 0.0002121500000000, 0.0003207100000000 ] - [ 0.0004360300000000, 0.0020501100000000, -0.0005297600000000 ] - [ -0.0020200300000000, 0.0027857200000000, -0.0010305300000000 ] - [ 0.0021528500000000, 0.0144655000000000, 0.0088749300000000 ] - [ 0.0012300200000000, -0.0009593400000000, -0.0011243400000000 ] - [ 0.0001059300000000, 0.0006724400000000, 0.0007492700000000 ] - [ -0.0002413800000000, 0.0009721900000000, -0.0003113900000000 ] - [ 0.0037774600000000, 0.0034924900000000, -0.0026892700000000 ] - [ -0.0010105400000000, 0.0003089200000000, -0.0001195700000000 ] - [ -0.0053339800000000, 0.0194127200000000, -0.0000545300000000 ] - [ 0.0013235600000000, -0.0011559100000000, -0.0005056600000000 ] - [ -0.0002266500000000, -0.0012442900000000, 0.0002426400000000 ] - [ 0.0020813600000000, 0.0016563900000000, 0.0022360100000000 ] - [ -0.0004444700000000, 0.0001912100000000, -0.0004419000000000 ] - [ -0.0008244300000000, -0.0004816000000000, 0.0003034500000000 ] - [ -0.0026749200000000, 0.0029105000000000, -0.0019817900000000 ] - [ 0.0017678800000000, -0.0016371100000000, -0.0005693700000000 ] - [ 0.0038791500000000, 0.0028764400000000, 0.0006471800000000 ] - [ -0.0031700300000000, -0.0055545500000000, 0.0023109300000000 ] - [ -0.0017370600000000, 0.0016979800000000, 0.0016910700000000 ] - [ 0.0006356700000000, -0.0004357000000000, -0.0002681900000000 ] - [ -0.0050627100000000, -0.0045148500000000, -0.0004284800000000 ] - [ 0.0017105100000000, -0.0026312100000000, -0.0027323800000000 ] - [ -0.0000175900000000, 0.0012051600000000, -0.0010374600000000 ] - [ -0.0007682000000000, 0.0013516500000000, -0.0001406300000000 ] - [ -0.0022876600000000, 0.0013706200000000, 0.0023030600000000 ] - [ 0.0000096400000000, 0.0006620200000000, 0.0004646000000000 ] - [ 0.0013936900000000, -0.0009644200000000, -0.0014594900000000 ] - [ -0.0007074100000000, -0.0028395200000000, 0.0030605200000000 ] - [ 0.0194014300000000, 0.0095920200000000, -0.0149573200000000 ] - [ -0.0103948200000000, 0.0145275200000000, -0.0073578600000000 ] - [ 0.0023228100000000, -0.0017570900000000, 0.0014006300000000 ] - [ -0.0005112200000000, -0.0027339000000000, 0.0008351000000000 ] - [ 0.0008193100000000, -0.0012543400000000, -0.0000549600000000 ] - [ 0.0010666800000000, -0.0012105600000000, 0.0005980300000000 ] - [ -0.0071621200000000, -0.0006314700000000, 0.0189608600000000 ] - [ 0.0027848700000000, 0.0050838000000000, -0.0007333100000000 ] - [ 0.1977606400000000, 0.1415347800000000, -0.1770280600000000 ] - [ -0.0113780400000000, 0.0028951700000000, 0.0021871500000000 ] - [ -0.0002588400000000, -0.0016786800000000, 0.0000754300000000 ] - [ 0.0004605900000000, -0.0028364000000000, 0.0001845100000000 ] - [ 0.0004167300000000, -0.0023792700000000, -0.0007525000000000 ] - [ 0.0000682800000000, -0.0021160400000000, -0.0002873000000000 ] - [ 0.0022784000000000, 0.0030044600000000, 0.0233077000000000 ] - [ 0.0025624100000000, 0.0015926200000000, -0.0004127700000000 ] - [ -0.0012403300000000, 0.0016423800000000, 0.0013617300000000 ] - [ -0.0011877700000000, -0.0032205300000000, -0.0128059200000000 ] - [ 0.0147499500000000, -0.0036597600000000, -0.0045518400000000 ] - [ -0.0036789300000000, -0.0028164000000000, 0.0004865800000000 ] - [ -0.0037607100000000, -0.0005035400000000, 0.0015775000000000 ] - [ 0.0032582700000000, -0.0022199100000000, -0.0010996300000000 ] - [ -0.0007295300000000, 0.0008055700000000, -0.0006931900000000 ] - [ 0.0005345400000000, 0.0005282700000000, 0.0048712800000000 ]- atom: 9 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ 0.0427902500000000, 0.0024096200000000, 0.0047420100000000 ] - [ 0.0400359100000000, 0.0116127800000000, -0.0059918700000000 ] - [ 0.0006327700000000, -0.0008612500000000, -0.0009204400000000 ] - [ 0.0011279300000000, -0.0006888600000000, -0.0009261000000000 ] - [ -0.0000219500000000, -0.0013931600000000, -0.0004286800000000 ] - [ -0.0000845800000000, -0.0011281100000000, -0.0004677600000000 ] - [ -0.0003914800000000, 0.0016950500000000, 0.0022085600000000 ] - [ -0.0035506800000000, 0.0017421700000000, 0.0009197400000000 ] - [ -0.4358993300000000, 0.1672815000000000, -0.0531939300000000 ] - [ 0.0126956200000000, -0.0013417300000000, 0.0003792900000000 ] - [ -0.0008787200000000, -0.0009425500000000, -0.0003073300000000 ] - [ -0.0009073000000000, -0.0015878400000000, -0.0006556800000000 ] - [ 0.0006650800000000, -0.0008596400000000, -0.0001146200000000 ] - [ -0.0003837400000000, -0.0008457700000000, 0.0000058000000000 ] - [ -0.0001675600000000, 0.0010129100000000, -0.0015490000000000 ] - [ 0.0042843600000000, 0.0033307000000000, 0.0049166100000000 ] - [ 0.0025812500000000, 0.0017374900000000, -0.0047566700000000 ] - [ 0.0151169100000000, -0.0094750800000000, 0.0207776900000000 ] - [ 0.0012620300000000, -0.0013198600000000, -0.0006893900000000 ] - [ 0.0006977900000000, -0.0010433200000000, -0.0002841800000000 ] - [ 0.0006453200000000, -0.0002045400000000, 0.0005015600000000 ] - [ 0.0014063800000000, -0.0004735100000000, 0.0003520300000000 ] - [ 0.0008964700000000, -0.0027430800000000, 0.0203753900000000 ] - [ 0.0015528900000000, 0.0020019100000000, -0.0043489300000000 ] - [ 0.0011413200000000, -0.0022561800000000, 0.0037347200000000 ] - [ -0.0009654900000000, 0.0014133700000000, -0.0042317300000000 ] - [ -0.0006986500000000, -0.0016807800000000, -0.0006477400000000 ] - [ 0.0005160800000000, -0.0021771700000000, -0.0001370500000000 ] - [ -0.0007006700000000, -0.0003130200000000, 0.0005135300000000 ] - [ 0.0006976700000000, -0.0006938700000000, 0.0011210900000000 ] - [ 0.0025312300000000, 0.0048516900000000, 0.0020084200000000 ] - [ 0.0074258400000000, -0.0218541300000000, -0.0138361800000000 ] - [ 0.0025149000000000, -0.0033506300000000, -0.0018937200000000 ] - [ -0.0003943600000000, 0.0009320300000000, 0.0009379800000000 ] - [ 0.0013813300000000, 0.0016270000000000, -0.0012851700000000 ] - [ -0.0030620300000000, -0.0013570000000000, 0.0008042500000000 ] - [ 0.0027470700000000, -0.0043414100000000, 0.0006368000000000 ] - [ -0.0017689100000000, 0.0030579700000000, -0.0008662000000000 ] - [ -0.0040901000000000, -0.0032414000000000, -0.0007547100000000 ] - [ 0.0019201400000000, 0.0000113200000000, 0.0007597700000000 ] - [ 0.0008399600000000, 0.0005996600000000, 0.0004664000000000 ] - [ -0.0034758200000000, -0.0034567900000000, -0.0006718900000000 ] - [ -0.0005178600000000, 0.0008919300000000, -0.0009202100000000 ] - [ 0.0031266600000000, -0.0028574200000000, 0.0024874300000000 ] - [ -0.0085127400000000, -0.0022576700000000, 0.0005728800000000 ] - [ 0.0032149200000000, 0.0004490500000000, -0.0001284800000000 ] - [ -0.0008671400000000, 0.0004400800000000, 0.0006931500000000 ] - [ 0.0011151500000000, -0.0036393000000000, -0.0031024100000000 ] - [ 0.0090680800000000, -0.0227302000000000, -0.0164264600000000 ] - [ 0.0021928300000000, 0.0038603200000000, 0.0033107400000000 ] - [ -0.0002137600000000, -0.0007176700000000, 0.0001069700000000 ] - [ -0.0005375500000000, -0.0003818300000000, 0.0000563300000000 ] - [ 0.0004565900000000, -0.0015527000000000, -0.0005099500000000 ] - [ -0.0017193700000000, -0.0010920200000000, 0.0001475600000000 ] - [ -0.0008888200000000, 0.0013420000000000, -0.0046829100000000 ] - [ 0.0009510800000000, 0.0000808900000000, 0.0017907100000000 ] - [ 0.0221331800000000, -0.0105406400000000, 0.0037556000000000 ] - [ -0.0202687500000000, -0.0147330000000000, -0.0022533700000000 ] - [ 0.0027047200000000, 0.0023593300000000, 0.0006296900000000 ] - [ -0.0022574800000000, 0.0028520400000000, 0.0010066900000000 ] - [ -0.0015669700000000, 0.0035721300000000, 0.0009216000000000 ] - [ 0.0032343300000000, 0.0026034900000000, 0.0010886900000000 ] - [ -0.0015612800000000, -0.0037421000000000, 0.0055612400000000 ] - [ 0.0048986500000000, 0.0015584900000000, -0.0197828400000000 ] - [ -0.0194492200000000, -0.0120752200000000, 0.0112237200000000 ] - [ 0.3071984800000000, -0.0976917600000000, 0.0323290400000000 ] - [ 0.0007118100000000, 0.0025063900000000, 0.0005754300000000 ] - [ 0.0000947700000000, 0.0023827800000000, -0.0005074900000000 ] - [ 0.0006665800000000, 0.0016401800000000, -0.0008924300000000 ] - [ -0.0006867700000000, 0.0025032700000000, -0.0008168200000000 ] - [ -0.0060827700000000, -0.0033740300000000, -0.0105483600000000 ] - [ 0.0012469800000000, -0.0042319000000000, 0.0063412100000000 ] - [ 0.0103637400000000, 0.0074493800000000, 0.0180830800000000 ] - [ -0.0029246000000000, -0.0031845200000000, -0.0037990500000000 ] - [ -0.0047768900000000, 0.0027358200000000, -0.0006473400000000 ] - [ 0.0060983100000000, -0.0002670000000000, -0.0017473500000000 ] - [ -0.0033049300000000, 0.0025293300000000, 0.0002484300000000 ] - [ 0.0031166000000000, 0.0007321700000000, 0.0007357500000000 ] - [ 0.0042673200000000, 0.0092345900000000, 0.0114493900000000 ] - [ -0.0013889900000000, -0.0023411700000000, -0.0035525200000000 ]- atom: 9 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ -0.0430318200000000, -0.0021143800000000, -0.0031360200000000 ] - [ -0.0419300500000000, -0.0113689600000000, 0.0076763700000000 ] - [ 0.0002366100000000, 0.0012672400000000, -0.0004579400000000 ] - [ -0.0002543300000000, 0.0010878200000000, -0.0004502200000000 ] - [ 0.0008973400000000, 0.0010023400000000, -0.0009505400000000 ] - [ 0.0009671400000000, 0.0007446200000000, -0.0009088900000000 ] - [ -0.0004791800000000, -0.0020990000000000, -0.0008460000000000 ] - [ 0.0026890600000000, -0.0021420200000000, 0.0004896200000000 ] - [ 0.4566132200000000, -0.1744352400000000, 0.0552973500000000 ] - [ -0.0119853700000000, 0.0009689400000000, 0.0001400400000000 ] - [ 0.0001371000000000, 0.0005622700000000, -0.0002319500000000 ] - [ 0.0001735200000000, 0.0012185900000000, 0.0001179400000000 ] - [ -0.0014122900000000, 0.0012498600000000, -0.0004262100000000 ] - [ -0.0003636800000000, 0.0012375600000000, -0.0005446900000000 ] - [ 0.0009154300000000, -0.0006302000000000, 0.0020998700000000 ] - [ -0.0035770600000000, -0.0029784200000000, -0.0044184500000000 ] - [ -0.0044719800000000, -0.0025212900000000, 0.0047391000000000 ] - [ -0.0173466500000000, 0.0088908400000000, -0.0212643300000000 ] - [ 0.0006302200000000, 0.0005382400000000, 0.0006904200000000 ] - [ 0.0011972600000000, 0.0002593600000000, 0.0002967300000000 ] - [ 0.0012484000000000, 0.0009946800000000, -0.0004946800000000 ] - [ 0.0004882800000000, 0.0012671300000000, -0.0003436900000000 ] - [ -0.0029076900000000, 0.0035424700000000, -0.0205273500000000 ] - [ -0.0034739800000000, -0.0012294000000000, 0.0044015200000000 ] - [ -0.0010564100000000, 0.0006436100000000, -0.0039088900000000 ] - [ 0.0010552000000000, -0.0030462900000000, 0.0041043900000000 ] - [ 0.0006113400000000, 0.0000631900000000, 0.0007966000000000 ] - [ -0.0006061900000000, 0.0005673100000000, 0.0002838100000000 ] - [ 0.0006282000000000, 0.0019768800000000, -0.0004081500000000 ] - [ -0.0007909500000000, 0.0023184500000000, -0.0009793300000000 ] - [ -0.0024539100000000, -0.0032268500000000, -0.0021522600000000 ] - [ -0.0073595800000000, 0.0238233800000000, 0.0138606600000000 ] - [ -0.0024172600000000, 0.0046000200000000, 0.0028427100000000 ] - [ 0.0004931900000000, 0.0003188100000000, 0.0000182000000000 ] - [ -0.0014769900000000, -0.0003704100000000, 0.0003290100000000 ] - [ 0.0029980300000000, 0.0026276100000000, -0.0017560700000000 ] - [ -0.0028634300000000, 0.0030944400000000, -0.0015931000000000 ] - [ 0.0017288600000000, -0.0043638700000000, -0.0000883100000000 ] - [ 0.0042074800000000, 0.0020033500000000, 0.0017192100000000 ] - [ -0.0018327500000000, -0.0012642300000000, 0.0001986300000000 ] - [ -0.0015846000000000, -0.0005995800000000, -0.0003120700000000 ] - [ 0.0027262800000000, 0.0034638900000000, 0.0008398200000000 ] - [ 0.0012579400000000, -0.0008844800000000, 0.0007643400000000 ] - [ -0.0024089500000000, 0.0028909600000000, -0.0026655700000000 ] - [ 0.0094220100000000, 0.0025984400000000, -0.0008316600000000 ] - [ -0.0024919700000000, -0.0004718900000000, -0.0000266900000000 ] - [ 0.0001255500000000, -0.0004432300000000, -0.0005339300000000 ] - [ -0.0018650500000000, 0.0036574100000000, 0.0032858700000000 ] - [ -0.0080774400000000, 0.0231522400000000, 0.0164169100000000 ] - [ -0.0012419400000000, -0.0033034500000000, -0.0032550400000000 ] - [ -0.0007435500000000, 0.0013244200000000, -0.0002026200000000 ] - [ -0.0004160300000000, 0.0009839100000000, -0.0001474600000000 ] - [ -0.0014159800000000, 0.0009583400000000, 0.0004212500000000 ] - [ 0.0007961100000000, 0.0005278000000000, -0.0002189600000000 ] - [ 0.0018570800000000, -0.0019547100000000, 0.0047941000000000 ] - [ 0.0000028600000000, -0.0006772100000000, -0.0016978600000000 ] - [ -0.0226543600000000, 0.0082273100000000, -0.0046784600000000 ] - [ 0.0187762500000000, 0.0146342600000000, 0.0003852100000000 ] - [ -0.0010719600000000, -0.0026479000000000, 0.0012541600000000 ] - [ 0.0038945500000000, -0.0031464900000000, 0.0008689700000000 ] - [ 0.0032028000000000, -0.0033064800000000, 0.0009616000000000 ] - [ -0.0016064000000000, -0.0023513600000000, 0.0007623400000000 ] - [ -0.0000705100000000, 0.0040183800000000, -0.0074398300000000 ] - [ -0.0065967600000000, -0.0013014600000000, 0.0180330000000000 ] - [ 0.0192123300000000, 0.0125260700000000, -0.0104465800000000 ] - [ -0.3279693000000000, 0.1064016500000000, -0.0340194200000000 ] - [ -0.0003816100000000, -0.0021066700000000, -0.0013509200000000 ] - [ 0.0002362100000000, -0.0019510000000000, -0.0002804600000000 ] - [ -0.0003312700000000, -0.0020885600000000, 0.0001091500000000 ] - [ 0.0010155800000000, -0.0029660100000000, 0.0000324600000000 ] - [ 0.0057905800000000, 0.0029682000000000, 0.0114442000000000 ] - [ -0.0015680600000000, 0.0037960100000000, -0.0056214600000000 ] - [ -0.0106575000000000, -0.0079817300000000, -0.0180540500000000 ] - [ 0.0027156700000000, 0.0026676200000000, 0.0039395800000000 ] - [ 0.0050258100000000, -0.0032492600000000, 0.0005019200000000 ] - [ -0.0060663400000000, -0.0003082100000000, 0.0016641200000000 ] - [ 0.0035415800000000, -0.0020389300000000, -0.0003867300000000 ] - [ -0.0029023800000000, -0.0002180400000000, -0.0008907200000000 ] - [ -0.0044703600000000, -0.0087573600000000, -0.0113564500000000 ] - [ 0.0011688100000000, 0.0028786900000000, 0.0037228500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0093019000000000, -0.0060861300000000, 0.0008790200000000 ] - [ 0.0038263800000000, -0.0104370700000000, 0.0001120700000000 ] - [ -0.0007606900000000, 0.0030871800000000, -0.0000573700000000 ] - [ -0.0003571900000000, 0.0016919700000000, -0.0003510100000000 ] - [ 0.0013406300000000, 0.0018176200000000, -0.0012177400000000 ] - [ 0.0014692800000000, 0.0017320900000000, -0.0008338300000000 ] - [ 0.0006015500000000, -0.0028867200000000, -0.0006693000000000 ] - [ 0.0018506400000000, -0.0032438500000000, -0.0008144100000000 ] - [ 0.1705601500000000, -0.1909073800000000, 0.0523903600000000 ] - [ -0.0007519000000000, -0.0015943400000000, 0.0011655900000000 ] - [ 0.0003799700000000, 0.0012009600000000, -0.0000134200000000 ] - [ 0.0010256600000000, 0.0028220200000000, 0.0001967400000000 ] - [ -0.0014239000000000, 0.0017602900000000, -0.0006481900000000 ] - [ -0.0014109800000000, 0.0025108900000000, -0.0005855100000000 ] - [ -0.0004534300000000, -0.0020941500000000, 0.0003240500000000 ] - [ -0.0027695100000000, -0.0029683300000000, -0.0029264300000000 ] - [ -0.0007202200000000, -0.0022452400000000, 0.0015385400000000 ] - [ -0.0159585600000000, -0.0045806100000000, -0.0118255800000000 ] - [ 0.0006008100000000, 0.0011697400000000, 0.0001080700000000 ] - [ 0.0011316600000000, 0.0006837100000000, 0.0006501300000000 ] - [ 0.0012324200000000, 0.0018479500000000, -0.0007394900000000 ] - [ 0.0005235600000000, 0.0019696800000000, -0.0008214100000000 ] - [ -0.0057082900000000, -0.0006136600000000, -0.0168695700000000 ] - [ -0.0008131600000000, -0.0009123800000000, -0.0008780500000000 ] - [ -0.0004383100000000, -0.0009027000000000, -0.0016575300000000 ] - [ 0.0006703000000000, -0.0031094500000000, 0.0028828100000000 ] - [ 0.0004563900000000, 0.0015235300000000, 0.0006859800000000 ] - [ -0.0003448500000000, 0.0010105300000000, 0.0004743700000000 ] - [ 0.0010271400000000, 0.0065382500000000, -0.0041866700000000 ] - [ -0.0005842300000000, 0.0027199700000000, -0.0010014200000000 ] - [ -0.0001853800000000, -0.0015982500000000, -0.0008764900000000 ] - [ -0.0246085000000000, 0.0298467400000000, 0.0167411300000000 ] - [ -0.0021433900000000, 0.0042609400000000, 0.0022820300000000 ] - [ 0.0005546300000000, 0.0008758300000000, 0.0008417500000000 ] - [ -0.0001415500000000, 0.0003766400000000, 0.0003103000000000 ] - [ 0.0011549800000000, 0.0017770800000000, -0.0024907500000000 ] - [ -0.0034576900000000, 0.0014056600000000, -0.0015632000000000 ] - [ 0.0034623600000000, -0.0017232800000000, -0.0008761400000000 ] - [ 0.0039836200000000, 0.0041662800000000, 0.0029389800000000 ] - [ -0.0010956300000000, -0.0005203100000000, 0.0004342500000000 ] - [ -0.0005302100000000, 0.0004426100000000, -0.0000708500000000 ] - [ 0.0013790300000000, 0.0029268600000000, 0.0012679900000000 ] - [ 0.0008085400000000, -0.0005560000000000, 0.0002837500000000 ] - [ -0.0006539200000000, 0.0009338700000000, -0.0010362100000000 ] - [ 0.0154256500000000, 0.0360593100000000, -0.0116035000000000 ] - [ -0.0005395700000000, -0.0004898900000000, 0.0000300700000000 ] - [ 0.0002097600000000, 0.0002841600000000, 0.0000584800000000 ] - [ -0.0030937800000000, 0.0054329600000000, 0.0041420000000000 ] - [ -0.0113813200000000, 0.0186621700000000, 0.0138925900000000 ] - [ 0.0004763000000000, -0.0011253900000000, -0.0001707000000000 ] - [ -0.0003580300000000, 0.0014241700000000, 0.0003558800000000 ] - [ -0.0005786000000000, 0.0016475700000000, -0.0004745200000000 ] - [ -0.0011568600000000, 0.0011003300000000, 0.0003145400000000 ] - [ 0.0020452900000000, 0.0038355000000000, 0.0022846500000000 ] - [ 0.0007960700000000, -0.0025978500000000, 0.0068208800000000 ] - [ 0.0003006500000000, -0.0011316100000000, -0.0004894700000000 ] - [ -0.0133729600000000, 0.0477459500000000, -0.0137823600000000 ] - [ -0.0000637900000000, 0.0042482200000000, -0.0017669100000000 ] - [ -0.0013320000000000, -0.0060894300000000, 0.0000122900000000 ] - [ 0.0041365100000000, -0.0058456200000000, 0.0011573800000000 ] - [ 0.0020854900000000, -0.0043007400000000, 0.0014362900000000 ] - [ -0.0003403300000000, -0.0049405800000000, -0.0016959800000000 ] - [ -0.0006221700000000, 0.0054188700000000, -0.0050651900000000 ] - [ -0.0025366200000000, 0.0019538400000000, 0.0096440500000000 ] - [ 0.0027438000000000, 0.0075420300000000, -0.0035031700000000 ] - [ -0.0977393800000000, 0.0884454500000000, -0.0167228900000000 ] - [ -0.0000979300000000, -0.0066794000000000, -0.0004313000000000 ] - [ -0.0000075600000000, -0.0030267300000000, -0.0007064700000000 ] - [ 0.0002502100000000, -0.0049993000000000, 0.0003123000000000 ] - [ 0.0006766200000000, -0.0044839100000000, 0.0005048200000000 ] - [ 0.0033482600000000, 0.0048719900000000, 0.0073854700000000 ] - [ -0.0006659800000000, 0.0056524100000000, 0.0003585800000000 ] - [ -0.0078013400000000, -0.0117156200000000, -0.0233314700000000 ] - [ 0.0005914500000000, 0.0010942800000000, 0.0009631100000000 ] - [ 0.0036113700000000, -0.0028948000000000, 0.0005706600000000 ] - [ -0.0139920800000000, -0.0094885500000000, 0.0052470200000000 ] - [ 0.0011263100000000, -0.0013079200000000, -0.0005838100000000 ] - [ -0.0022986000000000, -0.0021370300000000, 0.0009839100000000 ] - [ -0.0028619700000000, -0.0072310100000000, -0.0101256900000000 ] - [ -0.0004091500000000, 0.0009471100000000, 0.0004811100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084846600000000, 0.0065445100000000, 0.0005120100000000 ] - [ -0.0043763100000000, 0.0109361700000000, 0.0012190800000000 ] - [ 0.0016418000000000, -0.0027040600000000, -0.0013203500000000 ] - [ 0.0012328400000000, -0.0013028100000000, -0.0010276600000000 ] - [ -0.0004675900000000, -0.0022175800000000, -0.0001582200000000 ] - [ -0.0006011400000000, -0.0021340900000000, -0.0005470700000000 ] - [ -0.0014729100000000, 0.0024988200000000, 0.0020584500000000 ] - [ -0.0027478300000000, 0.0028653500000000, 0.0022156600000000 ] - [ -0.1709380000000000, 0.1945723400000000, -0.0536676900000000 ] - [ 0.0015610400000000, 0.0011984600000000, -0.0006180000000000 ] - [ -0.0011227400000000, -0.0015901100000000, -0.0005256400000000 ] - [ -0.0017787800000000, -0.0032191700000000, -0.0007367200000000 ] - [ 0.0006856300000000, -0.0013811800000000, 0.0001096900000000 ] - [ 0.0006721400000000, -0.0021351600000000, 0.0000458400000000 ] - [ 0.0011889600000000, 0.0024825300000000, 0.0002063000000000 ] - [ 0.0035361900000000, 0.0033694400000000, 0.0034887800000000 ] - [ -0.0011674000000000, 0.0014595300000000, -0.0015523000000000 ] - [ 0.0140957300000000, 0.0035653800000000, 0.0119018800000000 ] - [ 0.0012986000000000, -0.0019638400000000, -0.0000904200000000 ] - [ 0.0007598100000000, -0.0014728800000000, -0.0006444900000000 ] - [ 0.0006636100000000, -0.0010652700000000, 0.0007501800000000 ] - [ 0.0013679700000000, -0.0011879400000000, 0.0008283500000000 ] - [ 0.0038099200000000, 0.0014549000000000, 0.0169144300000000 ] - [ -0.0010639900000000, 0.0017206900000000, 0.0008313400000000 ] - [ 0.0005311200000000, -0.0007060200000000, 0.0015173600000000 ] - [ -0.0005911500000000, 0.0015184900000000, -0.0030624100000000 ] - [ -0.0005489200000000, -0.0031567600000000, -0.0005526400000000 ] - [ 0.0002558900000000, -0.0026487900000000, -0.0003411700000000 ] - [ -0.0011377200000000, -0.0049668600000000, 0.0043787000000000 ] - [ 0.0004989900000000, -0.0011037300000000, 0.0011473100000000 ] - [ 0.0002838500000000, 0.0032189700000000, 0.0007336000000000 ] - [ 0.0241574500000000, -0.0277141600000000, -0.0166786100000000 ] - [ 0.0022540700000000, -0.0030325200000000, -0.0013464200000000 ] - [ -0.0004786400000000, 0.0003950900000000, 0.0001129600000000 ] - [ 0.0000584100000000, 0.0008770200000000, -0.0012665300000000 ] - [ -0.0012707200000000, -0.0005438800000000, 0.0015349300000000 ] - [ 0.0033991600000000, -0.0026753800000000, 0.0006169100000000 ] - [ -0.0035996500000000, 0.0005096800000000, -0.0000807100000000 ] - [ -0.0038953500000000, -0.0054244200000000, -0.0019769100000000 ] - [ 0.0011806300000000, -0.0007449000000000, 0.0005241300000000 ] - [ -0.0001951500000000, -0.0004195300000000, 0.0002305700000000 ] - [ -0.0021307100000000, -0.0029343800000000, -0.0011206100000000 ] - [ -0.0000713900000000, 0.0005583200000000, -0.0004425400000000 ] - [ 0.0014246600000000, -0.0009652300000000, 0.0009017500000000 ] - [ -0.0149541600000000, -0.0369086500000000, 0.0117068600000000 ] - [ 0.0012995000000000, 0.0005000800000000, -0.0001913900000000 ] - [ -0.0009430200000000, -0.0003007400000000, 0.0001036600000000 ] - [ 0.0023485000000000, -0.0054269000000000, -0.0039647600000000 ] - [ 0.0126102400000000, -0.0183433800000000, -0.0140343600000000 ] - [ 0.0004867200000000, 0.0017591100000000, 0.0002873000000000 ] - [ -0.0005915400000000, -0.0008433600000000, -0.0004371800000000 ] - [ -0.0003802400000000, -0.0010618500000000, 0.0003901600000000 ] - [ 0.0002105000000000, -0.0016994600000000, -0.0004056500000000 ] - [ -0.0030374900000000, -0.0044686400000000, -0.0024041600000000 ] - [ 0.0001583300000000, 0.0019872900000000, -0.0067134300000000 ] - [ 0.0006542900000000, 0.0005271600000000, 0.0005912100000000 ] - [ 0.0142385800000000, -0.0507260700000000, 0.0135038600000000 ] - [ -0.0017024700000000, -0.0046919700000000, -0.0001160600000000 ] - [ 0.0029531200000000, 0.0058354000000000, 0.0018541900000000 ] - [ -0.0024963100000000, 0.0055918400000000, 0.0007197700000000 ] - [ -0.0004725600000000, 0.0045807500000000, 0.0004339000000000 ] - [ 0.0019842200000000, 0.0052248000000000, 0.0036027100000000 ] - [ -0.0010080000000000, -0.0051434000000000, 0.0031876600000000 ] - [ 0.0009508400000000, -0.0016438400000000, -0.0116641900000000 ] - [ -0.0031355600000000, -0.0071100600000000, 0.0043088300000000 ] - [ 0.0961646700000000, -0.0885991100000000, 0.0174058500000000 ] - [ 0.0004266700000000, 0.0071550500000000, -0.0003622000000000 ] - [ 0.0003385600000000, 0.0034727800000000, -0.0000782200000000 ] - [ 0.0000762800000000, 0.0045763200000000, -0.0010961700000000 ] - [ -0.0003422400000000, 0.0040657100000000, -0.0012835700000000 ] - [ -0.0037027700000000, -0.0053236700000000, -0.0066079700000000 ] - [ 0.0003633500000000, -0.0061429200000000, 0.0004662000000000 ] - [ 0.0075524300000000, 0.0112103300000000, 0.0234138900000000 ] - [ -0.0008142100000000, -0.0015899300000000, -0.0008325500000000 ] - [ -0.0034330000000000, 0.0023843400000000, -0.0007120400000000 ] - [ 0.0143540700000000, 0.0089857600000000, -0.0054196400000000 ] - [ -0.0009360000000000, 0.0018624500000000, 0.0004527300000000 ] - [ 0.0025322900000000, 0.0026707800000000, -0.0011160400000000 ] - [ 0.0026678900000000, 0.0077764400000000, 0.0103434800000000 ] - [ 0.0001914600000000, -0.0004774700000000, -0.0003557600000000 ]- atom: 9 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.0134823800000000, -0.0006556800000000, -0.0036761700000000 ] - [ -0.0347916800000000, -0.0094894700000000, -0.0003124500000000 ] - [ 0.0004973000000000, 0.0004785500000000, -0.0005032900000000 ] - [ 0.0002033200000000, 0.0004085300000000, -0.0005274600000000 ] - [ 0.0005007300000000, 0.0002195400000000, -0.0008650600000000 ] - [ 0.0005504300000000, -0.0000938700000000, -0.0008814500000000 ] - [ -0.0008613700000000, 0.0001213200000000, 0.0019296600000000 ] - [ -0.0004549200000000, 0.0000124800000000, 0.0049619500000000 ] - [ 0.1842034600000000, -0.0430168800000000, -0.0509742100000000 ] - [ -0.0058754600000000, 0.0011691000000000, -0.0006280900000000 ] - [ -0.0001423500000000, -0.0000246100000000, -0.0002293300000000 ] - [ -0.0004242800000000, 0.0001311000000000, -0.0000088900000000 ] - [ -0.0007718800000000, 0.0004095200000000, -0.0003471800000000 ] - [ -0.0001316500000000, 0.0004583600000000, -0.0005129700000000 ] - [ -0.0009148700000000, -0.0002814300000000, 0.0017443700000000 ] - [ 0.0023569700000000, 0.0013266000000000, 0.0012935700000000 ] - [ -0.0038516800000000, -0.0009620200000000, 0.0012289000000000 ] - [ 0.0107943600000000, -0.0048370000000000, -0.0001384200000000 ] - [ 0.0006924100000000, -0.0000149900000000, 0.0006757100000000 ] - [ 0.0011839200000000, -0.0001498500000000, 0.0003009800000000 ] - [ 0.0011344800000000, 0.0006235400000000, -0.0005305300000000 ] - [ 0.0006339100000000, 0.0006935100000000, -0.0003027000000000 ] - [ 0.0068434100000000, -0.0052754800000000, 0.0153278800000000 ] - [ -0.0025651400000000, 0.0001706700000000, 0.0045531000000000 ] - [ 0.0004065800000000, -0.0020806300000000, 0.0014902900000000 ] - [ 0.0001614600000000, -0.0013446300000000, 0.0024312500000000 ] - [ -0.0000512100000000, -0.0011659100000000, -0.0000266900000000 ] - [ -0.0001662400000000, -0.0007760500000000, -0.0001551600000000 ] - [ 0.0000873400000000, 0.0004229200000000, 0.0005725700000000 ] - [ -0.0002160500000000, 0.0010883600000000, -0.0001637600000000 ] - [ -0.0009115100000000, -0.0003951100000000, -0.0007968500000000 ] - [ -0.0061545500000000, 0.0140866600000000, -0.0006815200000000 ] - [ -0.0020480900000000, 0.0036301700000000, 0.0022316200000000 ] - [ 0.0008883700000000, 0.0001462900000000, 0.0003736200000000 ] - [ -0.0002074900000000, 0.0004751700000000, 0.0001737700000000 ] - [ -0.0000420700000000, -0.0003060700000000, 0.0000179000000000 ] - [ -0.0001673800000000, -0.0000275400000000, -0.0017819800000000 ] - [ 0.0001276000000000, -0.0026701900000000, -0.0001542600000000 ] - [ 0.0022059400000000, 0.0011346700000000, 0.0010218200000000 ] - [ -0.0008713200000000, -0.0009717300000000, 0.0005237400000000 ] - [ -0.0012536000000000, -0.0007179200000000, 0.0001659400000000 ] - [ 0.0020056900000000, 0.0025175400000000, 0.0002853200000000 ] - [ -0.0003352500000000, -0.0001963700000000, 0.0007813500000000 ] - [ 0.0010770800000000, -0.0006055300000000, 0.0003123700000000 ] - [ 0.0015096700000000, -0.0072461800000000, -0.0013252800000000 ] - [ -0.0008256400000000, -0.0003354900000000, -0.0001182300000000 ] - [ 0.0000309300000000, -0.0003614800000000, 0.0000245600000000 ] - [ -0.0015602300000000, 0.0019540700000000, 0.0015047500000000 ] - [ -0.0095144300000000, 0.0202731200000000, 0.0100651600000000 ] - [ -0.0000003200000000, -0.0012778800000000, -0.0018215000000000 ] - [ -0.0002696800000000, 0.0002151100000000, 0.0002907600000000 ] - [ -0.0008426200000000, -0.0000836600000000, 0.0007015900000000 ] - [ -0.0009059800000000, -0.0000696300000000, -0.0003609500000000 ] - [ -0.0004040100000000, -0.0010269700000000, -0.0009645600000000 ] - [ 0.0004191700000000, 0.0000929800000000, 0.0032169600000000 ] - [ 0.0004967400000000, -0.0007696100000000, 0.0003878500000000 ] - [ -0.0059515600000000, -0.0080146700000000, 0.0188014800000000 ] - [ 0.0107298400000000, 0.0089491300000000, -0.0006707000000000 ] - [ -0.0005542700000000, -0.0012890900000000, 0.0007213600000000 ] - [ 0.0026739600000000, -0.0012420500000000, 0.0003784300000000 ] - [ 0.0027967900000000, -0.0015515400000000, 0.0012548800000000 ] - [ -0.0012060600000000, -0.0007470000000000, 0.0015908800000000 ] - [ 0.0016777800000000, 0.0011795500000000, -0.0057705100000000 ] - [ -0.0034651300000000, 0.0015507900000000, -0.0038901800000000 ] - [ 0.0080975200000000, 0.0031359700000000, -0.0011042600000000 ] - [ -0.1394559400000000, 0.0431655600000000, 0.0268855000000000 ] - [ 0.0000450400000000, 0.0001922600000000, -0.0014283800000000 ] - [ 0.0000703400000000, -0.0002596500000000, -0.0005920200000000 ] - [ -0.0001031300000000, -0.0002815800000000, 0.0004239900000000 ] - [ 0.0006340900000000, -0.0006993000000000, 0.0001177500000000 ] - [ -0.0023355600000000, -0.0018329700000000, -0.0041482800000000 ] - [ 0.0024413900000000, -0.0003126400000000, -0.0066522500000000 ] - [ -0.0038905500000000, -0.0068397200000000, -0.0083476000000000 ] - [ 0.0009036800000000, 0.0011945000000000, 0.0007753600000000 ] - [ 0.0016620200000000, -0.0007776000000000, 0.0007267500000000 ] - [ -0.0001477100000000, 0.0019353500000000, -0.0001265100000000 ] - [ -0.0004454400000000, 0.0008775100000000, 0.0000039500000000 ] - [ 0.0009605300000000, 0.0018635000000000, -0.0013917200000000 ] - [ -0.0026928000000000, -0.0071725000000000, -0.0075600600000000 ] - [ -0.0004407900000000, 0.0019461400000000, 0.0002017700000000 ]- atom: 9 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ 0.0126119200000000, 0.0010542100000000, 0.0051004000000000 ] - [ 0.0332623200000000, 0.0097231600000000, 0.0017061400000000 ] - [ 0.0003758600000000, -0.0000798600000000, -0.0008742000000000 ] - [ 0.0006707200000000, -0.0000128600000000, -0.0008501600000000 ] - [ 0.0003757000000000, -0.0006107400000000, -0.0005137200000000 ] - [ 0.0003263900000000, -0.0002972100000000, -0.0004966300000000 ] - [ -0.0000065800000000, -0.0005212400000000, -0.0005561200000000 ] - [ -0.0004316900000000, -0.0004049700000000, -0.0036390100000000 ] - [ -0.1810260300000000, 0.0413919800000000, 0.0532371400000000 ] - [ 0.0065952400000000, -0.0015482500000000, 0.0011602000000000 ] - [ -0.0006002200000000, -0.0003583700000000, -0.0003097500000000 ] - [ -0.0003161200000000, -0.0005097000000000, -0.0005296900000000 ] - [ 0.0000274400000000, -0.0000237000000000, -0.0001928600000000 ] - [ -0.0006146300000000, -0.0000700100000000, -0.0000265600000000 ] - [ 0.0016611100000000, 0.0006634400000000, -0.0012013000000000 ] - [ -0.0016142300000000, -0.0009389100000000, -0.0007517700000000 ] - [ 0.0019784000000000, 0.0001753500000000, -0.0012425500000000 ] - [ -0.0126683900000000, 0.0040182300000000, 0.0001012100000000 ] - [ 0.0012012100000000, -0.0007694700000000, -0.0006681900000000 ] - [ 0.0007103500000000, -0.0006358500000000, -0.0002900800000000 ] - [ 0.0007601600000000, 0.0001649900000000, 0.0005399900000000 ] - [ 0.0012595200000000, 0.0000954300000000, 0.0003105900000000 ] - [ -0.0086324300000000, 0.0059616300000000, -0.0151795800000000 ] - [ 0.0006667300000000, 0.0006099300000000, -0.0045573100000000 ] - [ -0.0003184400000000, 0.0004598800000000, -0.0016370600000000 ] - [ -0.0000701600000000, -0.0002848900000000, -0.0025657000000000 ] - [ -0.0000386200000000, -0.0004519500000000, 0.0001708500000000 ] - [ 0.0000774200000000, -0.0008456100000000, 0.0002967100000000 ] - [ -0.0001716400000000, 0.0012133600000000, -0.0004412500000000 ] - [ 0.0001244000000000, 0.0005349300000000, 0.0003058000000000 ] - [ 0.0009978400000000, 0.0020153100000000, 0.0006552100000000 ] - [ 0.0061386400000000, -0.0122077300000000, 0.0005276800000000 ] - [ 0.0021432100000000, -0.0023759100000000, -0.0012802800000000 ] - [ -0.0007960200000000, 0.0011090200000000, 0.0005824700000000 ] - [ 0.0001219900000000, 0.0007830700000000, -0.0011275500000000 ] - [ -0.0000568200000000, 0.0015613900000000, -0.0009748200000000 ] - [ 0.0000667000000000, -0.0012231000000000, 0.0008246900000000 ] - [ -0.0002000300000000, 0.0013963700000000, -0.0008023500000000 ] - [ -0.0021052800000000, -0.0023828500000000, -0.0000617300000000 ] - [ 0.0009595700000000, -0.0002842500000000, 0.0004333900000000 ] - [ 0.0005124100000000, 0.0007236600000000, -0.0000078600000000 ] - [ -0.0027483900000000, -0.0025084300000000, -0.0001229300000000 ] - [ 0.0010727100000000, 0.0002071100000000, -0.0009384200000000 ] - [ -0.0003276900000000, 0.0006005600000000, -0.0004631600000000 ] - [ -0.0007107000000000, 0.0072969300000000, 0.0011062600000000 ] - [ 0.0015581500000000, 0.0003234000000000, -0.0000396900000000 ] - [ -0.0007714000000000, 0.0003553800000000, 0.0001361700000000 ] - [ 0.0008127000000000, -0.0019496900000000, -0.0013383900000000 ] - [ 0.0105974900000000, -0.0198664300000000, -0.0100092400000000 ] - [ 0.0009542900000000, 0.0018605200000000, 0.0018962700000000 ] - [ -0.0006829300000000, 0.0003804500000000, -0.0003802900000000 ] - [ -0.0001137600000000, 0.0006820000000000, -0.0007928700000000 ] - [ -0.0000503600000000, -0.0005256100000000, 0.0002710100000000 ] - [ -0.0005436000000000, 0.0004387600000000, 0.0008774600000000 ] - [ 0.0005368500000000, -0.0006818200000000, -0.0031021600000000 ] - [ 0.0004545600000000, 0.0001740000000000, -0.0002954500000000 ] - [ 0.0042975500000000, 0.0079744700000000, -0.0207899200000000 ] - [ -0.0123250000000000, -0.0091683300000000, -0.0012087300000000 ] - [ 0.0021826700000000, 0.0010102800000000, 0.0011533200000000 ] - [ -0.0010390900000000, 0.0009616300000000, 0.0014998000000000 ] - [ -0.0011656500000000, 0.0018187500000000, 0.0006253500000000 ] - [ 0.0028366500000000, 0.0010107200000000, 0.0002802200000000 ] - [ -0.0033178600000000, -0.0009052200000000, 0.0038823500000000 ] - [ 0.0018716000000000, -0.0012757000000000, 0.0019623700000000 ] - [ -0.0083971200000000, -0.0026669700000000, 0.0018650100000000 ] - [ 0.1371347500000000, -0.0415747800000000, -0.0276812300000000 ] - [ 0.0002847600000000, 0.0002336200000000, 0.0006449800000000 ] - [ 0.0002604000000000, 0.0006958300000000, -0.0001944000000000 ] - [ 0.0004348500000000, -0.0001658800000000, -0.0012091100000000 ] - [ -0.0003032800000000, 0.0002547900000000, -0.0009001400000000 ] - [ 0.0020173400000000, 0.0013923400000000, 0.0049699100000000 ] - [ -0.0027833700000000, -0.0001062500000000, 0.0074381100000000 ] - [ 0.0036525700000000, 0.0063005600000000, 0.0084517200000000 ] - [ -0.0011192100000000, -0.0017067000000000, -0.0006374000000000 ] - [ -0.0014316500000000, 0.0002622800000000, -0.0008693200000000 ] - [ 0.0003046200000000, -0.0024729000000000, 0.0000035900000000 ] - [ 0.0006513900000000, -0.0003571800000000, -0.0001390600000000 ] - [ -0.0007357200000000, -0.0013588300000000, 0.0012536200000000 ] - [ 0.0024724200000000, 0.0076682200000000, 0.0076754200000000 ] - [ 0.0002205200000000, -0.0014298200000000, -0.0000554200000000 ]- atom: 17 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.0046485100000000, 0.0059480000000000, -0.0130802500000000 ] - [ 0.0037612200000000, 0.0010545300000000, 0.0004752500000000 ] - [ 0.0002413200000000, 0.0003452200000000, -0.0008562800000000 ] - [ 0.0006750300000000, 0.0000368500000000, -0.0004551300000000 ] - [ -0.0000519100000000, -0.0006115100000000, -0.0007482200000000 ] - [ 0.0008216400000000, 0.0000981300000000, -0.0006715400000000 ] - [ 0.0144671000000000, -0.0075287800000000, -0.0168820700000000 ] - [ 0.0016432000000000, 0.0000581700000000, 0.0022321700000000 ] - [ 0.0038874500000000, 0.0000268800000000, -0.0010084000000000 ] - [ 0.0167910500000000, -0.0153370800000000, 0.0238850600000000 ] - [ -0.0000560100000000, 0.0001561200000000, -0.0003770700000000 ] - [ -0.0006220800000000, -0.0003782900000000, -0.0001433400000000 ] - [ -0.0006728200000000, 0.0004758900000000, -0.0002323500000000 ] - [ 0.0000865500000000, -0.0002299000000000, -0.0003595200000000 ] - [ 0.0023020000000000, 0.0049521700000000, 0.0104433800000000 ] - [ 0.0028861400000000, 0.0000670300000000, -0.0001075600000000 ] - [ -0.1234068700000000, -0.0001724500000000, -0.0803623500000000 ] - [ 0.0005990700000000, -0.0002907000000000, -0.0000621900000000 ] - [ 0.0006621100000000, -0.0003012900000000, -0.0000191600000000 ] - [ 0.0012761400000000, -0.0004545500000000, 0.0002347400000000 ] - [ 0.0007755300000000, 0.0002829200000000, -0.0007437000000000 ] - [ 0.0010578900000000, 0.0005037400000000, 0.0004499400000000 ] - [ -0.0002458700000000, -0.0006486400000000, -0.0041419600000000 ] - [ 0.0008242100000000, 0.0002044600000000, 0.0057074000000000 ] - [ 0.0005105100000000, -0.0020484100000000, -0.0000811200000000 ] - [ 0.0004986300000000, -0.0004198600000000, 0.0008670000000000 ] - [ 0.0001723500000000, -0.0027675000000000, -0.0009452900000000 ] - [ 0.0006210600000000, 0.0003428900000000, 0.0008819100000000 ] - [ -0.0000089800000000, 0.0008172200000000, 0.0000641200000000 ] - [ -0.0001794200000000, 0.0005857300000000, 0.0002870000000000 ] - [ -0.0046848600000000, 0.0030294600000000, 0.0052034600000000 ] - [ 0.0006527300000000, 0.0008117500000000, -0.0002768800000000 ] - [ -0.0008276700000000, 0.0014213800000000, 0.0007104100000000 ] - [ 0.0008931900000000, -0.0001165700000000, 0.0003864800000000 ] - [ 0.0078860100000000, 0.0135757400000000, -0.0089015100000000 ] - [ 0.0020399500000000, 0.0007804500000000, -0.0001470700000000 ] - [ -0.0006362700000000, 0.0002679700000000, -0.0009682100000000 ] - [ 0.0005652400000000, -0.0010548700000000, -0.0001547400000000 ] - [ -0.0001701900000000, -0.0008328900000000, 0.0000284200000000 ] - [ 0.0003095900000000, -0.0004037500000000, 0.0009421400000000 ] - [ -0.0009756900000000, -0.0006600700000000, 0.0000565800000000 ] - [ 0.0007268800000000, 0.0011754400000000, 0.0002922500000000 ] - [ 0.0068566700000000, -0.0124582000000000, 0.0109953500000000 ] - [ 0.0021541700000000, -0.0002681500000000, -0.0002456300000000 ] - [ 0.0010821700000000, 0.0004246300000000, -0.0006176000000000 ] - [ -0.0014958100000000, -0.0023197300000000, 0.0007113900000000 ] - [ -0.0004372900000000, 0.0007412400000000, 0.0004880700000000 ] - [ -0.0007272800000000, 0.0000255800000000, 0.0005232600000000 ] - [ 0.0019575600000000, 0.0052483200000000, -0.0002433200000000 ] - [ 0.0013225600000000, -0.0014256200000000, -0.0007874100000000 ] - [ 0.0005368600000000, 0.0020255100000000, -0.0020269200000000 ] - [ 0.0004998800000000, -0.0017712300000000, 0.0012395500000000 ] - [ -0.0010303400000000, -0.0005321500000000, -0.0002742200000000 ] - [ -0.0001455000000000, -0.0003611100000000, -0.0000665100000000 ] - [ -0.0007013800000000, -0.0000890200000000, -0.0006504900000000 ] - [ 0.0011268700000000, -0.0004991700000000, 0.0012170800000000 ] - [ -0.0045497800000000, -0.0033669800000000, 0.0034736100000000 ] - [ -0.0077086200000000, 0.0105473200000000, -0.0055199600000000 ] - [ 0.0012251900000000, -0.0007632100000000, 0.0028622200000000 ] - [ 0.0007378900000000, 0.0002726700000000, -0.0010113300000000 ] - [ 0.0023411700000000, -0.0000449000000000, 0.0013448000000000 ] - [ -0.0007877300000000, 0.0002452100000000, 0.0006735800000000 ] - [ 0.0243922500000000, 0.0058827900000000, -0.0215000800000000 ] - [ -0.0053055800000000, -0.0001075300000000, -0.0022664600000000 ] - [ 0.0755529600000000, -0.0070148300000000, 0.0933566400000000 ] - [ -0.0062438300000000, -0.0001792400000000, 0.0013368400000000 ] - [ 0.0006635700000000, 0.0001378700000000, -0.0003827800000000 ] - [ -0.0004825600000000, 0.0003821500000000, -0.0006203100000000 ] - [ 0.0004407500000000, 0.0017566100000000, 0.0007433600000000 ] - [ -0.0000368400000000, -0.0015870200000000, -0.0010889600000000 ] - [ -0.0035485800000000, 0.0040776500000000, 0.0044404000000000 ] - [ -0.0054115500000000, -0.0029811100000000, -0.0046674400000000 ] - [ 0.0002497600000000, -0.0005134400000000, 0.0003300900000000 ] - [ -0.0026689300000000, -0.0018354000000000, -0.0027852900000000 ] - [ 0.0025093000000000, 0.0001368200000000, -0.0004474900000000 ] - [ -0.0008684800000000, -0.0002672100000000, -0.0000051100000000 ] - [ -0.0055245000000000, -0.0019042700000000, 0.0005860300000000 ] - [ -0.0057384200000000, 0.0064079300000000, 0.0011420700000000 ] - [ -0.0002420000000000, -0.0033359100000000, -0.0021720100000000 ] - [ -0.0004412500000000, 0.0025520700000000, 0.0004932100000000 ]- atom: 17 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.0037293600000000, -0.0056094400000000, 0.0145415300000000 ] - [ -0.0046297800000000, -0.0006595700000000, 0.0009057300000000 ] - [ 0.0006350700000000, 0.0000476000000000, -0.0005229400000000 ] - [ 0.0002013300000000, 0.0003545100000000, -0.0009241500000000 ] - [ 0.0009281200000000, 0.0002179100000000, -0.0006306500000000 ] - [ 0.0000532900000000, -0.0004933100000000, -0.0007070900000000 ] - [ -0.0151281900000000, 0.0070326000000000, 0.0179672700000000 ] - [ -0.0025251400000000, -0.0004536100000000, -0.0008668100000000 ] - [ -0.0031624300000000, -0.0004196500000000, 0.0015646400000000 ] - [ -0.0156756600000000, 0.0147343700000000, -0.0228954400000000 ] - [ -0.0006882500000000, -0.0005431900000000, -0.0001630800000000 ] - [ -0.0001229300000000, -0.0000076000000000, -0.0003965400000000 ] - [ -0.0000704500000000, -0.0000930200000000, -0.0003070600000000 ] - [ -0.0008307000000000, 0.0006142900000000, -0.0001798100000000 ] - [ -0.0015113200000000, -0.0045817200000000, -0.0098927100000000 ] - [ -0.0021351100000000, 0.0003185100000000, 0.0006471200000000 ] - [ 0.1224922100000000, -0.0002915600000000, 0.0794847200000000 ] - [ -0.0024939600000000, -0.0004930600000000, 0.0000463600000000 ] - [ 0.0012321300000000, -0.0004858200000000, 0.0000285600000000 ] - [ 0.0006182700000000, -0.0003333200000000, -0.0002254100000000 ] - [ 0.0011197200000000, 0.0005023700000000, 0.0007554200000000 ] - [ 0.0008360800000000, 0.0002811800000000, -0.0004393900000000 ] - [ -0.0016429100000000, 0.0014285500000000, 0.0041103100000000 ] - [ -0.0027113600000000, 0.0005821800000000, -0.0056920700000000 ] - [ -0.0004211200000000, 0.0004265600000000, -0.0000619700000000 ] - [ -0.0004053500000000, -0.0011997900000000, -0.0010078600000000 ] - [ -0.0002606700000000, 0.0011468300000000, 0.0010848200000000 ] - [ -0.0007123600000000, -0.0019684000000000, -0.0007406000000000 ] - [ -0.0000801500000000, 0.0008016800000000, 0.0000804200000000 ] - [ 0.0000889900000000, 0.0010322200000000, -0.0001412800000000 ] - [ 0.0047123100000000, -0.0013992800000000, -0.0054074900000000 ] - [ -0.0005631600000000, 0.0008163200000000, 0.0001387400000000 ] - [ 0.0009199900000000, -0.0001641500000000, 0.0002439600000000 ] - [ -0.0008005600000000, 0.0013707100000000, 0.0005680700000000 ] - [ -0.0079748700000000, -0.0121747300000000, 0.0078678800000000 ] - [ -0.0021278200000000, 0.0004774800000000, -0.0008136100000000 ] - [ 0.0005454700000000, -0.0015213300000000, 0.0000117500000000 ] - [ -0.0006531600000000, -0.0002056600000000, -0.0008006000000000 ] - [ 0.0002629000000000, -0.0004225200000000, 0.0009304100000000 ] - [ -0.0002238500000000, -0.0008578900000000, 0.0000123700000000 ] - [ 0.0002337700000000, 0.0006650500000000, 0.0001012900000000 ] - [ -0.0014699000000000, -0.0011705800000000, -0.0001348400000000 ] - [ -0.0061148500000000, 0.0125312100000000, -0.0112351000000000 ] - [ -0.0014203700000000, 0.0002792500000000, 0.0000857100000000 ] - [ -0.0003418400000000, -0.0004353400000000, 0.0004589700000000 ] - [ 0.0022246200000000, 0.0022966600000000, -0.0008671600000000 ] - [ -0.0003005900000000, -0.0007518800000000, -0.0003306000000000 ] - [ -0.0000145700000000, -0.0000318200000000, -0.0003632500000000 ] - [ -0.0010052800000000, -0.0046957600000000, 0.0003441700000000 ] - [ -0.0003659200000000, 0.0020144800000000, 0.0008713400000000 ] - [ -0.0014897000000000, -0.0014273900000000, 0.0019336200000000 ] - [ -0.0014532300000000, 0.0023695400000000, -0.0013341700000000 ] - [ 0.0000738200000000, -0.0000671400000000, 0.0001808400000000 ] - [ -0.0008090300000000, -0.0002375800000000, -0.0000266300000000 ] - [ 0.0016549600000000, -0.0005097400000000, 0.0007496300000000 ] - [ -0.0001729300000000, -0.0000931500000000, -0.0011372300000000 ] - [ 0.0028862600000000, 0.0030868100000000, -0.0053571900000000 ] - [ 0.0060519800000000, -0.0107778000000000, 0.0036301600000000 ] - [ 0.0004004300000000, 0.0004969800000000, -0.0009875600000000 ] - [ 0.0008958200000000, -0.0005380600000000, 0.0028895000000000 ] - [ -0.0007102400000000, 0.0003177200000000, 0.0005348900000000 ] - [ 0.0024185700000000, 0.0000283100000000, 0.0012053800000000 ] - [ -0.0263856700000000, -0.0055889500000000, 0.0194921300000000 ] - [ 0.0036770300000000, 0.0003672000000000, 0.0003997200000000 ] - [ -0.0769510000000000, 0.0073217900000000, -0.0916094700000000 ] - [ 0.0059226100000000, 0.0006104900000000, -0.0005493000000000 ] - [ -0.0003328300000000, 0.0003050500000000, -0.0004033500000000 ] - [ 0.0008137600000000, 0.0000624000000000, -0.0001653200000000 ] - [ -0.0001105700000000, -0.0021979500000000, -0.0015318400000000 ] - [ 0.0003678700000000, 0.0011504200000000, 0.0003027500000000 ] - [ 0.0032320000000000, -0.0045276100000000, -0.0036773600000000 ] - [ 0.0050326100000000, 0.0025233200000000, 0.0054504200000000 ] - [ -0.0004698300000000, -0.0000013000000000, -0.0002032300000000 ] - [ 0.0024623400000000, 0.0013419900000000, 0.0029553100000000 ] - [ -0.0022800100000000, -0.0006452600000000, 0.0003036600000000 ] - [ 0.0010865500000000, -0.0002393400000000, -0.0001360700000000 ] - [ 0.0057598900000000, 0.0024245400000000, -0.0007248500000000 ] - [ 0.0059333400000000, -0.0058794000000000, -0.0012613100000000 ] - [ 0.0000215700000000, 0.0038486900000000, 0.0023205500000000 ] - [ 0.0002245700000000, -0.0020331000000000, -0.0003477500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029740200000000, 0.0004910400000000, -0.0167502500000000 ] - [ -0.0024615900000000, -0.0007193500000000, 0.0010530600000000 ] - [ -0.0001962900000000, 0.0012912800000000, -0.0006101300000000 ] - [ -0.0001804600000000, 0.0015248800000000, -0.0005462400000000 ] - [ 0.0011675700000000, 0.0015122400000000, -0.0008993600000000 ] - [ 0.0011272300000000, 0.0011801100000000, -0.0008946000000000 ] - [ -0.0068919100000000, -0.0023222400000000, 0.0068761400000000 ] - [ 0.0007665800000000, -0.0023230000000000, 0.0002861500000000 ] - [ 0.0025018100000000, -0.0020451500000000, 0.0008829200000000 ] - [ -0.0087636700000000, -0.0042123300000000, -0.0103718500000000 ] - [ 0.0005605200000000, 0.0013752200000000, -0.0001537800000000 ] - [ 0.0002802300000000, 0.0008859600000000, -0.0001632900000000 ] - [ -0.0009698100000000, 0.0016498800000000, -0.0003611500000000 ] - [ -0.0012411800000000, 0.0017716300000000, -0.0004419900000000 ] - [ 0.0035007000000000, -0.0008462600000000, 0.0086643200000000 ] - [ -0.0012431500000000, -0.0011258500000000, -0.0004421700000000 ] - [ -0.0007276300000000, -0.0921605100000000, 0.0691466800000000 ] - [ -0.0008471500000000, -0.0018313500000000, 0.0011835200000000 ] - [ 0.0008541600000000, 0.0005892300000000, 0.0003614500000000 ] - [ 0.0010068300000000, 0.0005746500000000, 0.0003945100000000 ] - [ 0.0008366700000000, 0.0012159500000000, 0.0000813300000000 ] - [ 0.0010569900000000, 0.0010859100000000, 0.0000692000000000 ] - [ 0.0000908700000000, 0.0008514100000000, -0.0013585300000000 ] - [ -0.0007623700000000, 0.0005488100000000, -0.0013291900000000 ] - [ -0.0002519600000000, -0.0004647600000000, -0.0003924900000000 ] - [ 0.0003494000000000, -0.0007760400000000, 0.0004737100000000 ] - [ -0.0006656300000000, 0.0017805500000000, 0.0012645200000000 ] - [ 0.0013068800000000, 0.0014993400000000, 0.0016350100000000 ] - [ -0.0001306300000000, 0.0023849300000000, -0.0006833900000000 ] - [ -0.0002438400000000, 0.0029114300000000, -0.0011403700000000 ] - [ 0.0059934200000000, 0.0072377000000000, 0.0252120100000000 ] - [ -0.0001473700000000, -0.0013051300000000, -0.0013265100000000 ] - [ -0.0007169400000000, 0.0025381200000000, 0.0008652900000000 ] - [ -0.0003972900000000, 0.0016886100000000, 0.0005800900000000 ] - [ 0.0197101600000000, 0.0170411300000000, -0.0123444700000000 ] - [ -0.0018997400000000, -0.0003417800000000, 0.0000441700000000 ] - [ -0.0007022300000000, 0.0013870600000000, -0.0010090200000000 ] - [ -0.0005598000000000, 0.0001486900000000, -0.0005691000000000 ] - [ -0.0005367500000000, -0.0010225000000000, 0.0001248400000000 ] - [ 0.0012500400000000, 0.0005357700000000, 0.0009770200000000 ] - [ -0.0000768100000000, 0.0012339200000000, 0.0001075000000000 ] - [ 0.0013203600000000, 0.0024700000000000, 0.0003252800000000 ] - [ -0.0121280200000000, 0.0111405100000000, -0.0143555400000000 ] - [ 0.0034752300000000, -0.0023188000000000, -0.0006068200000000 ] - [ 0.0015473800000000, 0.0010429200000000, -0.0004879100000000 ] - [ 0.0005065400000000, 0.0016483900000000, -0.0005990300000000 ] - [ -0.0008624500000000, 0.0013210000000000, 0.0008456100000000 ] - [ 0.0001671700000000, -0.0001257700000000, -0.0006270100000000 ] - [ 0.0044229400000000, 0.0067966100000000, 0.0002465200000000 ] - [ -0.0001155100000000, 0.0013125000000000, 0.0006702000000000 ] - [ 0.0013253200000000, 0.0032654500000000, -0.0029360600000000 ] - [ -0.0014354800000000, 0.0027593800000000, -0.0009028000000000 ] - [ -0.0006114200000000, 0.0012551300000000, 0.0005359500000000 ] - [ -0.0003981800000000, 0.0008043700000000, 0.0003062200000000 ] - [ 0.0006805900000000, -0.0017010500000000, -0.0016455900000000 ] - [ 0.0006816700000000, -0.0026502000000000, 0.0029374200000000 ] - [ -0.0085918400000000, -0.0040478900000000, 0.0007501200000000 ] - [ 0.0030711800000000, -0.0048476300000000, 0.0007018700000000 ] - [ 0.0015852000000000, -0.0024977500000000, 0.0025877600000000 ] - [ 0.0001756700000000, -0.0027298700000000, 0.0019698800000000 ] - [ 0.0011477300000000, -0.0039728000000000, 0.0005949100000000 ] - [ 0.0000591000000000, -0.0033176200000000, 0.0007462600000000 ] - [ 0.0034063000000000, 0.0263796800000000, -0.0155040400000000 ] - [ -0.0005057100000000, 0.0064869600000000, -0.0018322100000000 ] - [ -0.0085873500000000, 0.0466425900000000, -0.0344881400000000 ] - [ -0.0004441100000000, 0.0045437800000000, -0.0008494800000000 ] - [ 0.0000771700000000, -0.0025626300000000, -0.0005094000000000 ] - [ -0.0001656200000000, -0.0030274100000000, -0.0004975500000000 ] - [ 0.0005653000000000, -0.0043162100000000, -0.0008441500000000 ] - [ 0.0000792600000000, -0.0036371000000000, -0.0008513100000000 ] - [ 0.0014295700000000, -0.0006628300000000, 0.0019656900000000 ] - [ -0.0030385600000000, 0.0014852900000000, 0.0016680200000000 ] - [ 0.0001860200000000, 0.0013961000000000, 0.0024447300000000 ] - [ -0.0024905100000000, -0.0018630600000000, -0.0047909300000000 ] - [ 0.0007936600000000, -0.0044219400000000, 0.0010562600000000 ] - [ -0.0000549600000000, -0.0027650100000000, 0.0004441500000000 ] - [ -0.0089643700000000, -0.0017774700000000, 0.0002250700000000 ] - [ 0.0077968300000000, -0.0058336800000000, -0.0031611400000000 ] - [ -0.0013311800000000, -0.0051661200000000, -0.0036504000000000 ] - [ 0.0005052300000000, -0.0019469600000000, -0.0003779800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039310700000000, -0.0001016200000000, 0.0183536900000000 ] - [ 0.0015745900000000, 0.0011092700000000, 0.0003283200000000 ] - [ 0.0010696400000000, -0.0008956800000000, -0.0007695000000000 ] - [ 0.0010556900000000, -0.0011329100000000, -0.0008326600000000 ] - [ -0.0002918600000000, -0.0019048000000000, -0.0004779900000000 ] - [ -0.0002506300000000, -0.0015711800000000, -0.0004835600000000 ] - [ 0.0060134100000000, 0.0019756400000000, -0.0054745400000000 ] - [ -0.0016423900000000, 0.0019281700000000, 0.0010887200000000 ] - [ -0.0017579700000000, 0.0016607600000000, -0.0003404900000000 ] - [ 0.0095891800000000, 0.0039354600000000, 0.0109360700000000 ] - [ -0.0012996400000000, -0.0017584500000000, -0.0003868700000000 ] - [ -0.0010243100000000, -0.0012707600000000, -0.0003765900000000 ] - [ 0.0002262300000000, -0.0012632300000000, -0.0001772700000000 ] - [ 0.0004962000000000, -0.0013856700000000, -0.0000966800000000 ] - [ -0.0027795300000000, 0.0012220500000000, -0.0081895500000000 ] - [ 0.0019851600000000, 0.0015074600000000, 0.0009800200000000 ] - [ -0.0007733900000000, 0.0909321400000000, -0.0674234200000000 ] - [ -0.0010483700000000, 0.0010414100000000, -0.0011886800000000 ] - [ 0.0010401200000000, -0.0013753500000000, -0.0003533000000000 ] - [ 0.0008869600000000, -0.0013617100000000, -0.0003871400000000 ] - [ 0.0010588400000000, -0.0004299300000000, -0.0000682400000000 ] - [ 0.0008369600000000, -0.0002998100000000, -0.0000558400000000 ] - [ -0.0019848700000000, -0.0000622400000000, 0.0013509500000000 ] - [ -0.0011388900000000, 0.0002412000000000, 0.0012984700000000 ] - [ 0.0003417000000000, -0.0011504800000000, 0.0002476100000000 ] - [ -0.0002600800000000, -0.0008382400000000, -0.0006245700000000 ] - [ 0.0005732000000000, -0.0033966000000000, -0.0011235800000000 ] - [ -0.0013902000000000, -0.0031125400000000, -0.0014827200000000 ] - [ 0.0000399900000000, -0.0007622900000000, 0.0008243200000000 ] - [ 0.0001543100000000, -0.0012878900000000, 0.0012815400000000 ] - [ -0.0058969800000000, -0.0055825000000000, -0.0251890800000000 ] - [ 0.0002352600000000, 0.0029225600000000, 0.0011813300000000 ] - [ 0.0008079400000000, -0.0012840100000000, 0.0000893200000000 ] - [ 0.0004844300000000, -0.0004279400000000, 0.0003762900000000 ] - [ -0.0195118500000000, -0.0155337900000000, 0.0111886600000000 ] - [ 0.0018085200000000, 0.0015964600000000, -0.0010008300000000 ] - [ 0.0006143100000000, -0.0026383700000000, 0.0000549200000000 ] - [ 0.0004670100000000, -0.0014027300000000, -0.0003878300000000 ] - [ 0.0006267400000000, -0.0002362500000000, 0.0008302500000000 ] - [ -0.0011713200000000, -0.0018043400000000, -0.0000267600000000 ] - [ -0.0006583600000000, -0.0012228300000000, 0.0000510500000000 ] - [ -0.0020686700000000, -0.0024711500000000, -0.0001699000000000 ] - [ 0.0127468300000000, -0.0110635200000000, 0.0139921500000000 ] - [ -0.0027116800000000, 0.0023126900000000, 0.0004450800000000 ] - [ -0.0008106200000000, -0.0010504300000000, 0.0003329800000000 ] - [ 0.0002389000000000, -0.0016438500000000, 0.0004404600000000 ] - [ 0.0001311600000000, -0.0013363000000000, -0.0006943700000000 ] - [ -0.0009085100000000, 0.0001181500000000, 0.0007838500000000 ] - [ -0.0035448300000000, -0.0063039700000000, -0.0001232600000000 ] - [ 0.0010683500000000, -0.0007089000000000, -0.0005727000000000 ] - [ -0.0022651600000000, -0.0026436300000000, 0.0028222200000000 ] - [ 0.0004808600000000, -0.0021591500000000, 0.0008062700000000 ] - [ -0.0003419500000000, -0.0018486400000000, -0.0006235500000000 ] - [ -0.0005576300000000, -0.0013990800000000, -0.0003962900000000 ] - [ 0.0002737200000000, 0.0011003200000000, 0.0017321600000000 ] - [ 0.0002755700000000, 0.0020508400000000, -0.0028500800000000 ] - [ 0.0069451800000000, 0.0037548800000000, -0.0026509000000000 ] - [ -0.0046707900000000, 0.0045255700000000, -0.0025742600000000 ] - [ 0.0000351000000000, 0.0022307600000000, -0.0007001000000000 ] - [ 0.0014615100000000, 0.0024665800000000, -0.0000891700000000 ] - [ 0.0004789600000000, 0.0042414400000000, 0.0012804200000000 ] - [ 0.0015762100000000, 0.0035849100000000, 0.0011329300000000 ] - [ -0.0050193600000000, -0.0264228900000000, 0.0133403100000000 ] - [ -0.0011280500000000, -0.0062055600000000, -0.0000401600000000 ] - [ 0.0077144400000000, -0.0458215500000000, 0.0337995900000000 ] - [ 0.0001227000000000, -0.0040931300000000, 0.0016282900000000 ] - [ 0.0002552300000000, 0.0029981900000000, -0.0002737100000000 ] - [ 0.0004943900000000, 0.0034645300000000, -0.0002858000000000 ] - [ -0.0002337900000000, 0.0038691000000000, 0.0000526400000000 ] - [ 0.0002505800000000, 0.0031887400000000, 0.0000594600000000 ] - [ -0.0017481900000000, 0.0002132600000000, -0.0011798700000000 ] - [ 0.0027047000000000, -0.0019279200000000, -0.0008665100000000 ] - [ -0.0004020300000000, -0.0019072000000000, -0.0022981400000000 ] - [ 0.0022853600000000, 0.0013713600000000, 0.0049953300000000 ] - [ -0.0005770800000000, 0.0039030100000000, -0.0011999400000000 ] - [ 0.0002787000000000, 0.0022494700000000, -0.0005842200000000 ] - [ 0.0091818600000000, 0.0022948300000000, -0.0003828200000000 ] - [ -0.0075773800000000, 0.0063449300000000, 0.0030304300000000 ] - [ 0.0011191900000000, 0.0056939400000000, 0.0038200900000000 ] - [ -0.0007284400000000, 0.0024509100000000, 0.0005172400000000 ]- atom: 17 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.0070287800000000, -0.0217585400000000, 0.0418211400000000 ] - [ 0.0000691200000000, 0.0002082600000000, 0.0014293000000000 ] - [ 0.0004774200000000, -0.0002201200000000, -0.0004056100000000 ] - [ 0.0007992500000000, 0.0001922000000000, -0.0002860600000000 ] - [ 0.0003296300000000, -0.0006900900000000, -0.0009994700000000 ] - [ -0.0000327100000000, -0.0009909700000000, -0.0007231000000000 ] - [ -0.0322303000000000, 0.0151600900000000, 0.0274556000000000 ] - [ 0.0027496700000000, -0.0009017500000000, 0.0002322000000000 ] - [ -0.0055181400000000, 0.0010169400000000, -0.0002732700000000 ] - [ 0.0099098400000000, -0.0025555100000000, -0.0012448100000000 ] - [ -0.0011232700000000, -0.0004543100000000, 0.0001029900000000 ] - [ -0.0004921600000000, -0.0006488500000000, -0.0001875200000000 ] - [ 0.0002079300000000, -0.0005894300000000, -0.0005674200000000 ] - [ -0.0003106400000000, -0.0002962300000000, -0.0003512100000000 ] - [ 0.0168322300000000, 0.0121394200000000, 0.0206410400000000 ] - [ -0.0046380400000000, 0.0009874900000000, 0.0027701000000000 ] - [ -0.0096034000000000, 0.0576217200000000, -0.4461495900000000 ] - [ -0.0017889300000000, 0.0005692600000000, -0.0024094400000000 ] - [ 0.0010730000000000, -0.0007459400000000, -0.0000535000000000 ] - [ 0.0009756400000000, -0.0006963000000000, 0.0004149500000000 ] - [ 0.0003944400000000, 0.0005159600000000, -0.0007346600000000 ] - [ 0.0012721500000000, 0.0003925600000000, -0.0009422200000000 ] - [ -0.0048500500000000, 0.0020743200000000, 0.0114122000000000 ] - [ 0.0030114200000000, 0.0016175100000000, 0.0052767300000000 ] - [ -0.0014209300000000, 0.0022608100000000, -0.0006759900000000 ] - [ 0.0009951700000000, 0.0018553600000000, -0.0024965500000000 ] - [ 0.0002067400000000, -0.0026938200000000, -0.0021530700000000 ] - [ -0.0018910400000000, -0.0037693900000000, -0.0024675200000000 ] - [ -0.0001091400000000, 0.0001776400000000, 0.0006192400000000 ] - [ 0.0003571500000000, -0.0005899000000000, 0.0012002300000000 ] - [ 0.0134655400000000, 0.0223872200000000, 0.0318987200000000 ] - [ -0.0001822500000000, 0.0022442900000000, 0.0017393000000000 ] - [ 0.0004987300000000, 0.0002301800000000, -0.0005550800000000 ] - [ -0.0003618500000000, 0.0007444000000000, 0.0000486800000000 ] - [ -0.0203600700000000, -0.0213935300000000, 0.0079213000000000 ] - [ 0.0020587700000000, 0.0008640900000000, -0.0007286700000000 ] - [ 0.0002620400000000, -0.0051685700000000, 0.0001637800000000 ] - [ 0.0001258300000000, -0.0007808100000000, -0.0000651300000000 ] - [ -0.0013605600000000, -0.0011446700000000, 0.0017291100000000 ] - [ 0.0049574300000000, 0.0039899900000000, 0.0031031900000000 ] - [ -0.0001813700000000, 0.0000307100000000, -0.0005101800000000 ] - [ -0.0012463400000000, -0.0010828400000000, -0.0006331000000000 ] - [ 0.0157376500000000, -0.0154931100000000, 0.0069415200000000 ] - [ -0.0038962100000000, 0.0011106200000000, 0.0010967300000000 ] - [ -0.0008581800000000, -0.0009991600000000, 0.0004964600000000 ] - [ 0.0016282000000000, -0.0016658500000000, 0.0003775300000000 ] - [ -0.0031015400000000, 0.0037294100000000, 0.0030927800000000 ] - [ 0.0006196200000000, -0.0010255900000000, 0.0012635400000000 ] - [ -0.0012683900000000, -0.0050429000000000, -0.0049656000000000 ] - [ 0.0009977900000000, -0.0007661000000000, -0.0019894600000000 ] - [ -0.0032396900000000, -0.0033067600000000, 0.0045055000000000 ] - [ 0.0013380400000000, -0.0027076800000000, 0.0018494700000000 ] - [ -0.0001140400000000, -0.0016223700000000, -0.0013515700000000 ] - [ -0.0006597800000000, -0.0007139900000000, -0.0002505900000000 ] - [ -0.0000078100000000, -0.0032220300000000, 0.0061582400000000 ] - [ 0.0010056500000000, -0.0017588400000000, 0.0073632000000000 ] - [ 0.0199942100000000, 0.0142386400000000, -0.0027121800000000 ] - [ -0.0063059100000000, 0.0048565000000000, -0.0050115900000000 ] - [ 0.0044990900000000, -0.0008975400000000, -0.0017482700000000 ] - [ -0.0019280300000000, -0.0012506600000000, -0.0016801300000000 ] - [ 0.0001481600000000, 0.0013044800000000, 0.0022279500000000 ] - [ 0.0016690100000000, 0.0009468800000000, 0.0009746100000000 ] - [ -0.0276677400000000, -0.0149306800000000, 0.0596071200000000 ] - [ 0.0009039400000000, 0.0004724400000000, -0.0034914900000000 ] - [ 0.0388270100000000, -0.0307312800000000, 0.2538450900000000 ] - [ 0.0041596200000000, -0.0032824000000000, 0.0018680600000000 ] - [ 0.0002321500000000, 0.0012144900000000, -0.0006956900000000 ] - [ 0.0001174200000000, 0.0014033800000000, -0.0014285900000000 ] - [ 0.0005254000000000, 0.0009955400000000, 0.0009400600000000 ] - [ -0.0001100300000000, 0.0025343700000000, 0.0014706100000000 ] - [ 0.0088506600000000, -0.0110596300000000, -0.0128233700000000 ] - [ -0.0167953500000000, -0.0068012800000000, -0.0007994600000000 ] - [ 0.0003790300000000, 0.0025948800000000, -0.0057552700000000 ] - [ -0.0051701600000000, -0.0091481900000000, -0.0168500900000000 ] - [ -0.0024688900000000, 0.0045270000000000, -0.0001127400000000 ] - [ 0.0010264900000000, 0.0009842400000000, -0.0009047400000000 ] - [ 0.0125799400000000, 0.0052085300000000, -0.0015428100000000 ] - [ -0.0091153900000000, 0.0086574000000000, 0.0060881600000000 ] - [ 0.0002753300000000, 0.0020902000000000, 0.0062438700000000 ] - [ 0.0008935200000000, -0.0005518100000000, 0.0033365200000000 ]- atom: 17 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ 0.0061586700000000, 0.0217146900000000, -0.0396395700000000 ] - [ -0.0010092700000000, 0.0001728100000000, -0.0000462800000000 ] - [ 0.0003964200000000, 0.0006191100000000, -0.0009732500000000 ] - [ 0.0000724400000000, 0.0002050300000000, -0.0010930000000000 ] - [ 0.0005471500000000, 0.0003018200000000, -0.0003773700000000 ] - [ 0.0009120600000000, 0.0006045400000000, -0.0006554600000000 ] - [ 0.0320235500000000, -0.0158107800000000, -0.0265702500000000 ] - [ -0.0036290100000000, 0.0005055300000000, 0.0011526400000000 ] - [ 0.0062536800000000, -0.0014050400000000, 0.0008107400000000 ] - [ -0.0094893400000000, 0.0023678500000000, 0.0014252300000000 ] - [ 0.0003859800000000, 0.0000733200000000, -0.0006431700000000 ] - [ -0.0002493000000000, 0.0002698700000000, -0.0003510500000000 ] - [ -0.0009559700000000, 0.0009811400000000, 0.0000292000000000 ] - [ -0.0004344200000000, 0.0006857200000000, -0.0001882500000000 ] - [ -0.0162927400000000, -0.0119608500000000, -0.0204317700000000 ] - [ 0.0054559400000000, -0.0006075800000000, -0.0022343000000000 ] - [ 0.0008773000000000, -0.0595968600000000, 0.4441105200000000 ] - [ -0.0001092100000000, -0.0013635300000000, 0.0024232500000000 ] - [ 0.0008202300000000, -0.0000361000000000, 0.0000665300000000 ] - [ 0.0009186600000000, -0.0000862200000000, -0.0004039000000000 ] - [ 0.0015029900000000, 0.0002717600000000, 0.0007462600000000 ] - [ 0.0006209600000000, 0.0003966600000000, 0.0009551300000000 ] - [ 0.0029590800000000, -0.0013156600000000, -0.0114953900000000 ] - [ -0.0049491200000000, -0.0008293600000000, -0.0053863200000000 ] - [ 0.0015258900000000, -0.0039294300000000, 0.0005613700000000 ] - [ -0.0009145400000000, -0.0034900700000000, 0.0023611500000000 ] - [ -0.0002960400000000, 0.0010836700000000, 0.0023134500000000 ] - [ 0.0018183900000000, 0.0021698600000000, 0.0026337400000000 ] - [ 0.0000170900000000, 0.0014492900000000, -0.0004808300000000 ] - [ -0.0004432100000000, 0.0022221700000000, -0.0010655300000000 ] - [ -0.0131967700000000, -0.0206491900000000, -0.0319630700000000 ] - [ 0.0002653000000000, -0.0006380900000000, -0.0018991200000000 ] - [ -0.0004117000000000, 0.0010350200000000, 0.0015183000000000 ] - [ 0.0004545500000000, 0.0005151100000000, 0.0009173300000000 ] - [ 0.0204468300000000, 0.0229555000000000, -0.0089110100000000 ] - [ -0.0021660900000000, 0.0003892800000000, -0.0002198700000000 ] - [ -0.0003392900000000, 0.0038928000000000, -0.0011285000000000 ] - [ -0.0002261800000000, -0.0004669000000000, -0.0008946900000000 ] - [ 0.0014585500000000, -0.0001052800000000, -0.0007808300000000 ] - [ -0.0048630600000000, -0.0052474500000000, -0.0021482800000000 ] - [ -0.0005571300000000, -0.0000177700000000, 0.0006772200000000 ] - [ 0.0005163100000000, 0.0011027600000000, 0.0007968200000000 ] - [ -0.0151697800000000, 0.0156764300000000, -0.0071477200000000 ] - [ 0.0046577100000000, -0.0011043800000000, -0.0012582900000000 ] - [ 0.0015953200000000, 0.0009906900000000, -0.0006629000000000 ] - [ -0.0008617100000000, 0.0017029100000000, -0.0005523100000000 ] - [ 0.0023685300000000, -0.0037501200000000, -0.0029445200000000 ] - [ -0.0013661000000000, 0.0010274900000000, -0.0011124900000000 ] - [ 0.0022509300000000, 0.0056768900000000, 0.0050524200000000 ] - [ -0.0000566300000000, 0.0013943200000000, 0.0021187600000000 ] - [ 0.0023015300000000, 0.0039291000000000, -0.0046266600000000 ] - [ -0.0023083200000000, 0.0033336000000000, -0.0019516000000000 ] - [ -0.0008356200000000, 0.0010347000000000, 0.0012620500000000 ] - [ -0.0002958500000000, 0.0001211600000000, 0.0001604700000000 ] - [ 0.0009635100000000, 0.0026508500000000, -0.0061120300000000 ] - [ -0.0000502500000000, 0.0011651700000000, -0.0073023700000000 ] - [ -0.0216112600000000, -0.0144902300000000, 0.0009189600000000 ] - [ 0.0048060900000000, -0.0053238600000000, 0.0032037200000000 ] - [ -0.0028880900000000, 0.0006230400000000, 0.0036400700000000 ] - [ 0.0035714600000000, 0.0009761200000000, 0.0035731500000000 ] - [ 0.0014874200000000, -0.0010516500000000, -0.0003552200000000 ] - [ -0.0000452000000000, -0.0006884800000000, 0.0009034400000000 ] - [ 0.0272890700000000, 0.0173898400000000, -0.0680370200000000 ] - [ -0.0025653400000000, -0.0002111100000000, 0.0016064300000000 ] - [ -0.0342177800000000, 0.0302775800000000, -0.2440914600000000 ] - [ -0.0044608600000000, 0.0037663800000000, -0.0011063300000000 ] - [ 0.0000983000000000, -0.0007845900000000, -0.0000901800000000 ] - [ 0.0002131200000000, -0.0009744500000000, 0.0006452500000000 ] - [ -0.0001952700000000, -0.0014435400000000, -0.0017271900000000 ] - [ 0.0004430900000000, -0.0029953700000000, -0.0022633500000000 ] - [ -0.0091933600000000, 0.0106903200000000, 0.0136212800000000 ] - [ 0.0165684600000000, 0.0064064600000000, 0.0016132600000000 ] - [ -0.0005913600000000, -0.0031286100000000, 0.0059439000000000 ] - [ 0.0050048600000000, 0.0087032100000000, 0.0170725700000000 ] - [ 0.0026516300000000, -0.0050631700000000, -0.0000041600000000 ] - [ -0.0007951600000000, -0.0015051500000000, 0.0007715500000000 ] - [ -0.0123955900000000, -0.0047093300000000, 0.0014084000000000 ] - [ 0.0093842900000000, -0.0081891600000000, -0.0062784300000000 ] - [ -0.0005053700000000, -0.0016087300000000, -0.0061510000000000 ] - [ -0.0011220800000000, 0.0010564700000000, -0.0032582400000000 ]- atom: 25 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.0013948100000000, -0.0000344800000000, 0.0008796900000000 ] - [ 0.0001769500000000, 0.0006629900000000, 0.0010267800000000 ] - [ 0.0001493900000000, 0.0004258800000000, -0.0004554600000000 ] - [ 0.0008034500000000, -0.0002099900000000, -0.0011640100000000 ] - [ 0.0009754600000000, 0.0001280800000000, -0.0009251500000000 ] - [ -0.0015675400000000, -0.0027617000000000, 0.0004200000000000 ] - [ 0.0038730800000000, -0.0235202500000000, 0.0007683200000000 ] - [ 0.0015166800000000, -0.0005484600000000, 0.0004872900000000 ] - [ 0.0014729600000000, -0.0006768400000000, 0.0013541900000000 ] - [ -0.0006393300000000, 0.0004405100000000, -0.0002001800000000 ] - [ -0.0010280900000000, -0.0006982600000000, -0.0006711400000000 ] - [ 0.0001871400000000, 0.0001055000000000, -0.0000768100000000 ] - [ -0.0010367600000000, 0.0012716100000000, -0.0005153700000000 ] - [ 0.0003747300000000, -0.0003529000000000, -0.0000214900000000 ] - [ 0.0028689600000000, 0.0004317900000000, 0.0006495600000000 ] - [ 0.0078017700000000, 0.0246911700000000, -0.0025132100000000 ] - [ -0.0004805100000000, -0.0006896700000000, -0.0014449700000000 ] - [ -0.0004966100000000, -0.0000889600000000, 0.0013749800000000 ] - [ 0.0011620700000000, 0.0002230600000000, 0.0004253000000000 ] - [ 0.0016175400000000, -0.0017475100000000, -0.0017649800000000 ] - [ 0.0009830300000000, 0.0003056000000000, -0.0000458700000000 ] - [ 0.0008124000000000, 0.0001911700000000, 0.0003940700000000 ] - [ -0.0056371500000000, -0.0055565100000000, 0.0126905400000000 ] - [ -0.0003399000000000, 0.0005864900000000, 0.0000970500000000 ] - [ -0.0925422800000000, 0.0315174900000000, -0.0654559400000000 ] - [ 0.0011093400000000, -0.0005480000000000, -0.0001157400000000 ] - [ 0.0001927600000000, -0.0010405300000000, -0.0000264800000000 ] - [ -0.0008006400000000, -0.0014388000000000, -0.0001174600000000 ] - [ 0.0009129000000000, 0.0014826000000000, 0.0018681400000000 ] - [ -0.0001597100000000, 0.0008701300000000, -0.0010221900000000 ] - [ -0.0002170600000000, 0.0003434100000000, -0.0009071600000000 ] - [ 0.0002757400000000, 0.0010383400000000, 0.0006434600000000 ] - [ 0.0023012300000000, 0.0011590700000000, -0.0004332400000000 ] - [ 0.0192249100000000, -0.0266286100000000, 0.0191716500000000 ] - [ -0.0010008600000000, -0.0022338400000000, -0.0008956600000000 ] - [ 0.0003662600000000, 0.0008503400000000, -0.0003785600000000 ] - [ -0.0009941700000000, 0.0000919400000000, -0.0012703500000000 ] - [ 0.0008167900000000, -0.0010002800000000, 0.0005994300000000 ] - [ -0.0002352900000000, -0.0009928500000000, 0.0006548800000000 ] - [ 0.0002518100000000, -0.0004350200000000, 0.0001830900000000 ] - [ -0.0042683800000000, 0.0089806700000000, -0.0081524900000000 ] - [ 0.0032922800000000, 0.0012287700000000, 0.0001385300000000 ] - [ 0.0012650400000000, -0.0006564200000000, -0.0001774100000000 ] - [ -0.0016107900000000, 0.0017984500000000, 0.0006155900000000 ] - [ 0.0013784700000000, 0.0009348000000000, 0.0006813400000000 ] - [ -0.0005266400000000, -0.0003560900000000, -0.0000879400000000 ] - [ -0.0006689700000000, 0.0001190100000000, -0.0000787100000000 ] - [ 0.0001236500000000, -0.0005400500000000, 0.0002293700000000 ] - [ 0.0010899400000000, 0.0006190500000000, -0.0000353200000000 ] - [ -0.0073614400000000, 0.0032637500000000, 0.0109257300000000 ] - [ -0.0010444500000000, 0.0000714100000000, 0.0001706100000000 ] - [ -0.0001749300000000, 0.0000903700000000, 0.0000130900000000 ] - [ -0.0003115100000000, -0.0004508200000000, -0.0009954700000000 ] - [ 0.0001033700000000, 0.0001834200000000, 0.0040097200000000 ] - [ 0.0010337600000000, -0.0017500300000000, 0.0017038100000000 ] - [ 0.0013724000000000, 0.0015432000000000, -0.0014955500000000 ] - [ 0.0001794300000000, -0.0026306300000000, -0.0050696100000000 ] - [ 0.0003337000000000, -0.0023325000000000, -0.0039914000000000 ] - [ 0.0017893000000000, 0.0003831800000000, 0.0010362200000000 ] - [ -0.0001659800000000, 0.0001520500000000, 0.0006289800000000 ] - [ -0.0018073100000000, -0.0026949700000000, 0.0017861000000000 ] - [ -0.0057418300000000, 0.0087559700000000, -0.0028519700000000 ] - [ -0.0083191400000000, 0.0046590300000000, -0.0012405100000000 ] - [ -0.0048096000000000, -0.0052122700000000, -0.0051110600000000 ] - [ 0.0006498300000000, 0.0008713700000000, 0.0026334300000000 ] - [ -0.0017742600000000, -0.0001249400000000, -0.0010355300000000 ] - [ -0.0003105900000000, -0.0011136400000000, -0.0012895700000000 ] - [ 0.0005286300000000, 0.0013623600000000, 0.0019649600000000 ] - [ -0.0008596000000000, 0.0001224200000000, -0.0002935400000000 ] - [ 0.0025726000000000, 0.0005175600000000, -0.0011770400000000 ] - [ 0.0368261500000000, 0.0072220600000000, -0.0009661000000000 ] - [ -0.0041536300000000, -0.0005698000000000, 0.0006259100000000 ] - [ -0.0003474600000000, 0.0010752600000000, -0.0011745600000000 ] - [ 0.0003729600000000, -0.0009901600000000, 0.0016770400000000 ] - [ 0.0005937600000000, -0.0001009700000000, 0.0021296800000000 ] - [ -0.0018899700000000, -0.0017534200000000, -0.0037068900000000 ] - [ 0.0032545300000000, 0.0013804000000000, -0.0003807500000000 ] - [ -0.0009583600000000, 0.0007886800000000, -0.0000114900000000 ] - [ -0.0048411900000000, -0.0007401400000000, 0.0008797700000000 ] - [ 0.0535295900000000, -0.0197201000000000, 0.0442060100000000 ]- atom: 25 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.0005144300000000, 0.0004275200000000, 0.0005057800000000 ] - [ -0.0010553400000000, -0.0002760200000000, 0.0003490600000000 ] - [ 0.0007278000000000, -0.0000365100000000, -0.0009247800000000 ] - [ 0.0000748500000000, 0.0005988400000000, -0.0002178800000000 ] - [ -0.0001007500000000, -0.0005258500000000, -0.0004518100000000 ] - [ 0.0024295200000000, 0.0023442600000000, -0.0017903400000000 ] - [ -0.0047046900000000, 0.0232968900000000, 0.0006688400000000 ] - [ -0.0024014200000000, 0.0001594200000000, 0.0008919800000000 ] - [ -0.0007282800000000, 0.0002928100000000, -0.0008092700000000 ] - [ 0.0013844400000000, -0.0008251500000000, 0.0007390800000000 ] - [ 0.0002827400000000, 0.0003083800000000, 0.0001285500000000 ] - [ -0.0009331900000000, -0.0004937700000000, -0.0004637600000000 ] - [ 0.0002914300000000, -0.0008873200000000, -0.0000228700000000 ] - [ -0.0011152600000000, 0.0007331700000000, -0.0005160800000000 ] - [ -0.0021196900000000, -0.0000394900000000, -0.0001096100000000 ] - [ -0.0069779600000000, -0.0240572600000000, 0.0029696300000000 ] - [ -0.0014123300000000, -0.0000971300000000, 0.0014331200000000 ] - [ -0.0013995000000000, -0.0007004100000000, -0.0013875200000000 ] - [ 0.0007303500000000, -0.0010132200000000, -0.0004169700000000 ] - [ 0.0002819400000000, 0.0009523400000000, 0.0017623500000000 ] - [ 0.0009117800000000, 0.0004773600000000, 0.0000577800000000 ] - [ 0.0010810400000000, 0.0005909500000000, -0.0003796400000000 ] - [ 0.0037685900000000, 0.0063581200000000, -0.0127870600000000 ] - [ -0.0015547000000000, 0.0002022700000000, -0.0001099700000000 ] - [ 0.0932607400000000, -0.0319041600000000, 0.0647249700000000 ] - [ -0.0010210600000000, -0.0010637700000000, -0.0000324200000000 ] - [ -0.0002832100000000, -0.0005868100000000, 0.0001677800000000 ] - [ 0.0007084800000000, -0.0001938000000000, 0.0002563500000000 ] - [ -0.0010100600000000, 0.0001349600000000, -0.0017344600000000 ] - [ 0.0000705200000000, 0.0007525700000000, 0.0011599900000000 ] - [ 0.0003062600000000, 0.0012751200000000, 0.0007638600000000 ] - [ -0.0001870400000000, 0.0005782900000000, -0.0007877200000000 ] - [ -0.0022264300000000, 0.0000900300000000, 0.0013991200000000 ] - [ -0.0187805300000000, 0.0274516800000000, -0.0179139300000000 ] - [ 0.0009067900000000, 0.0034823600000000, -0.0000607900000000 ] - [ -0.0004602200000000, 0.0004026600000000, -0.0005781200000000 ] - [ 0.0008986200000000, -0.0013419900000000, 0.0003105000000000 ] - [ -0.0009170800000000, -0.0002444000000000, -0.0015693000000000 ] - [ 0.0003238000000000, -0.0002693300000000, 0.0003016000000000 ] - [ -0.0001634800000000, -0.0008274500000000, 0.0007744500000000 ] - [ 0.0034750100000000, -0.0090621800000000, 0.0083954600000000 ] - [ -0.0040260300000000, -0.0012186500000000, 0.0000229700000000 ] - [ -0.0005214400000000, 0.0006605400000000, 0.0000175500000000 ] - [ 0.0023536900000000, -0.0017979500000000, -0.0007764900000000 ] - [ -0.0006350300000000, -0.0009329300000000, -0.0008363100000000 ] - [ 0.0012715900000000, 0.0003537600000000, -0.0000719300000000 ] - [ -0.0000688500000000, -0.0001319000000000, 0.0002381400000000 ] - [ -0.0008602800000000, 0.0005262900000000, -0.0000707000000000 ] - [ -0.0001370200000000, -0.0000147000000000, 0.0001353200000000 ] - [ 0.0082743200000000, -0.0026227600000000, -0.0108375100000000 ] - [ 0.0000891400000000, 0.0005195100000000, -0.0002607600000000 ] - [ -0.0007796800000000, 0.0005023600000000, -0.0001045700000000 ] - [ -0.0006437500000000, -0.0001448900000000, 0.0009072600000000 ] - [ -0.0010585800000000, -0.0007741400000000, -0.0040835600000000 ] - [ -0.0000742000000000, 0.0011422000000000, -0.0016054400000000 ] - [ -0.0004198700000000, -0.0021500500000000, 0.0015928900000000 ] - [ -0.0017996900000000, 0.0023329700000000, 0.0031509900000000 ] - [ -0.0019959800000000, 0.0020710800000000, 0.0021482900000000 ] - [ -0.0001574800000000, -0.0006401100000000, 0.0008416600000000 ] - [ 0.0017950700000000, -0.0004108900000000, 0.0012489900000000 ] - [ 0.0034286400000000, 0.0029729500000000, 0.0000832500000000 ] - [ 0.0073501000000000, -0.0084738600000000, 0.0047134900000000 ] - [ 0.0066486600000000, -0.0043760300000000, -0.0006321700000000 ] - [ 0.0032050700000000, 0.0055142300000000, 0.0032525600000000 ] - [ -0.0009778600000000, -0.0004302100000000, -0.0018503800000000 ] - [ 0.0014450600000000, 0.0005719400000000, 0.0018177200000000 ] - [ 0.0006442800000000, 0.0015623800000000, 0.0005093900000000 ] - [ -0.0001989200000000, -0.0009162400000000, -0.0027374300000000 ] - [ 0.0011883800000000, -0.0005542800000000, -0.0004941700000000 ] - [ -0.0022308500000000, -0.0009450100000000, 0.0003837900000000 ] - [ -0.0374066800000000, -0.0085850000000000, 0.0019807600000000 ] - [ 0.0038304400000000, 0.0001124100000000, 0.0001646300000000 ] - [ 0.0001274800000000, -0.0015737800000000, 0.0013101700000000 ] - [ -0.0005931000000000, 0.0004893800000000, -0.0015434300000000 ] - [ -0.0003747700000000, -0.0004222700000000, -0.0022645100000000 ] - [ 0.0021216200000000, 0.0012163300000000, 0.0035691900000000 ] - [ -0.0030311100000000, -0.0008519600000000, 0.0002459900000000 ] - [ 0.0011792200000000, -0.0002682600000000, -0.0001254500000000 ] - [ 0.0046334900000000, 0.0012365500000000, -0.0007442800000000 ] - [ -0.0544720300000000, 0.0199869700000000, -0.0439918900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014847900000000, -0.0004232400000000, -0.0011088100000000 ] - [ -0.0024581400000000, -0.0023908900000000, 0.0006632200000000 ] - [ -0.0004922200000000, 0.0023139200000000, 0.0002190700000000 ] - [ -0.0004529200000000, 0.0020295200000000, -0.0000376300000000 ] - [ 0.0018922800000000, 0.0017075000000000, -0.0012641600000000 ] - [ 0.0016394300000000, 0.0046316700000000, -0.0022766900000000 ] - [ -0.0258330800000000, 0.0387768000000000, 0.0016122400000000 ] - [ 0.0029390700000000, -0.0019881700000000, 0.0006413700000000 ] - [ -0.0010935200000000, -0.0002883100000000, -0.0020904100000000 ] - [ 0.0026227000000000, -0.0025277500000000, 0.0009879000000000 ] - [ 0.0005024700000000, 0.0021550100000000, 0.0006707200000000 ] - [ 0.0010013900000000, 0.0016441900000000, 0.0005125900000000 ] - [ -0.0015215300000000, 0.0059586100000000, -0.0014185600000000 ] - [ -0.0018854500000000, 0.0021108900000000, -0.0008502100000000 ] - [ -0.0036944500000000, -0.0022305500000000, -0.0007502400000000 ] - [ 0.0234885000000000, 0.0292524800000000, -0.0014464200000000 ] - [ -0.0021900000000000, -0.0000502600000000, 0.0028847200000000 ] - [ -0.0005576800000000, -0.0003678900000000, 0.0033704400000000 ] - [ 0.0029077900000000, 0.0022008300000000, 0.0033874500000000 ] - [ -0.0002114700000000, 0.0019198700000000, 0.0027846200000000 ] - [ 0.0009564400000000, 0.0019726600000000, -0.0007328800000000 ] - [ 0.0007258700000000, 0.0025004700000000, -0.0017704900000000 ] - [ -0.0032036800000000, 0.0069103900000000, -0.0267226600000000 ] - [ -0.0009427100000000, -0.0017305300000000, -0.0016964800000000 ] - [ 0.0311014900000000, -0.3550398000000000, 0.1801185200000000 ] - [ 0.0003022500000000, -0.0057680600000000, 0.0024297800000000 ] - [ 0.0001803000000000, 0.0022185100000000, 0.0015878400000000 ] - [ 0.0005787400000000, 0.0047809000000000, 0.0032278800000000 ] - [ 0.0006238700000000, 0.0001829200000000, 0.0012035100000000 ] - [ 0.0000156800000000, 0.0003155100000000, 0.0010458200000000 ] - [ 0.0005165700000000, 0.0019810900000000, 0.0004026700000000 ] - [ -0.0001871700000000, 0.0018496500000000, 0.0001011200000000 ] - [ 0.0041299600000000, -0.0018632200000000, 0.0009133200000000 ] - [ -0.0313656000000000, 0.0240958600000000, -0.0211129700000000 ] - [ 0.0014141100000000, 0.0075442500000000, 0.0007156300000000 ] - [ 0.0013944200000000, 0.0025761500000000, -0.0000761900000000 ] - [ 0.0030066200000000, -0.0054677500000000, -0.0007083900000000 ] - [ 0.0004440900000000, -0.0031382800000000, -0.0010540200000000 ] - [ 0.0010584900000000, 0.0018807800000000, 0.0000611700000000 ] - [ 0.0015116200000000, 0.0021232500000000, -0.0000791600000000 ] - [ 0.0121632700000000, 0.0239845800000000, -0.0284363400000000 ] - [ -0.0052526000000000, -0.0022588000000000, -0.0004397600000000 ] - [ -0.0013488900000000, 0.0021064700000000, 0.0002476100000000 ] - [ -0.0011511500000000, 0.0056080800000000, 0.0013810100000000 ] - [ -0.0031330600000000, -0.0049718500000000, -0.0013251700000000 ] - [ 0.0003517200000000, -0.0027783800000000, -0.0015215600000000 ] - [ -0.0015656300000000, 0.0027687000000000, -0.0000797100000000 ] - [ -0.0022228500000000, 0.0031626000000000, -0.0000582500000000 ] - [ 0.0006789600000000, -0.0031975200000000, -0.0018119100000000 ] - [ 0.0009967000000000, -0.0109975000000000, -0.0000946600000000 ] - [ -0.0004013800000000, 0.0037096600000000, -0.0014497100000000 ] - [ -0.0005052100000000, 0.0024586900000000, -0.0007270400000000 ] - [ 0.0026206700000000, -0.0016902400000000, -0.0039394400000000 ] - [ -0.0018436800000000, -0.0015936800000000, -0.0055279000000000 ] - [ -0.0012371300000000, 0.0041842200000000, -0.0040540700000000 ] - [ 0.0026275500000000, 0.0045804900000000, -0.0034169600000000 ] - [ -0.0038193600000000, 0.0121679000000000, 0.0138286100000000 ] - [ -0.0012205800000000, 0.0079776300000000, 0.0045051100000000 ] - [ 0.0007437600000000, -0.0068847600000000, 0.0016873600000000 ] - [ 0.0011768700000000, -0.0062481800000000, 0.0020034900000000 ] - [ -0.0160369000000000, -0.0117732200000000, 0.0000609000000000 ] - [ 0.0107650700000000, -0.0142249900000000, 0.0060859500000000 ] - [ 0.0175864700000000, -0.0100439700000000, -0.0010027700000000 ] - [ -0.0122491700000000, -0.0129155200000000, -0.0096511600000000 ] - [ -0.0029006200000000, 0.0001647700000000, -0.0019958200000000 ] - [ 0.0025991700000000, 0.0012422700000000, -0.0019484200000000 ] - [ -0.0018062500000000, -0.0030821100000000, -0.0046497300000000 ] - [ 0.0006545600000000, -0.0028185500000000, -0.0041943000000000 ] - [ 0.0004442400000000, -0.0052372900000000, 0.0001793300000000 ] - [ 0.0017297800000000, -0.0099429800000000, 0.0015829800000000 ] - [ 0.0064240500000000, 0.1873659800000000, -0.0533111000000000 ] - [ 0.0003557400000000, 0.0075529000000000, 0.0013389200000000 ] - [ 0.0005891300000000, -0.0064221000000000, 0.0024241500000000 ] - [ -0.0002159100000000, -0.0060719500000000, 0.0023595600000000 ] - [ -0.0025987500000000, 0.0056377500000000, 0.0024655600000000 ] - [ 0.0024964500000000, 0.0076410500000000, 0.0016804700000000 ] - [ -0.0018450200000000, -0.0096515200000000, -0.0022294200000000 ] - [ -0.0001716800000000, -0.0048440000000000, -0.0010837100000000 ] - [ -0.0008585200000000, 0.0091663100000000, -0.0011093500000000 ] - [ -0.0129691500000000, 0.0738100700000000, -0.0521179900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023280800000000, 0.0008160000000000, 0.0024669900000000 ] - [ 0.0015360300000000, 0.0027202400000000, 0.0007002800000000 ] - [ 0.0013558900000000, -0.0019022400000000, -0.0015928100000000 ] - [ 0.0013199800000000, -0.0016216900000000, -0.0013348700000000 ] - [ -0.0010113700000000, -0.0020878900000000, -0.0001158900000000 ] - [ -0.0007535800000000, -0.0049849900000000, 0.0008865800000000 ] - [ 0.0244017800000000, -0.0381707300000000, -0.0001277300000000 ] - [ -0.0037797100000000, 0.0015773400000000, 0.0007376500000000 ] - [ 0.0018114300000000, -0.0000939900000000, 0.0026052800000000 ] - [ -0.0018294700000000, 0.0020978200000000, -0.0004464400000000 ] - [ -0.0012324900000000, -0.0025232200000000, -0.0012050400000000 ] - [ -0.0017340800000000, -0.0020131400000000, -0.0010490400000000 ] - [ 0.0007732500000000, -0.0055445200000000, 0.0008726500000000 ] - [ 0.0011316300000000, -0.0017112300000000, 0.0003076800000000 ] - [ 0.0043882900000000, 0.0025858000000000, 0.0012757900000000 ] - [ -0.0221943000000000, -0.0283087900000000, 0.0018534000000000 ] - [ 0.0002837600000000, -0.0007382300000000, -0.0028516100000000 ] - [ -0.0013386500000000, -0.0004323700000000, -0.0033296900000000 ] - [ -0.0010080800000000, -0.0029743000000000, -0.0033628700000000 ] - [ 0.0020968600000000, -0.0026899500000000, -0.0027590000000000 ] - [ 0.0009372200000000, -0.0011742300000000, 0.0007349700000000 ] - [ 0.0011675500000000, -0.0016985800000000, 0.0017679800000000 ] - [ 0.0011974000000000, -0.0059099100000000, 0.0260694800000000 ] - [ -0.0009502800000000, 0.0024960900000000, 0.0016561800000000 ] - [ -0.0321401800000000, 0.3405893200000000, -0.1768217900000000 ] - [ -0.0002116200000000, 0.0041116800000000, -0.0025564400000000 ] - [ -0.0002706800000000, -0.0038173700000000, -0.0014352100000000 ] - [ -0.0006622400000000, -0.0063613500000000, -0.0030616400000000 ] - [ -0.0007236600000000, 0.0014496300000000, -0.0010705400000000 ] - [ -0.0001024800000000, 0.0013110800000000, -0.0009044700000000 ] - [ -0.0004178600000000, -0.0003596900000000, -0.0005424400000000 ] - [ 0.0002700300000000, -0.0002355700000000, -0.0002488200000000 ] - [ -0.0040175800000000, 0.0031123400000000, 0.0000448500000000 ] - [ 0.0317082600000000, -0.0227443100000000, 0.0222352700000000 ] - [ -0.0014893500000000, -0.0062218000000000, -0.0016571000000000 ] - [ -0.0014726500000000, -0.0013062500000000, -0.0008775000000000 ] - [ -0.0030646700000000, 0.0041742300000000, -0.0002444100000000 ] - [ -0.0005647700000000, 0.0019001000000000, 0.0000409000000000 ] - [ -0.0009653900000000, -0.0031200400000000, 0.0008909000000000 ] - [ -0.0014138600000000, -0.0033621200000000, 0.0010325100000000 ] - [ -0.0130281200000000, -0.0241616200000000, 0.0290397600000000 ] - [ 0.0045031200000000, 0.0022569000000000, 0.0005988200000000 ] - [ 0.0020708900000000, -0.0020812800000000, -0.0004032200000000 ] - [ 0.0018769000000000, -0.0055618200000000, -0.0015296600000000 ] - [ 0.0038226200000000, 0.0049180200000000, 0.0011528200000000 ] - [ 0.0004272000000000, 0.0027772400000000, 0.0013333900000000 ] - [ 0.0008217300000000, -0.0027594500000000, 0.0002357400000000 ] - [ 0.0014708000000000, -0.0031475900000000, 0.0002139300000000 ] - [ 0.0002767700000000, 0.0037706600000000, 0.0018924600000000 ] - [ -0.0000760400000000, 0.0114584700000000, -0.0003509700000000 ] - [ -0.0005530700000000, -0.0030877100000000, 0.0013466500000000 ] - [ -0.0004501500000000, -0.0018473700000000, 0.0006311800000000 ] - [ -0.0035645600000000, 0.0010941800000000, 0.0038391400000000 ] - [ 0.0008684900000000, 0.0009997500000000, 0.0054211400000000 ] - [ 0.0021778500000000, -0.0047403100000000, 0.0040982100000000 ] - [ -0.0016516700000000, -0.0051387200000000, 0.0034753500000000 ] - [ 0.0021681900000000, -0.0123268700000000, -0.0155520600000000 ] - [ -0.0005071900000000, -0.0081020900000000, -0.0061447500000000 ] - [ 0.0008863400000000, 0.0065686600000000, 0.0001998100000000 ] - [ 0.0004571200000000, 0.0059352700000000, -0.0001174700000000 ] - [ 0.0175984300000000, 0.0119822500000000, 0.0018167200000000 ] - [ -0.0090398700000000, 0.0143896600000000, -0.0041710500000000 ] - [ -0.0190546700000000, 0.0102182900000000, -0.0008804600000000 ] - [ 0.0105300500000000, 0.0130785300000000, 0.0076971800000000 ] - [ 0.0025120000000000, 0.0002875500000000, 0.0027529900000000 ] - [ -0.0028726800000000, -0.0007542000000000, 0.0027009800000000 ] - [ 0.0021331700000000, 0.0034845100000000, 0.0038567900000000 ] - [ -0.0003314600000000, 0.0032291500000000, 0.0033859000000000 ] - [ -0.0001092100000000, 0.0047630400000000, -0.0009606700000000 ] - [ -0.0013960500000000, 0.0094403000000000, -0.0023568400000000 ] - [ -0.0063934600000000, -0.1756926900000000, 0.0484632200000000 ] - [ -0.0006756500000000, -0.0079247900000000, -0.0005297500000000 ] - [ -0.0007960800000000, 0.0058665700000000, -0.0022529800000000 ] - [ -0.0000071600000000, 0.0055242400000000, -0.0022005100000000 ] - [ 0.0027783400000000, -0.0061480100000000, -0.0025862000000000 ] - [ -0.0022026000000000, -0.0081368400000000, -0.0018085800000000 ] - [ 0.0020468700000000, 0.0100898400000000, 0.0020713900000000 ] - [ 0.0003913400000000, 0.0053176100000000, 0.0009359500000000 ] - [ 0.0006326100000000, -0.0086031000000000, 0.0012415700000000 ] - [ 0.0135566000000000, -0.0740693800000000, 0.0548601300000000 ]- atom: 25 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.0036736700000000, -0.0009523000000000, 0.0032644500000000 ] - [ 0.0029541600000000, 0.0039098300000000, 0.0016512100000000 ] - [ 0.0009227700000000, -0.0004252800000000, -0.0012306900000000 ] - [ 0.0002859700000000, -0.0000647600000000, -0.0006685800000000 ] - [ -0.0005074600000000, -0.0011380500000000, -0.0003633600000000 ] - [ 0.0010503600000000, -0.0016119400000000, -0.0004044300000000 ] - [ -0.0000679700000000, 0.0071966800000000, -0.0067439000000000 ] - [ -0.0029909900000000, 0.0007297900000000, 0.0009188900000000 ] - [ 0.0030906900000000, -0.0013031300000000, 0.0032425700000000 ] - [ -0.0026946600000000, 0.0020446400000000, 0.0008660300000000 ] - [ -0.0006552000000000, -0.0004693300000000, -0.0005348300000000 ] - [ -0.0008414200000000, -0.0006996100000000, -0.0007052900000000 ] - [ 0.0003699500000000, -0.0040552800000000, 0.0006038800000000 ] - [ 0.0001494500000000, -0.0004543100000000, -0.0000916900000000 ] - [ 0.0008917400000000, 0.0007688600000000, 0.0004210400000000 ] - [ -0.0152703800000000, -0.0265806500000000, -0.0059926300000000 ] - [ -0.0011924700000000, -0.0005144100000000, 0.0000946700000000 ] - [ -0.0003739200000000, -0.0000754400000000, -0.0026688200000000 ] - [ -0.0000379700000000, -0.0017412500000000, -0.0029781200000000 ] - [ 0.0013011300000000, -0.0010399500000000, -0.0012243000000000 ] - [ 0.0009207000000000, -0.0002127300000000, 0.0005775800000000 ] - [ 0.0011997800000000, -0.0005471200000000, 0.0010497900000000 ] - [ 0.0059040000000000, -0.0180296000000000, 0.0279354200000000 ] - [ -0.0014377200000000, 0.0013756700000000, 0.0016598300000000 ] - [ -0.0091288100000000, 0.1369183500000000, -0.2243343400000000 ] - [ -0.0005376100000000, 0.0012037300000000, -0.0008951800000000 ] - [ -0.0002509200000000, -0.0019966500000000, -0.0004988300000000 ] - [ 0.0001817100000000, -0.0031994600000000, -0.0014170100000000 ] - [ 0.0010075000000000, 0.0014381000000000, 0.0000863700000000 ] - [ -0.0009220000000000, 0.0016105500000000, 0.0004757200000000 ] - [ -0.0005395400000000, 0.0006470300000000, 0.0003446600000000 ] - [ 0.0005417400000000, 0.0005466500000000, -0.0005106400000000 ] - [ -0.0033683900000000, 0.0018212000000000, 0.0003674900000000 ] - [ 0.0048046900000000, 0.0003081100000000, -0.0039217500000000 ] - [ -0.0000097200000000, -0.0001365700000000, -0.0007437900000000 ] - [ -0.0007794000000000, -0.0002740900000000, -0.0007441400000000 ] - [ -0.0043965100000000, 0.0025491700000000, 0.0039666200000000 ] - [ 0.0024512000000000, -0.0018809700000000, 0.0031293900000000 ] - [ -0.0001369600000000, -0.0014905600000000, 0.0005840200000000 ] - [ -0.0007661700000000, -0.0018776100000000, 0.0009343500000000 ] - [ -0.0060638600000000, -0.0232099800000000, 0.0168367400000000 ] - [ 0.0004092400000000, 0.0006901100000000, 0.0003982600000000 ] - [ 0.0005904300000000, -0.0005868900000000, -0.0002315900000000 ] - [ 0.0024910500000000, -0.0038833800000000, -0.0013843200000000 ] - [ 0.0042023700000000, 0.0032670300000000, 0.0012866600000000 ] - [ -0.0032288800000000, -0.0005201600000000, 0.0025360600000000 ] - [ 0.0001590200000000, -0.0010991600000000, 0.0002844500000000 ] - [ 0.0002980700000000, -0.0010937500000000, 0.0001363200000000 ] - [ 0.0001538200000000, 0.0019041900000000, 0.0019981300000000 ] - [ 0.0096340800000000, 0.0054942700000000, 0.0342939800000000 ] - [ -0.0001277400000000, -0.0008435000000000, 0.0000752900000000 ] - [ -0.0005803300000000, -0.0004398500000000, 0.0001506600000000 ] - [ -0.0032427300000000, 0.0012063800000000, 0.0036586100000000 ] - [ 0.0008177600000000, 0.0001398400000000, 0.0010020000000000 ] - [ 0.0009861800000000, -0.0013167900000000, -0.0001364900000000 ] - [ -0.0008854900000000, -0.0031497700000000, 0.0023153100000000 ] - [ 0.0015734600000000, -0.0065281400000000, -0.0172436600000000 ] - [ 0.0048309000000000, -0.0080191100000000, -0.0158392600000000 ] - [ 0.0004256100000000, 0.0019108900000000, 0.0005446400000000 ] - [ 0.0011071400000000, 0.0021278500000000, 0.0001819600000000 ] - [ 0.0141895000000000, 0.0087041600000000, 0.0020638400000000 ] - [ -0.0025374700000000, 0.0034336400000000, -0.0001675400000000 ] - [ -0.0017549900000000, 0.0015266600000000, -0.0004093300000000 ] - [ 0.0065836500000000, 0.0090139700000000, 0.0053065300000000 ] - [ 0.0043184900000000, 0.0003579100000000, -0.0011547800000000 ] - [ -0.0057891500000000, -0.0011491800000000, 0.0022393600000000 ] - [ 0.0004723600000000, 0.0001813900000000, 0.0024307000000000 ] - [ 0.0008957000000000, -0.0003227600000000, 0.0010157200000000 ] - [ 0.0004578600000000, 0.0017675700000000, -0.0009640000000000 ] - [ -0.0023466200000000, 0.0045479200000000, -0.0013146700000000 ] - [ -0.0170030200000000, -0.0357354100000000, 0.0491751300000000 ] - [ 0.0012387200000000, -0.0033271300000000, -0.0010407900000000 ] - [ -0.0008374800000000, 0.0019493000000000, -0.0006677100000000 ] - [ 0.0000367900000000, 0.0025630900000000, -0.0018660200000000 ] - [ 0.0075462500000000, -0.0037199300000000, -0.0057377000000000 ] - [ -0.0065598600000000, -0.0019243800000000, -0.0017390800000000 ] - [ -0.0013302900000000, 0.0037348100000000, 0.0018274500000000 ] - [ 0.0007889700000000, 0.0021479400000000, 0.0003361300000000 ] - [ 0.0021952100000000, -0.0038956100000000, -0.0003438700000000 ] - [ 0.0084375800000000, -0.0482013700000000, 0.1246452200000000 ]- atom: 25 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ 0.0027941900000000, 0.0013527200000000, -0.0018838800000000 ] - [ -0.0038078300000000, -0.0034861000000000, -0.0002617700000000 ] - [ -0.0000437800000000, 0.0008119000000000, -0.0001525400000000 ] - [ 0.0005916000000000, 0.0004511400000000, -0.0007098000000000 ] - [ 0.0013750700000000, 0.0007358700000000, -0.0010136800000000 ] - [ -0.0001686800000000, 0.0012127500000000, -0.0009744100000000 ] - [ -0.0006700300000000, -0.0077953300000000, 0.0080933300000000 ] - [ 0.0021123200000000, -0.0011189300000000, 0.0004589200000000 ] - [ -0.0023393300000000, 0.0009229000000000, -0.0026991600000000 ] - [ 0.0034178500000000, -0.0024085900000000, -0.0003316600000000 ] - [ -0.0000916500000000, 0.0000772700000000, -0.0000059600000000 ] - [ 0.0000930200000000, 0.0003087500000000, 0.0001615400000000 ] - [ -0.0011060100000000, 0.0044066600000000, -0.0011368900000000 ] - [ -0.0008908900000000, 0.0008342800000000, -0.0004473500000000 ] - [ -0.0001200900000000, -0.0003723000000000, 0.0001256500000000 ] - [ 0.0160815300000000, 0.0271363700000000, 0.0066273600000000 ] - [ -0.0006951300000000, -0.0002705000000000, -0.0001328100000000 ] - [ -0.0015190800000000, -0.0007050100000000, 0.0026481200000000 ] - [ 0.0019251200000000, 0.0009447300000000, 0.0029663300000000 ] - [ 0.0005940200000000, 0.0002503300000000, 0.0012346600000000 ] - [ 0.0009725600000000, 0.0009934200000000, -0.0005651400000000 ] - [ 0.0006964000000000, 0.0013265500000000, -0.0010363400000000 ] - [ -0.0079991400000000, 0.0191085900000000, -0.0282862100000000 ] - [ -0.0004538300000000, -0.0005796600000000, -0.0016560200000000 ] - [ 0.0069707900000000, -0.1367633000000000, 0.2198569000000000 ] - [ 0.0006270600000000, -0.0028097100000000, 0.0007447100000000 ] - [ 0.0001597600000000, 0.0003654200000000, 0.0006365000000000 ] - [ -0.0002740700000000, 0.0015591300000000, 0.0015473000000000 ] - [ -0.0010952800000000, 0.0001812800000000, 0.0000563200000000 ] - [ 0.0008327800000000, 0.0000000200000000, -0.0003270300000000 ] - [ 0.0006261700000000, 0.0009757100000000, -0.0004885600000000 ] - [ -0.0004487800000000, 0.0010795000000000, 0.0003744500000000 ] - [ 0.0034366600000000, -0.0005573900000000, 0.0005852500000000 ] - [ -0.0047143000000000, 0.0010184800000000, 0.0047871500000000 ] - [ -0.0000898200000000, 0.0013493900000000, -0.0002205000000000 ] - [ 0.0006869400000000, 0.0015275800000000, -0.0002151800000000 ] - [ 0.0043058400000000, -0.0037990000000000, -0.0049688900000000 ] - [ -0.0025306000000000, 0.0006108800000000, -0.0040626700000000 ] - [ 0.0002234100000000, 0.0002252200000000, 0.0003753800000000 ] - [ 0.0008521900000000, 0.0006129500000000, 0.0000246100000000 ] - [ 0.0051857800000000, 0.0226733800000000, -0.0162941100000000 ] - [ -0.0011508100000000, -0.0006828900000000, -0.0002389600000000 ] - [ 0.0001592000000000, 0.0005859500000000, 0.0000701200000000 ] - [ -0.0017592300000000, 0.0038815200000000, 0.0012208600000000 ] - [ -0.0034516800000000, -0.0032666100000000, -0.0014404600000000 ] - [ 0.0039597100000000, 0.0005142300000000, -0.0026831300000000 ] - [ -0.0008963500000000, 0.0010845100000000, -0.0001241800000000 ] - [ -0.0010300800000000, 0.0010741100000000, 0.0000237000000000 ] - [ 0.0007976000000000, -0.0012993400000000, -0.0019060300000000 ] - [ -0.0083490800000000, -0.0047727100000000, -0.0335962800000000 ] - [ -0.0008298600000000, 0.0014278500000000, -0.0001606900000000 ] - [ -0.0003737500000000, 0.0010297500000000, -0.0002410300000000 ] - [ 0.0022750100000000, -0.0018058300000000, -0.0037371600000000 ] - [ -0.0017686000000000, -0.0007390500000000, -0.0011023100000000 ] - [ -0.0000205900000000, 0.0006948100000000, 0.0002566700000000 ] - [ 0.0018328400000000, 0.0025368700000000, -0.0022144900000000 ] - [ -0.0031922500000000, 0.0062199100000000, 0.0153274000000000 ] - [ -0.0064323000000000, 0.0077064100000000, 0.0138774000000000 ] - [ 0.0012059300000000, -0.0021601000000000, 0.0013278100000000 ] - [ 0.0005208600000000, -0.0023781300000000, 0.0016923500000000 ] - [ -0.0124698700000000, -0.0083694000000000, -0.0001728800000000 ] - [ 0.0041739100000000, -0.0031694100000000, 0.0020478400000000 ] - [ -0.0000052000000000, -0.0011950400000000, -0.0014691000000000 ] - [ -0.0081716800000000, -0.0087026600000000, -0.0071408000000000 ] - [ -0.0046266800000000, 0.0000683500000000, 0.0019644000000000 ] - [ 0.0054330300000000, 0.0015664100000000, -0.0014447300000000 ] - [ -0.0001383900000000, 0.0002641900000000, -0.0031988100000000 ] - [ -0.0005646700000000, 0.0007784000000000, -0.0018063200000000 ] - [ -0.0001234400000000, -0.0021909700000000, 0.0001751500000000 ] - [ 0.0026617800000000, -0.0049524500000000, 0.0005275900000000 ] - [ 0.0163929500000000, 0.0363154800000000, -0.0484520400000000 ] - [ -0.0015860000000000, 0.0028595000000000, 0.0018157900000000 ] - [ 0.0006132200000000, -0.0024380300000000, 0.0007847500000000 ] - [ -0.0002563900000000, -0.0030601400000000, 0.0019916200000000 ] - [ -0.0073219500000000, 0.0032125100000000, 0.0055806900000000 ] - [ 0.0067569100000000, 0.0014219600000000, 0.0015880500000000 ] - [ 0.0015723600000000, -0.0031815600000000, -0.0019626900000000 ] - [ -0.0005732000000000, -0.0016197300000000, -0.0004706000000000 ] - [ -0.0023980900000000, 0.0043905600000000, 0.0004875200000000 ] - [ -0.0063679900000000, 0.0459634100000000, -0.1206309200000000 ]- atom: 33 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.0020109600000000, -0.0011625800000000, -0.0003315100000000 ] - [ 0.0000415100000000, 0.0005130300000000, 0.0013157100000000 ] - [ 0.0016187200000000, -0.0013960900000000, -0.0044173300000000 ] - [ 0.0001690000000000, 0.0001519400000000, 0.0002678800000000 ] - [ -0.0073115600000000, -0.0016139500000000, 0.0007589400000000 ] - [ 0.0028891300000000, 0.0000131900000000, -0.0008073100000000 ] - [ -0.0013683700000000, 0.0008779300000000, 0.0004521500000000 ] - [ 0.0030034800000000, -0.0061728200000000, 0.0003893000000000 ] - [ 0.0028445000000000, -0.0023943700000000, -0.0006970500000000 ] - [ -0.0000743600000000, 0.0003234700000000, 0.0009835400000000 ] - [ 0.0010561500000000, -0.0000914600000000, 0.0003882100000000 ] - [ -0.0033980500000000, -0.0013965700000000, -0.0020674500000000 ] - [ 0.0024207700000000, -0.0032308600000000, 0.0012720000000000 ] - [ -0.0020970900000000, 0.0037030900000000, -0.0011225100000000 ] - [ -0.0037562000000000, -0.0037337500000000, 0.0003004200000000 ] - [ 0.0022449200000000, 0.0013305000000000, 0.0003249400000000 ] - [ -0.0018212400000000, -0.0011550700000000, 0.0000017800000000 ] - [ -0.0001005200000000, -0.0008324700000000, 0.0000275000000000 ] - [ 0.0089125600000000, -0.0201148700000000, -0.0190940100000000 ] - [ 0.0030247300000000, 0.0014505800000000, 0.0036902300000000 ] - [ 0.0003629100000000, -0.0002575000000000, -0.0000192300000000 ] - [ 0.0015533500000000, -0.0001189500000000, 0.0005747900000000 ] - [ -0.0011630000000000, 0.0009730700000000, -0.0017787500000000 ] - [ -0.0006843000000000, -0.0008100700000000, 0.0058453300000000 ] - [ 0.0023078900000000, 0.0032672400000000, -0.0026850200000000 ] - [ 0.0188575800000000, -0.0320530100000000, 0.0166576900000000 ] - [ -0.0009837300000000, -0.0022374400000000, -0.0004453600000000 ] - [ 0.0003672200000000, -0.0022398800000000, -0.0005343700000000 ] - [ -0.0009902300000000, 0.0038415300000000, -0.0055460600000000 ] - [ 0.0008189700000000, 0.0013146900000000, 0.0034709500000000 ] - [ -0.0002349900000000, -0.0001994400000000, -0.0004488700000000 ] - [ 0.0002540900000000, -0.0006496000000000, -0.0008883200000000 ] - [ -0.3929415400000000, 0.1935541500000000, 0.0399122900000000 ] - [ 0.0111945500000000, -0.0003995800000000, -0.0002037500000000 ] - [ -0.0007531200000000, -0.0003189100000000, -0.0004651600000000 ] - [ -0.0004113600000000, -0.0009047900000000, -0.0006037700000000 ] - [ -0.0031263200000000, 0.0026453300000000, -0.0016394400000000 ] - [ 0.0002167300000000, 0.0001522200000000, -0.0000230000000000 ] - [ -0.0004638500000000, -0.0018506400000000, 0.0002494900000000 ] - [ -0.0004073300000000, -0.0014424700000000, 0.0006227000000000 ] - [ 0.0431168600000000, 0.0037621400000000, 0.0075035500000000 ] - [ 0.0417822600000000, 0.0102641800000000, -0.0119546600000000 ] - [ 0.0005803200000000, -0.0013089900000000, -0.0002388200000000 ] - [ 0.0012920200000000, -0.0010804100000000, -0.0001459900000000 ] - [ 0.0027020700000000, 0.0015084100000000, -0.0030362100000000 ] - [ 0.0015376100000000, 0.0026669800000000, 0.0019547600000000 ] - [ 0.0003213400000000, -0.0009862300000000, -0.0000435000000000 ] - [ -0.0000073600000000, -0.0011844000000000, -0.0000723700000000 ] - [ 0.0039531800000000, -0.0108789200000000, -0.0159772000000000 ] - [ 0.0028084200000000, 0.0038860300000000, 0.0021675800000000 ] - [ -0.0000006600000000, -0.0010937200000000, 0.0000954800000000 ] - [ -0.0007650100000000, -0.0005830500000000, 0.0005351800000000 ] - [ -0.0029670800000000, 0.0003779300000000, 0.0187499800000000 ] - [ 0.0032469100000000, 0.0002435000000000, -0.0043383400000000 ] - [ 0.0000403200000000, -0.0012922700000000, 0.0003719700000000 ] - [ 0.0009043600000000, -0.0014232400000000, 0.0007657700000000 ] - [ -0.0016079600000000, 0.0014481600000000, 0.0125903500000000 ] - [ -0.0017092800000000, -0.0040471900000000, -0.0075835900000000 ] - [ -0.0012935500000000, 0.0023963900000000, 0.0015974000000000 ] - [ 0.0021756800000000, 0.0023540400000000, 0.0004434700000000 ] - [ 0.0254990500000000, -0.0111176500000000, 0.0073084200000000 ] - [ -0.0188213300000000, -0.0143831700000000, -0.0015729200000000 ] - [ 0.0023911000000000, 0.0028907100000000, -0.0003830500000000 ] - [ -0.0050641800000000, 0.0030308000000000, -0.0015588600000000 ] - [ 0.0020732400000000, 0.0018569400000000, 0.0002948600000000 ] - [ -0.0028410100000000, 0.0019500300000000, 0.0006374500000000 ] - [ 0.0069004800000000, 0.0001835300000000, 0.0162162400000000 ] - [ -0.0020315500000000, 0.0002783500000000, -0.0047680800000000 ] - [ 0.0061532900000000, -0.0000877900000000, -0.0009431000000000 ] - [ -0.0044353000000000, 0.0025719400000000, -0.0010871300000000 ] - [ -0.0011901900000000, -0.0054270300000000, 0.0029043400000000 ] - [ 0.0042291400000000, 0.0207359400000000, -0.0089412500000000 ] - [ 0.0001635800000000, 0.0021454300000000, 0.0007682000000000 ] - [ -0.0000934700000000, 0.0018864400000000, -0.0000894700000000 ] - [ 0.0020832500000000, -0.0103055100000000, -0.0087371100000000 ] - [ -0.0009363100000000, -0.0028735800000000, 0.0068743200000000 ] - [ -0.0000913900000000, 0.0029435100000000, 0.0000362700000000 ] - [ 0.0007665800000000, 0.0026326700000000, 0.0002396100000000 ] - [ 0.2680774200000000, -0.1170108400000000, -0.0511266400000000 ] - [ -0.0190034900000000, -0.0142648900000000, 0.0068555100000000 ]- atom: 33 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.0011372800000000, 0.0015575000000000, 0.0017127000000000 ] - [ -0.0009088400000000, -0.0001132500000000, 0.0000595800000000 ] - [ -0.0007405800000000, 0.0017894500000000, 0.0030284400000000 ] - [ 0.0007080700000000, 0.0002429100000000, -0.0016553500000000 ] - [ 0.0083120400000000, 0.0014884500000000, -0.0022476900000000 ] - [ -0.0020275100000000, -0.0004227300000000, -0.0005670200000000 ] - [ 0.0004897900000000, -0.0012681900000000, 0.0009284500000000 ] - [ -0.0039069500000000, 0.0058416900000000, 0.0010026400000000 ] - [ -0.0020898300000000, 0.0020056400000000, 0.0012336300000000 ] - [ 0.0008103900000000, -0.0007055900000000, -0.0004484100000000 ] - [ -0.0018063800000000, -0.0002943400000000, -0.0009390400000000 ] - [ 0.0026537200000000, 0.0010230200000000, 0.0015398400000000 ] - [ -0.0031918200000000, 0.0036226800000000, -0.0018107500000000 ] - [ 0.0013982100000000, -0.0033620100000000, 0.0005896700000000 ] - [ 0.0045423700000000, 0.0041506100000000, 0.0002435500000000 ] - [ -0.0015079900000000, -0.0009426300000000, 0.0002123900000000 ] - [ -0.0000735600000000, 0.0003711400000000, -0.0000109700000000 ] - [ -0.0017941300000000, 0.0000511300000000, -0.0000333700000000 ] - [ -0.0069554300000000, 0.0190918500000000, 0.0189573800000000 ] - [ -0.0011386500000000, -0.0022596300000000, -0.0037242600000000 ] - [ 0.0015467600000000, 0.0010568000000000, -0.0000089400000000 ] - [ 0.0003373600000000, 0.0009053700000000, -0.0005611200000000 ] - [ -0.0007310200000000, -0.0001875300000000, 0.0017643200000000 ] - [ -0.0012117500000000, 0.0016144900000000, -0.0059171000000000 ] - [ -0.0022210500000000, -0.0048762000000000, 0.0025333400000000 ] - [ -0.0191459200000000, 0.0310472100000000, -0.0171859600000000 ] - [ 0.0009226400000000, 0.0006618500000000, 0.0006021300000000 ] - [ -0.0004602600000000, 0.0006220300000000, 0.0006790600000000 ] - [ 0.0008976100000000, -0.0022313700000000, 0.0057220800000000 ] - [ -0.0009135400000000, 0.0003041100000000, -0.0033747400000000 ] - [ 0.0003239600000000, 0.0018264200000000, 0.0003069500000000 ] - [ -0.0001616000000000, 0.0022776400000000, 0.0007497300000000 ] - [ 0.4078917700000000, -0.2000774100000000, -0.0440811500000000 ] - [ -0.0111232500000000, 0.0016697700000000, 0.0011322900000000 ] - [ 0.0006627700000000, 0.0015804600000000, -0.0004905500000000 ] - [ 0.0003323100000000, 0.0021803800000000, -0.0003480600000000 ] - [ 0.0030545200000000, -0.0039257700000000, 0.0006738600000000 ] - [ -0.0003055000000000, -0.0014112500000000, -0.0009284500000000 ] - [ 0.0005594100000000, 0.0006017400000000, 0.0007048600000000 ] - [ 0.0004991200000000, 0.0001908300000000, 0.0003347000000000 ] - [ -0.0431749100000000, -0.0038571500000000, -0.0071230900000000 ] - [ -0.0435743500000000, -0.0104218700000000, 0.0125190500000000 ] - [ 0.0001551800000000, 0.0013295200000000, 0.0000841400000000 ] - [ -0.0005561000000000, 0.0010947000000000, -0.0000123300000000 ] - [ -0.0019524600000000, -0.0015054400000000, 0.0028868600000000 ] - [ -0.0008248200000000, -0.0027087200000000, -0.0021186200000000 ] - [ -0.0010665300000000, 0.0009868600000000, 0.0002003500000000 ] - [ -0.0007351600000000, 0.0011840800000000, 0.0002324800000000 ] - [ -0.0028777600000000, 0.0115229200000000, 0.0161072100000000 ] - [ -0.0018626500000000, -0.0032715600000000, -0.0020650700000000 ] - [ -0.0009550700000000, 0.0016942400000000, -0.0001891800000000 ] - [ -0.0001859800000000, 0.0011855900000000, -0.0006231300000000 ] - [ 0.0018898900000000, -0.0009885400000000, -0.0190561400000000 ] - [ -0.0042331700000000, -0.0008429900000000, 0.0043057200000000 ] - [ 0.0009167900000000, 0.0007037900000000, -0.0002844800000000 ] - [ 0.0000483300000000, 0.0008378100000000, -0.0006807700000000 ] - [ -0.0000340800000000, -0.0017115200000000, -0.0144552500000000 ] - [ 0.0000942900000000, 0.0037918300000000, 0.0057234700000000 ] - [ 0.0029226500000000, -0.0026762500000000, 0.0003007300000000 ] - [ -0.0005510600000000, -0.0026369800000000, 0.0014250400000000 ] - [ -0.0228399400000000, 0.0093653300000000, -0.0045868900000000 ] - [ 0.0205823400000000, 0.0148264600000000, 0.0034722300000000 ] - [ -0.0040288300000000, -0.0026404500000000, -0.0015033300000000 ] - [ 0.0034534300000000, -0.0027913300000000, -0.0003193500000000 ] - [ -0.0023974000000000, -0.0014221800000000, 0.0004930100000000 ] - [ 0.0024976500000000, -0.0015217200000000, 0.0001411400000000 ] - [ -0.0065351700000000, 0.0002334300000000, -0.0170385600000000 ] - [ 0.0023709100000000, 0.0001504300000000, 0.0040320400000000 ] - [ -0.0059784300000000, -0.0003949500000000, 0.0002361000000000 ] - [ 0.0047945500000000, -0.0030074500000000, 0.0002937100000000 ] - [ 0.0008731000000000, 0.0049823900000000, -0.0021125700000000 ] - [ -0.0046257400000000, -0.0213482500000000, 0.0097804000000000 ] - [ -0.0003849500000000, -0.0026696100000000, -0.0006292300000000 ] - [ -0.0001231300000000, -0.0024143600000000, 0.0002324800000000 ] - [ -0.0018575900000000, 0.0099307900000000, 0.0086989000000000 ] - [ 0.0011498700000000, 0.0023539200000000, -0.0070824800000000 ] - [ 0.0003153800000000, -0.0024410300000000, -0.0001756800000000 ] - [ -0.0005609300000000, -0.0021508200000000, -0.0004050500000000 ] - [ -0.2836544800000000, 0.1268102800000000, 0.0556114600000000 ] - [ 0.0188418100000000, 0.0147415400000000, -0.0066940000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015480900000000, 0.0023854800000000, 0.0018364800000000 ] - [ -0.0006389100000000, 0.0003046000000000, 0.0001606400000000 ] - [ -0.0001496900000000, 0.0013278000000000, 0.0022625800000000 ] - [ 0.0007077600000000, 0.0002330900000000, -0.0008977400000000 ] - [ 0.0143595800000000, 0.0334534200000000, -0.0155328700000000 ] - [ -0.0003966100000000, -0.0006201600000000, -0.0005863600000000 ] - [ 0.0004855200000000, 0.0002505000000000, 0.0005164700000000 ] - [ -0.0039955700000000, 0.0058610200000000, 0.0012182900000000 ] - [ -0.0036083100000000, 0.0034567000000000, 0.0013887900000000 ] - [ 0.0006769600000000, 0.0000466800000000, -0.0001066500000000 ] - [ -0.0013652100000000, -0.0004378600000000, -0.0006838900000000 ] - [ 0.0016128600000000, 0.0009688700000000, 0.0020056300000000 ] - [ -0.0040795100000000, 0.0022287100000000, -0.0017925100000000 ] - [ 0.0033138500000000, -0.0009040700000000, -0.0004200500000000 ] - [ 0.0029848200000000, 0.0049842300000000, -0.0002117900000000 ] - [ -0.0002694800000000, 0.0003034600000000, 0.0002885900000000 ] - [ -0.0001530400000000, 0.0015169500000000, 0.0000039300000000 ] - [ -0.0016891400000000, 0.0006640400000000, -0.0003133100000000 ] - [ -0.0117998800000000, 0.0157668200000000, 0.0180236200000000 ] - [ 0.0008032000000000, -0.0013520900000000, -0.0003465400000000 ] - [ 0.0018392000000000, 0.0024027700000000, -0.0047094400000000 ] - [ 0.0005266200000000, 0.0011702400000000, -0.0004289700000000 ] - [ -0.0007409300000000, -0.0000007200000000, 0.0007256400000000 ] - [ -0.0011690500000000, 0.0015634900000000, -0.0055218100000000 ] - [ 0.0005826400000000, -0.0032990900000000, 0.0016361100000000 ] - [ -0.0271843800000000, 0.0226050600000000, -0.0167703800000000 ] - [ 0.0027946100000000, 0.0060395000000000, 0.0026392100000000 ] - [ -0.0002668700000000, 0.0011298300000000, 0.0009870500000000 ] - [ 0.0006660400000000, -0.0040024100000000, 0.0041940500000000 ] - [ -0.0004207900000000, -0.0017093300000000, -0.0016050900000000 ] - [ 0.0004067400000000, 0.0033095100000000, 0.0011459700000000 ] - [ -0.0001525200000000, 0.0035515700000000, 0.0012622300000000 ] - [ 0.1974011900000000, -0.2267139000000000, 0.0032149200000000 ] - [ -0.0009614500000000, -0.0010902200000000, 0.0011743500000000 ] - [ 0.0009056100000000, 0.0025983300000000, -0.0004803300000000 ] - [ 0.0014924700000000, 0.0036797500000000, 0.0000981200000000 ] - [ 0.0032438100000000, -0.0049202900000000, 0.0012287700000000 ] - [ 0.0007395700000000, -0.0028030300000000, -0.0010850900000000 ] - [ 0.0012693900000000, 0.0016106500000000, 0.0003739600000000 ] - [ 0.0008615800000000, 0.0009304500000000, 0.0005813400000000 ] - [ -0.0104912500000000, -0.0071728800000000, -0.0010319300000000 ] - [ 0.0054499400000000, -0.0099002100000000, -0.0008857700000000 ] - [ -0.0009670800000000, 0.0031443500000000, 0.0005725800000000 ] - [ -0.0006582700000000, 0.0018996800000000, 0.0000591100000000 ] - [ -0.0037068200000000, -0.0039849100000000, 0.0023875100000000 ] - [ -0.0011182100000000, -0.0036777900000000, -0.0004056600000000 ] - [ -0.0016851900000000, 0.0020011700000000, 0.0000683300000000 ] - [ -0.0011730100000000, 0.0020226300000000, 0.0004279700000000 ] - [ -0.0211857000000000, 0.0180099800000000, 0.0308240100000000 ] - [ 0.0000117400000000, -0.0020214700000000, -0.0009629500000000 ] - [ -0.0009152000000000, 0.0021971400000000, -0.0005605000000000 ] - [ -0.0001274400000000, 0.0018945000000000, 0.0002675200000000 ] - [ -0.0032320200000000, -0.0066420500000000, -0.0183153500000000 ] - [ -0.0006205600000000, -0.0024002700000000, -0.0007227600000000 ] - [ 0.0008485000000000, 0.0017645700000000, -0.0008267500000000 ] - [ 0.0001742500000000, 0.0016279600000000, -0.0007229300000000 ] - [ 0.0016025000000000, -0.0015336000000000, -0.0184426100000000 ] - [ -0.0011867400000000, 0.0030819400000000, 0.0033819800000000 ] - [ 0.0023262200000000, -0.0041866100000000, 0.0029450200000000 ] - [ -0.0003643700000000, -0.0037856800000000, 0.0003409500000000 ] - [ -0.0109393700000000, 0.0478088300000000, -0.0115759400000000 ] - [ 0.0017582800000000, 0.0049576500000000, 0.0009166000000000 ] - [ -0.0030019500000000, -0.0066963900000000, -0.0007433900000000 ] - [ 0.0023546200000000, -0.0052833900000000, -0.0004905300000000 ] - [ -0.0025185100000000, -0.0045517100000000, -0.0006075400000000 ] - [ 0.0031245400000000, -0.0032411600000000, 0.0003873700000000 ] - [ -0.0048368900000000, 0.0034079700000000, -0.0165330900000000 ] - [ 0.0009371500000000, 0.0017729600000000, 0.0001569400000000 ] - [ -0.0130208300000000, -0.0083673300000000, 0.0086611200000000 ] - [ 0.0035651200000000, -0.0028322400000000, -0.0001002400000000 ] - [ -0.0010640600000000, 0.0014530000000000, -0.0002135000000000 ] - [ -0.0016659700000000, -0.0203568900000000, 0.0091823800000000 ] - [ -0.0007494000000000, -0.0047737800000000, -0.0006509000000000 ] - [ -0.0001098500000000, -0.0044300100000000, -0.0004113800000000 ] - [ -0.0015271200000000, 0.0141172900000000, 0.0043677700000000 ] - [ 0.0004054600000000, 0.0068609800000000, -0.0020396400000000 ] - [ 0.0001828200000000, -0.0038934500000000, -0.0002360400000000 ] - [ -0.0012667400000000, -0.0060623700000000, -0.0037507000000000 ] - [ -0.1180366400000000, 0.1124157500000000, 0.0226259500000000 ] - [ 0.0032472600000000, 0.0088655000000000, -0.0028169600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024209800000000, -0.0019934500000000, -0.0004573400000000 ] - [ -0.0002367700000000, 0.0000842000000000, 0.0012190700000000 ] - [ 0.0010229200000000, -0.0009327200000000, -0.0036552500000000 ] - [ 0.0001595400000000, 0.0001704100000000, -0.0004733000000000 ] - [ -0.0137342900000000, -0.0346437300000000, 0.0144349200000000 ] - [ 0.0012855600000000, 0.0002402300000000, -0.0007952900000000 ] - [ -0.0013558900000000, -0.0006481500000000, 0.0008589000000000 ] - [ 0.0031309100000000, -0.0062678700000000, 0.0001636400000000 ] - [ 0.0043497500000000, -0.0038386800000000, -0.0008508900000000 ] - [ 0.0000693600000000, -0.0004360700000000, 0.0006482700000000 ] - [ 0.0006387800000000, 0.0000644000000000, 0.0001526100000000 ] - [ -0.0023629000000000, -0.0013498900000000, -0.0025547800000000 ] - [ 0.0033615200000000, -0.0018512800000000, 0.0012641200000000 ] - [ -0.0041026000000000, 0.0013296900000000, -0.0001239700000000 ] - [ -0.0022553300000000, -0.0046074300000000, 0.0007471100000000 ] - [ 0.0010111800000000, 0.0000779400000000, 0.0002503500000000 ] - [ -0.0017417300000000, -0.0023068500000000, -0.0000116200000000 ] - [ -0.0002048600000000, -0.0014542200000000, 0.0003057300000000 ] - [ 0.0139668900000000, -0.0168081800000000, -0.0182446300000000 ] - [ 0.0011036300000000, 0.0005869500000000, 0.0003834600000000 ] - [ 0.0000413500000000, -0.0016226200000000, 0.0047716600000000 ] - [ 0.0013714400000000, -0.0003810000000000, 0.0004388900000000 ] - [ -0.0011542700000000, 0.0007847300000000, -0.0007364500000000 ] - [ -0.0007239700000000, -0.0007772200000000, 0.0055074500000000 ] - [ -0.0004857400000000, 0.0016740600000000, -0.0017765100000000 ] - [ 0.0268767500000000, -0.0242366400000000, 0.0164207200000000 ] - [ -0.0029207200000000, -0.0077244800000000, -0.0025153800000000 ] - [ 0.0001802300000000, -0.0027499200000000, -0.0008461300000000 ] - [ -0.0007647400000000, 0.0056405700000000, -0.0040622800000000 ] - [ 0.0003330100000000, 0.0033299600000000, 0.0017484200000000 ] - [ -0.0003159100000000, -0.0016924000000000, -0.0012876500000000 ] - [ 0.0002410400000000, -0.0019350900000000, -0.0014061800000000 ] - [ -0.1960792600000000, 0.2311075100000000, -0.0050680700000000 ] - [ 0.0011086900000000, 0.0023347100000000, -0.0002139600000000 ] - [ -0.0009932500000000, -0.0013436100000000, -0.0004773200000000 ] - [ -0.0015916700000000, -0.0024335500000000, -0.0010604500000000 ] - [ -0.0033278700000000, 0.0036558000000000, -0.0021846200000000 ] - [ -0.0008261000000000, 0.0015393100000000, 0.0001269400000000 ] - [ -0.0011855900000000, -0.0028719000000000, 0.0005844400000000 ] - [ -0.0007738300000000, -0.0021870000000000, 0.0003760800000000 ] - [ 0.0098058100000000, 0.0072414100000000, 0.0012095500000000 ] - [ -0.0058325100000000, 0.0100055000000000, 0.0009271100000000 ] - [ 0.0017087000000000, -0.0031434400000000, -0.0007360900000000 ] - [ 0.0013980900000000, -0.0018942100000000, -0.0002181700000000 ] - [ 0.0044303900000000, 0.0039577300000000, -0.0025512800000000 ] - [ 0.0018543500000000, 0.0036659300000000, 0.0002493800000000 ] - [ 0.0009505800000000, -0.0020112500000000, 0.0000926600000000 ] - [ 0.0004349200000000, -0.0020321100000000, -0.0002710400000000 ] - [ 0.0218015000000000, -0.0171704400000000, -0.0303203000000000 ] - [ 0.0009510000000000, 0.0026201400000000, 0.0010536200000000 ] - [ -0.0000372200000000, -0.0016018800000000, 0.0004696300000000 ] - [ -0.0008306900000000, -0.0012963100000000, -0.0003683500000000 ] - [ 0.0022552300000000, 0.0061073900000000, 0.0182268200000000 ] - [ -0.0003047400000000, 0.0018060100000000, 0.0005904500000000 ] - [ 0.0001061100000000, -0.0023644400000000, 0.0009185300000000 ] - [ 0.0007807400000000, -0.0022271500000000, 0.0008150500000000 ] - [ -0.0032300000000000, 0.0012813800000000, 0.0165721500000000 ] - [ -0.0004469000000000, -0.0033383300000000, -0.0052679800000000 ] - [ -0.0006999500000000, 0.0039158900000000, -0.0010839300000000 ] - [ 0.0020026900000000, 0.0035099800000000, 0.0015440100000000 ] - [ 0.0151458300000000, -0.0503400700000000, 0.0151379600000000 ] - [ -0.0002702300000000, -0.0048530600000000, 0.0009473500000000 ] - [ 0.0013692200000000, 0.0069769800000000, -0.0011319000000000 ] - [ -0.0039898900000000, 0.0055691900000000, -0.0013882700000000 ] - [ 0.0021845400000000, 0.0049984600000000, 0.0013890000000000 ] - [ -0.0034578600000000, 0.0036936800000000, 0.0003960200000000 ] - [ 0.0051917000000000, -0.0029997700000000, 0.0158040100000000 ] - [ -0.0006215100000000, -0.0013542400000000, -0.0009676700000000 ] - [ 0.0134804000000000, 0.0079264800000000, -0.0095098900000000 ] - [ -0.0032636800000000, 0.0023891700000000, -0.0006849400000000 ] - [ 0.0007320000000000, -0.0018806500000000, 0.0010011400000000 ] - [ 0.0013455400000000, 0.0199375200000000, -0.0084076600000000 ] - [ 0.0005334000000000, 0.0042702000000000, 0.0007928900000000 ] - [ -0.0001113100000000, 0.0039239000000000, 0.0005496900000000 ] - [ 0.0017475400000000, -0.0145913600000000, -0.0044870700000000 ] - [ -0.0001905000000000, -0.0073524600000000, 0.0019381500000000 ] - [ 0.0000319000000000, 0.0044095300000000, 0.0000968200000000 ] - [ 0.0014996100000000, 0.0065932200000000, 0.0036439100000000 ] - [ 0.1143681300000000, -0.1115197500000000, -0.0215468200000000 ] - [ -0.0035172300000000, -0.0083552600000000, 0.0029747300000000 ]- atom: 33 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ 0.0012432200000000, 0.0021263700000000, 0.0014716200000000 ] - [ -0.0012873100000000, -0.0002427300000000, 0.0007948200000000 ] - [ -0.0015238900000000, 0.0021534000000000, 0.0026167900000000 ] - [ 0.0015199200000000, -0.0005129300000000, -0.0009785400000000 ] - [ 0.0032368100000000, -0.0043540500000000, -0.0027043100000000 ] - [ -0.0007966300000000, -0.0004616000000000, -0.0005779400000000 ] - [ -0.0002775900000000, -0.0008338500000000, 0.0008564400000000 ] - [ -0.0003838300000000, -0.0001283200000000, 0.0001826900000000 ] - [ -0.0029413800000000, 0.0025090200000000, 0.0013092400000000 ] - [ 0.0009956400000000, -0.0001445100000000, 0.0000336900000000 ] - [ -0.0018023900000000, -0.0009217100000000, -0.0003772600000000 ] - [ 0.0022823100000000, 0.0021546400000000, 0.0018141400000000 ] - [ -0.0008667500000000, 0.0010229600000000, -0.0017944800000000 ] - [ 0.0002053300000000, -0.0019756700000000, 0.0002957400000000 ] - [ 0.0014450300000000, 0.0001121800000000, 0.0001610800000000 ] - [ -0.0003513500000000, -0.0003520600000000, 0.0004308500000000 ] - [ -0.0002946800000000, 0.0003364900000000, -0.0009278100000000 ] - [ -0.0014616000000000, -0.0000760600000000, -0.0005042800000000 ] - [ -0.0102538100000000, 0.0196692600000000, 0.0138636700000000 ] - [ 0.0001605000000000, -0.0018023700000000, -0.0019949900000000 ] - [ 0.0008351700000000, 0.0002786500000000, 0.0003900700000000 ] - [ 0.0009099900000000, 0.0005791000000000, 0.0002926100000000 ] - [ -0.0012228600000000, 0.0003978400000000, 0.0019323500000000 ] - [ -0.0006863400000000, 0.0005870200000000, -0.0001689700000000 ] - [ -0.0019023200000000, -0.0025311000000000, 0.0006924300000000 ] - [ 0.0061935300000000, -0.0032023600000000, -0.0036441700000000 ] - [ 0.0000947400000000, -0.0010703200000000, -0.0001310300000000 ] - [ -0.0001727400000000, -0.0004166800000000, 0.0001711400000000 ] - [ -0.0002294500000000, -0.0009642400000000, 0.0070084500000000 ] - [ 0.0004365000000000, 0.0000785200000000, 0.0024573900000000 ] - [ 0.0003415700000000, 0.0016923200000000, 0.0003206900000000 ] - [ -0.0003166700000000, 0.0020464300000000, 0.0006557400000000 ] - [ 0.2455686600000000, -0.0993131300000000, -0.1153108300000000 ] - [ -0.0062810200000000, 0.0017587800000000, 0.0005066100000000 ] - [ 0.0003310200000000, 0.0011209600000000, -0.0006454100000000 ] - [ 0.0000395000000000, 0.0009284400000000, -0.0006401100000000 ] - [ 0.0005641300000000, -0.0008673200000000, 0.0017808600000000 ] - [ 0.0002039600000000, -0.0015500400000000, 0.0005700600000000 ] - [ 0.0001148800000000, 0.0000953200000000, 0.0008251500000000 ] - [ 0.0004023800000000, -0.0002950000000000, 0.0005145100000000 ] - [ -0.0167351400000000, -0.0021601100000000, -0.0057729700000000 ] - [ -0.0310728400000000, -0.0076495700000000, 0.0006035100000000 ] - [ 0.0003840400000000, 0.0002087400000000, -0.0002886000000000 ] - [ -0.0001597100000000, 0.0005888400000000, -0.0001327000000000 ] - [ -0.0027883900000000, -0.0021188000000000, 0.0026859900000000 ] - [ 0.0024213300000000, 0.0012352000000000, -0.0004173500000000 ] - [ -0.0006582800000000, 0.0002879900000000, 0.0002797200000000 ] - [ -0.0006581500000000, 0.0010372800000000, 0.0004003600000000 ] - [ -0.0129534800000000, 0.0185594300000000, 0.0113263000000000 ] - [ -0.0004247600000000, -0.0012675000000000, -0.0010415400000000 ] - [ -0.0010219400000000, 0.0013502300000000, -0.0002379100000000 ] - [ -0.0001124600000000, 0.0008394100000000, -0.0005431200000000 ] - [ 0.0086705400000000, -0.0058082800000000, 0.0158632200000000 ] - [ -0.0024927500000000, -0.0002644300000000, 0.0038542300000000 ] - [ 0.0004948500000000, -0.0000448800000000, 0.0001966600000000 ] - [ 0.0004184800000000, -0.0000709400000000, 0.0001247100000000 ] - [ 0.0024746300000000, -0.0031972200000000, -0.0147953200000000 ] - [ -0.0023879300000000, 0.0008727900000000, 0.0001334900000000 ] - [ 0.0036284700000000, -0.0014752700000000, -0.0001868900000000 ] - [ -0.0017122900000000, -0.0023991200000000, 0.0003019300000000 ] - [ -0.0021590500000000, -0.0103314400000000, 0.0254139400000000 ] - [ 0.0128112200000000, 0.0098065900000000, 0.0015148900000000 ] - [ -0.0017031100000000, 0.0000022400000000, 0.0000089400000000 ] - [ 0.0000866600000000, -0.0005074400000000, -0.0004517000000000 ] - [ -0.0024222600000000, -0.0020129300000000, 0.0011583300000000 ] - [ 0.0030504600000000, -0.0011865600000000, 0.0005370900000000 ] - [ -0.0025331400000000, -0.0034463400000000, -0.0149254700000000 ] - [ 0.0007264700000000, 0.0026483200000000, 0.0000009300000000 ] - [ -0.0014573800000000, 0.0014441900000000, -0.0008381000000000 ] - [ 0.0017921500000000, -0.0010160300000000, -0.0002303800000000 ] - [ 0.0008942600000000, 0.0026157800000000, -0.0019411500000000 ] - [ -0.0018033000000000, -0.0011040100000000, 0.0014203300000000 ] - [ -0.0000919900000000, -0.0017685400000000, -0.0009994900000000 ] - [ -0.0003859200000000, -0.0011356100000000, -0.0004527600000000 ] - [ -0.0031651100000000, -0.0052481400000000, -0.0049882700000000 ] - [ 0.0013709100000000, 0.0031431900000000, -0.0085938300000000 ] - [ 0.0003650000000000, -0.0012393900000000, 0.0004611200000000 ] - [ -0.0000399600000000, -0.0003609400000000, 0.0006891400000000 ] - [ -0.1941721000000000, 0.0886118200000000, 0.0798256000000000 ] - [ 0.0094497500000000, 0.0049297900000000, -0.0015116000000000 ]- atom: 33 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ -0.0021008500000000, -0.0017175900000000, -0.0000826800000000 ] - [ 0.0004058500000000, 0.0006356100000000, 0.0005838700000000 ] - [ 0.0024037300000000, -0.0017611200000000, -0.0039931100000000 ] - [ -0.0006432900000000, 0.0009068100000000, -0.0004050400000000 ] - [ -0.0022769200000000, 0.0040832800000000, 0.0012395800000000 ] - [ 0.0016612300000000, 0.0000625000000000, -0.0007994300000000 ] - [ -0.0005972800000000, 0.0004410700000000, 0.0005238900000000 ] - [ -0.0004943600000000, -0.0002599000000000, 0.0011941600000000 ] - [ 0.0036590700000000, -0.0028663900000000, -0.0007618700000000 ] - [ -0.0002476200000000, -0.0002426300000000, 0.0005051900000000 ] - [ 0.0010536100000000, 0.0005369000000000, -0.0001680900000000 ] - [ -0.0030213600000000, -0.0025419500000000, -0.0023467700000000 ] - [ 0.0001002000000000, -0.0006246100000000, 0.0012494200000000 ] - [ -0.0009226900000000, 0.0023371400000000, -0.0008329000000000 ] - [ -0.0006951600000000, 0.0002805900000000, 0.0003769700000000 ] - [ 0.0010938900000000, 0.0007371300000000, 0.0001093900000000 ] - [ -0.0015936900000000, -0.0011139100000000, 0.0009123300000000 ] - [ -0.0004361900000000, -0.0007053300000000, 0.0004890700000000 ] - [ 0.0122931600000000, -0.0206643800000000, -0.0139011100000000 ] - [ 0.0017265000000000, 0.0010010800000000, 0.0019796500000000 ] - [ 0.0010682800000000, 0.0005174200000000, -0.0004044800000000 ] - [ 0.0009804700000000, 0.0002093400000000, -0.0002855100000000 ] - [ -0.0006693600000000, 0.0003878100000000, -0.0019340700000000 ] - [ -0.0012101900000000, 0.0002021300000000, 0.0001435400000000 ] - [ 0.0019953700000000, 0.0009041500000000, -0.0008292200000000 ] - [ -0.0061123400000000, 0.0015925300000000, 0.0033970400000000 ] - [ -0.0001678900000000, -0.0005217300000000, 0.0002840700000000 ] - [ 0.0000812200000000, -0.0011976800000000, -0.0000245500000000 ] - [ 0.0001619700000000, 0.0025539000000000, -0.0069030200000000 ] - [ -0.0005304000000000, 0.0015383600000000, -0.0023321500000000 ] - [ -0.0002495500000000, -0.0000602900000000, -0.0004588700000000 ] - [ 0.0004040100000000, -0.0004115000000000, -0.0007925700000000 ] - [ -0.2378172200000000, 0.0957282800000000, 0.1165303600000000 ] - [ 0.0063290200000000, -0.0004956900000000, 0.0004397000000000 ] - [ -0.0004190300000000, 0.0001426500000000, -0.0003106300000000 ] - [ -0.0001237300000000, 0.0003381500000000, -0.0003142100000000 ] - [ -0.0006241700000000, -0.0004224500000000, -0.0027325300000000 ] - [ -0.0003034600000000, 0.0002921300000000, -0.0015263900000000 ] - [ -0.0000188700000000, -0.0013439800000000, 0.0001307700000000 ] - [ -0.0003092100000000, -0.0009567200000000, 0.0004429400000000 ] - [ 0.0159684000000000, 0.0021633800000000, 0.0059897400000000 ] - [ 0.0296870900000000, 0.0075036600000000, -0.0004571900000000 ] - [ 0.0003522000000000, -0.0001920600000000, 0.0001314500000000 ] - [ 0.0008967600000000, -0.0005750100000000, -0.0000261100000000 ] - [ 0.0035097200000000, 0.0021001400000000, -0.0028298900000000 ] - [ -0.0016943200000000, -0.0012636700000000, 0.0002485200000000 ] - [ -0.0000865500000000, -0.0002879000000000, -0.0001206100000000 ] - [ -0.0000845500000000, -0.0010386400000000, -0.0002400800000000 ] - [ 0.0136445500000000, -0.0174495600000000, -0.0109994100000000 ] - [ 0.0013700200000000, 0.0018597700000000, 0.0011312100000000 ] - [ 0.0000658400000000, -0.0007474000000000, 0.0001451700000000 ] - [ -0.0008405800000000, -0.0002384700000000, 0.0004544000000000 ] - [ -0.0094967700000000, 0.0050776800000000, -0.0158789500000000 ] - [ 0.0015252500000000, -0.0003399900000000, -0.0039379500000000 ] - [ 0.0004610400000000, -0.0005470700000000, -0.0001046500000000 ] - [ 0.0005359300000000, -0.0005197900000000, -0.0000336500000000 ] - [ -0.0040916500000000, 0.0029151000000000, 0.0127962400000000 ] - [ 0.0007722400000000, -0.0011271900000000, -0.0020012900000000 ] - [ -0.0019966200000000, 0.0011928900000000, 0.0020761700000000 ] - [ 0.0033419300000000, 0.0021203100000000, 0.0015749800000000 ] - [ 0.0038788400000000, 0.0107282000000000, -0.0237428000000000 ] - [ -0.0111097300000000, -0.0094456500000000, 0.0003631800000000 ] - [ 0.0000682500000000, 0.0002511500000000, -0.0018820800000000 ] - [ -0.0017126000000000, 0.0007611300000000, -0.0014228300000000 ] - [ 0.0020708900000000, 0.0024327500000000, -0.0003715000000000 ] - [ -0.0033593300000000, 0.0016106300000000, 0.0002500400000000 ] - [ 0.0028345000000000, 0.0038991100000000, 0.0140568100000000 ] - [ -0.0003874000000000, -0.0022136000000000, -0.0007634600000000 ] - [ 0.0016938200000000, -0.0019201400000000, 0.0001031900000000 ] - [ -0.0014360200000000, 0.0005652300000000, -0.0005545500000000 ] - [ -0.0012253200000000, -0.0030497300000000, 0.0027177100000000 ] - [ 0.0014729300000000, 0.0006494600000000, -0.0006271600000000 ] - [ -0.0001306500000000, 0.0012420400000000, 0.0011322500000000 ] - [ 0.0001664000000000, 0.0006088000000000, 0.0005879200000000 ] - [ 0.0033730900000000, 0.0048170400000000, 0.0049226700000000 ] - [ -0.0011291900000000, -0.0036453000000000, 0.0084431800000000 ] - [ -0.0001442800000000, 0.0017374600000000, -0.0006010400000000 ] - [ 0.0002527400000000, 0.0008511800000000, -0.0008451800000000 ] - [ 0.1867537400000000, -0.0836327200000000, -0.0797143600000000 ] - [ -0.0096033900000000, -0.0043743100000000, 0.0016371900000000 ]- atom: 41 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.0009226100000000, -0.0006062400000000, 0.0004815100000000 ] - [ 0.0016400700000000, 0.0029347400000000, 0.0024744100000000 ] - [ -0.0007295300000000, 0.0011158700000000, 0.0021265900000000 ] - [ 0.0009440400000000, 0.0001517400000000, -0.0020141200000000 ] - [ 0.0051811600000000, 0.0038892200000000, -0.0019170700000000 ] - [ -0.0020640500000000, -0.0088781100000000, 0.0019026300000000 ] - [ -0.0029134800000000, 0.0027315300000000, 0.0007876000000000 ] - [ 0.0009128300000000, -0.0008983300000000, 0.0003294900000000 ] - [ 0.0015793900000000, -0.0003566600000000, -0.0000298900000000 ] - [ -0.0027255000000000, 0.0015601400000000, 0.0011813600000000 ] - [ -0.0012651500000000, -0.0006365900000000, -0.0016209700000000 ] - [ 0.0023938900000000, 0.0008470900000000, 0.0022055400000000 ] - [ -0.0092851600000000, 0.0153420300000000, -0.0043363900000000 ] - [ 0.0024754200000000, -0.0007320100000000, 0.0000515500000000 ] - [ -0.0001174000000000, -0.0003776400000000, 0.0004401700000000 ] - [ 0.0018374800000000, 0.0028840500000000, -0.0002219500000000 ] - [ -0.0015487300000000, -0.0001032600000000, -0.0001482900000000 ] - [ 0.0001481200000000, 0.0012965200000000, -0.0003737900000000 ] - [ 0.0074636700000000, 0.0120175000000000, 0.0218566000000000 ] - [ 0.0027375900000000, -0.0034969500000000, -0.0039148200000000 ] - [ 0.0016596300000000, 0.0015662500000000, -0.0009896300000000 ] - [ -0.0009075500000000, 0.0005253200000000, 0.0003472300000000 ] - [ -0.0010080700000000, 0.0008838400000000, -0.0032047100000000 ] - [ -0.0013033800000000, -0.0001407000000000, 0.0009309200000000 ] - [ -0.0039046500000000, 0.0116330400000000, -0.0088158100000000 ] - [ 0.0036889000000000, -0.0056491700000000, 0.0030043200000000 ] - [ 0.0008464400000000, 0.0008879700000000, 0.0008538800000000 ] - [ -0.0020232700000000, 0.0006902600000000, 0.0013552500000000 ] - [ 0.0009596800000000, -0.0026611100000000, 0.0051321800000000 ] - [ -0.0009364900000000, 0.0007790900000000, -0.0046480400000000 ] - [ -0.0002548400000000, 0.0020007300000000, 0.0003621900000000 ] - [ 0.0005347000000000, 0.0026521800000000, 0.0009943300000000 ] - [ 0.0427806700000000, -0.0094408400000000, 0.0071020700000000 ] - [ 0.0432055600000000, 0.0063935000000000, -0.0095840200000000 ] - [ 0.0001652400000000, 0.0019597100000000, -0.0003328700000000 ] - [ 0.0008743000000000, 0.0016524700000000, -0.0005402700000000 ] - [ 0.0022749800000000, -0.0046767400000000, -0.0027444600000000 ] - [ 0.0011265700000000, -0.0021071400000000, 0.0026184200000000 ] - [ 0.0007365700000000, 0.0006839500000000, 0.0005602000000000 ] - [ 0.0004079100000000, 0.0001704600000000, 0.0003617500000000 ] - [ -0.3870175200000000, -0.2717681000000000, 0.0704324200000000 ] - [ 0.0126387500000000, 0.0024380400000000, -0.0008985300000000 ] - [ 0.0000977900000000, 0.0007111500000000, 0.0000436200000000 ] - [ -0.0005454500000000, 0.0017971000000000, 0.0001003000000000 ] - [ 0.0022305900000000, 0.0000916800000000, 0.0005206800000000 ] - [ -0.0050881900000000, -0.0063506000000000, -0.0023431300000000 ] - [ -0.0008754100000000, 0.0008074500000000, -0.0000099700000000 ] - [ -0.0009005800000000, 0.0013277500000000, 0.0003419800000000 ] - [ 0.0032827800000000, -0.0026039000000000, -0.0027737100000000 ] - [ 0.0060354500000000, 0.0260980400000000, 0.0093601800000000 ] - [ -0.0009844500000000, 0.0014358300000000, -0.0003031000000000 ] - [ -0.0000861300000000, 0.0009672800000000, -0.0002471300000000 ] - [ 0.0168928200000000, -0.0016507800000000, -0.0259519100000000 ] - [ 0.0024901600000000, -0.0008444700000000, 0.0051498400000000 ] - [ 0.0003133200000000, 0.0007076600000000, -0.0002128200000000 ] - [ 0.0007133600000000, 0.0006705400000000, -0.0004502900000000 ] - [ -0.0046900500000000, 0.0031161100000000, 0.0024087600000000 ] - [ 0.0079460800000000, -0.0017419400000000, -0.0167601800000000 ] - [ 0.0024776800000000, -0.0023298500000000, 0.0020813600000000 ] - [ -0.0002879800000000, -0.0026126900000000, 0.0008331600000000 ] - [ 0.0533089500000000, 0.0256697600000000, 0.0060994200000000 ] - [ -0.0162946600000000, 0.0193396400000000, -0.0068853200000000 ] - [ 0.0013466200000000, -0.0019829100000000, -0.0008768000000000 ] - [ -0.0027971900000000, -0.0033805600000000, -0.0000253800000000 ] - [ 0.0025924700000000, -0.0007645400000000, 0.0004871700000000 ] - [ -0.0034663200000000, -0.0037522200000000, -0.0002903500000000 ] - [ -0.0029127900000000, 0.0037767800000000, -0.0135220900000000 ] - [ 0.0004338300000000, 0.0008670900000000, 0.0068662900000000 ] - [ -0.0054208900000000, -0.0036796900000000, 0.0008968000000000 ] - [ 0.0169304200000000, 0.0000736900000000, -0.0034714900000000 ] - [ 0.0012080400000000, -0.0102442500000000, 0.0053745500000000 ] - [ -0.0010248000000000, 0.0030639700000000, -0.0011769300000000 ] - [ -0.0004926900000000, -0.0029724300000000, -0.0008382300000000 ] - [ -0.0002379500000000, -0.0023373700000000, 0.0001523400000000 ] - [ 0.0033843800000000, 0.0149972400000000, 0.0150239600000000 ] - [ -0.0041314400000000, 0.0005466900000000, -0.0079133100000000 ] - [ 0.0006001200000000, -0.0029055700000000, -0.0006496100000000 ] - [ -0.0008541700000000, -0.0017207000000000, -0.0008744300000000 ] - [ -0.0204255600000000, 0.0084258000000000, 0.0057646000000000 ] - [ 0.2289456500000000, 0.1702255800000000, -0.0574858000000000 ]- atom: 41 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.0000503700000000, 0.0010035300000000, 0.0009033800000000 ] - [ -0.0025262100000000, -0.0025610200000000, -0.0011081600000000 ] - [ 0.0016078200000000, -0.0007264700000000, -0.0035159800000000 ] - [ -0.0000630800000000, 0.0002348500000000, 0.0006307300000000 ] - [ -0.0043282700000000, -0.0043155100000000, 0.0005461900000000 ] - [ 0.0029467700000000, 0.0084535200000000, -0.0032860200000000 ] - [ 0.0020677700000000, -0.0031618000000000, 0.0005889500000000 ] - [ -0.0018034300000000, 0.0005204500000000, 0.0010507700000000 ] - [ -0.0008432900000000, -0.0000245700000000, 0.0005767500000000 ] - [ 0.0034808100000000, -0.0019538200000000, -0.0006458800000000 ] - [ 0.0005150000000000, 0.0002458200000000, 0.0010822400000000 ] - [ -0.0031362500000000, -0.0012303000000000, -0.0027454300000000 ] - [ 0.0086508300000000, -0.0150193500000000, 0.0038101200000000 ] - [ -0.0032278800000000, 0.0011092700000000, -0.0005869400000000 ] - [ 0.0008758800000000, 0.0007739700000000, 0.0000988000000000 ] - [ -0.0011390700000000, -0.0025555800000000, 0.0007591900000000 ] - [ -0.0003395600000000, -0.0006863100000000, 0.0001377100000000 ] - [ -0.0020504900000000, -0.0020939400000000, 0.0003639500000000 ] - [ -0.0054982600000000, -0.0128687800000000, -0.0219338000000000 ] - [ -0.0008426400000000, 0.0026905500000000, 0.0039079300000000 ] - [ 0.0002324900000000, -0.0007898300000000, 0.0010115300000000 ] - [ 0.0028099000000000, 0.0002599700000000, -0.0003329700000000 ] - [ -0.0008763100000000, -0.0001102600000000, 0.0032446500000000 ] - [ -0.0005914600000000, 0.0009330000000000, -0.0009596300000000 ] - [ 0.0038374900000000, -0.0135313900000000, 0.0089106200000000 ] - [ -0.0036270400000000, 0.0041041800000000, -0.0031928000000000 ] - [ -0.0009399000000000, -0.0025269200000000, -0.0007181300000000 ] - [ 0.0019413000000000, -0.0023323100000000, -0.0012233300000000 ] - [ -0.0010495900000000, 0.0042955800000000, -0.0049938900000000 ] - [ 0.0008567200000000, 0.0008562900000000, 0.0047997300000000 ] - [ 0.0003458400000000, -0.0003879400000000, -0.0005084100000000 ] - [ -0.0004487200000000, -0.0010424700000000, -0.0011425100000000 ] - [ -0.0435142600000000, 0.0108581300000000, -0.0064298600000000 ] - [ -0.0421499400000000, -0.0048932400000000, 0.0101391200000000 ] - [ -0.0002576500000000, -0.0007149400000000, -0.0006248600000000 ] - [ -0.0009723100000000, -0.0004033400000000, -0.0004161800000000 ] - [ -0.0023782600000000, 0.0034566500000000, 0.0018065600000000 ] - [ -0.0012340200000000, 0.0008641200000000, -0.0035919200000000 ] - [ -0.0006519800000000, -0.0019499200000000, 0.0003973900000000 ] - [ -0.0003207400000000, -0.0014351700000000, 0.0005955200000000 ] - [ 0.3829158700000000, 0.2658293900000000, -0.0660546800000000 ] - [ -0.0134243300000000, -0.0024442600000000, 0.0010925900000000 ] - [ 0.0006475700000000, -0.0007105700000000, -0.0002038200000000 ] - [ 0.0012915400000000, -0.0018057000000000, -0.0002621600000000 ] - [ -0.0014961400000000, -0.0000892600000000, -0.0006705100000000 ] - [ 0.0058931200000000, 0.0063577100000000, 0.0021473400000000 ] - [ 0.0001401200000000, -0.0008237000000000, 0.0001700100000000 ] - [ 0.0001656500000000, -0.0013439200000000, -0.0001844400000000 ] - [ -0.0023383800000000, 0.0032385700000000, 0.0029034500000000 ] - [ -0.0052803900000000, -0.0253550500000000, -0.0093205100000000 ] - [ 0.0000304200000000, -0.0008468500000000, 0.0002148900000000 ] - [ -0.0008683400000000, -0.0003773800000000, 0.0001547100000000 ] - [ -0.0181524100000000, 0.0009864800000000, 0.0262930600000000 ] - [ -0.0034529100000000, 0.0002560300000000, -0.0052078600000000 ] - [ 0.0006452900000000, -0.0013143200000000, 0.0003093400000000 ] - [ 0.0002369600000000, -0.0012768700000000, 0.0005476300000000 ] - [ 0.0030798800000000, -0.0034219600000000, -0.0043479800000000 ] - [ -0.0096029900000000, 0.0015086900000000, 0.0149841100000000 ] - [ -0.0008436400000000, 0.0020802000000000, -0.0002136900000000 ] - [ 0.0019127200000000, 0.0023568400000000, 0.0010494200000000 ] - [ -0.0557322600000000, -0.0291984300000000, -0.0043863300000000 ] - [ 0.0179458500000000, -0.0189717200000000, 0.0087121400000000 ] - [ -0.0030099100000000, 0.0022737300000000, -0.0010033000000000 ] - [ 0.0012005500000000, 0.0036823500000000, -0.0018481400000000 ] - [ -0.0029399300000000, 0.0012169000000000, 0.0003006400000000 ] - [ 0.0031593800000000, 0.0042167300000000, 0.0010769400000000 ] - [ 0.0032445800000000, -0.0033478200000000, 0.0127320900000000 ] - [ -0.0000974500000000, -0.0004104500000000, -0.0076344500000000 ] - [ 0.0057709300000000, 0.0032757500000000, -0.0016994900000000 ] - [ -0.0166410000000000, -0.0005466300000000, 0.0026971600000000 ] - [ -0.0015697800000000, 0.0099931900000000, -0.0046446900000000 ] - [ 0.0006903000000000, -0.0035611400000000, 0.0019904700000000 ] - [ 0.0002757300000000, 0.0024812000000000, 0.0009793100000000 ] - [ 0.0000189600000000, 0.0018435400000000, -0.0000133600000000 ] - [ -0.0032361400000000, -0.0156514300000000, -0.0151994500000000 ] - [ 0.0043767700000000, -0.0010965100000000, 0.0077628100000000 ] - [ -0.0003803700000000, 0.0034410800000000, 0.0005186700000000 ] - [ 0.0010785000000000, 0.0022520000000000, 0.0007442500000000 ] - [ 0.0202590000000000, -0.0080023400000000, -0.0056725900000000 ] - [ -0.2213217300000000, -0.1600387900000000, 0.0537812900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006500500000000, 0.0003246600000000, 0.0003358000000000 ] - [ 0.0023878500000000, 0.0040808600000000, 0.0029691800000000 ] - [ -0.0006642000000000, 0.0009934200000000, 0.0020018400000000 ] - [ 0.0014367700000000, -0.0002183500000000, -0.0019976900000000 ] - [ 0.0046749200000000, 0.0014006500000000, -0.0014982700000000 ] - [ -0.0088305000000000, 0.0007938000000000, 0.0001925700000000 ] - [ -0.0035965500000000, 0.0045285000000000, 0.0007755900000000 ] - [ 0.0003286200000000, 0.0000631700000000, 0.0006352400000000 ] - [ 0.0009710900000000, 0.0002377300000000, -0.0002124200000000 ] - [ -0.0030993100000000, 0.0027422200000000, 0.0011293100000000 ] - [ -0.0012580900000000, -0.0007460200000000, -0.0005630500000000 ] - [ 0.0024881000000000, 0.0007541300000000, 0.0021466100000000 ] - [ -0.0028563500000000, 0.0363116000000000, -0.0100873000000000 ] - [ 0.0000823300000000, -0.0002975400000000, -0.0003785600000000 ] - [ -0.0000779300000000, 0.0004806400000000, 0.0004234000000000 ] - [ 0.0040270000000000, 0.0056313100000000, 0.0001810700000000 ] - [ -0.0016105500000000, 0.0008352300000000, -0.0003708200000000 ] - [ 0.0002305900000000, 0.0020802900000000, -0.0005748200000000 ] - [ 0.0133664600000000, 0.0106640200000000, 0.0255164000000000 ] - [ 0.0012209600000000, -0.0026992700000000, -0.0011095000000000 ] - [ 0.0013788100000000, 0.0014410100000000, -0.0008941500000000 ] - [ -0.0013509100000000, 0.0020418400000000, -0.0033317600000000 ] - [ -0.0016952300000000, 0.0017285900000000, -0.0048215400000000 ] - [ -0.0009756500000000, 0.0002690900000000, 0.0011811700000000 ] - [ 0.0091821800000000, 0.0233733100000000, -0.0216049700000000 ] - [ 0.0012687900000000, -0.0030803300000000, 0.0014695900000000 ] - [ 0.0006125100000000, 0.0012832000000000, 0.0011498200000000 ] - [ -0.0018376900000000, 0.0047674300000000, 0.0035144600000000 ] - [ 0.0008859600000000, -0.0041312600000000, 0.0044295100000000 ] - [ -0.0003973200000000, -0.0019675700000000, -0.0007359600000000 ] - [ -0.0000818700000000, 0.0035760300000000, 0.0011279500000000 ] - [ 0.0005787000000000, 0.0039679100000000, 0.0015127200000000 ] - [ 0.0039248900000000, -0.0065834200000000, 0.0002501100000000 ] - [ 0.0102177400000000, -0.0094136800000000, -0.0021229900000000 ] - [ 0.0012733400000000, 0.0037721900000000, 0.0000773700000000 ] - [ 0.0010442700000000, 0.0025260300000000, -0.0005056100000000 ] - [ 0.0014660600000000, -0.0045987300000000, -0.0020358100000000 ] - [ 0.0026460300000000, -0.0043113200000000, 0.0025918300000000 ] - [ 0.0010322300000000, 0.0013777800000000, 0.0007324600000000 ] - [ 0.0012296400000000, 0.0013988400000000, -0.0000208800000000 ] - [ -0.2723969900000000, -0.3117109000000000, 0.0636963000000000 ] - [ 0.0020604100000000, -0.0010297000000000, 0.0003252900000000 ] - [ -0.0003432300000000, 0.0017173000000000, 0.0000975000000000 ] - [ -0.0014325400000000, 0.0035919200000000, 0.0006577600000000 ] - [ 0.0004575400000000, -0.0020420400000000, 0.0003127100000000 ] - [ -0.0059925400000000, -0.0041473000000000, 0.0052792000000000 ] - [ -0.0011858300000000, 0.0016428500000000, 0.0001958300000000 ] - [ -0.0017057400000000, 0.0024733200000000, 0.0001268600000000 ] - [ 0.0011787100000000, -0.0014576300000000, -0.0011740400000000 ] - [ 0.0231625300000000, 0.0280230300000000, 0.0130659200000000 ] - [ -0.0008320900000000, 0.0021209000000000, 0.0005168000000000 ] - [ -0.0002303900000000, 0.0016146800000000, -0.0006081200000000 ] - [ 0.0092731200000000, -0.0070505700000000, -0.0145556500000000 ] - [ -0.0003183800000000, -0.0033290200000000, 0.0004547000000000 ] - [ 0.0002606700000000, 0.0018027300000000, -0.0005791500000000 ] - [ 0.0008409000000000, 0.0017901200000000, -0.0009139300000000 ] - [ -0.0027542900000000, 0.0029378700000000, 0.0025179500000000 ] - [ 0.0054513300000000, -0.0035350200000000, -0.0206169100000000 ] - [ 0.0023591000000000, -0.0032852800000000, 0.0009731000000000 ] - [ -0.0004372000000000, -0.0043692800000000, 0.0037681400000000 ] - [ 0.0250981700000000, 0.0377016300000000, 0.0034066600000000 ] - [ 0.0002866400000000, 0.0135229700000000, -0.0017456200000000 ] - [ 0.0015888300000000, -0.0055365800000000, -0.0006062200000000 ] - [ -0.0028346300000000, -0.0064275000000000, -0.0001880900000000 ] - [ 0.0030136000000000, -0.0038443800000000, 0.0001685300000000 ] - [ -0.0038213000000000, -0.0060459400000000, -0.0000632800000000 ] - [ -0.0024661600000000, 0.0054927200000000, -0.0135371300000000 ] - [ 0.0002056100000000, 0.0033420000000000, 0.0020666800000000 ] - [ -0.0032971900000000, -0.0035273700000000, 0.0005088300000000 ] - [ 0.0198685900000000, -0.0100835700000000, 0.0018300400000000 ] - [ 0.0019736900000000, -0.0187987300000000, 0.0068612200000000 ] - [ -0.0005232100000000, 0.0013112000000000, -0.0010112700000000 ] - [ -0.0002568000000000, -0.0052188000000000, -0.0010687700000000 ] - [ -0.0008873800000000, -0.0047698200000000, -0.0000043900000000 ] - [ 0.0042226500000000, 0.0159070000000000, 0.0067261600000000 ] - [ -0.0034336300000000, 0.0070423000000000, -0.0035042400000000 ] - [ -0.0003237800000000, -0.0069623900000000, -0.0036512600000000 ] - [ -0.0006098700000000, -0.0034008200000000, -0.0008893300000000 ] - [ -0.0050361600000000, 0.0044337800000000, 0.0008156900000000 ] - [ 0.1708436400000000, 0.1947063200000000, -0.0511323700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002268700000000, 0.0000613900000000, 0.0010407600000000 ] - [ -0.0032490000000000, -0.0036701300000000, -0.0015725200000000 ] - [ 0.0015440800000000, -0.0005999800000000, -0.0033930800000000 ] - [ -0.0005722200000000, 0.0006214700000000, 0.0006294500000000 ] - [ -0.0038168800000000, -0.0017891900000000, 0.0001221900000000 ] - [ 0.0098145000000000, -0.0012330300000000, -0.0015777800000000 ] - [ 0.0027147000000000, -0.0049118100000000, 0.0006012400000000 ] - [ -0.0011936400000000, -0.0004681400000000, 0.0007412500000000 ] - [ -0.0002220600000000, -0.0006284300000000, 0.0007498700000000 ] - [ 0.0038289100000000, -0.0031229600000000, -0.0005847600000000 ] - [ 0.0005258500000000, 0.0003716300000000, 0.0000302300000000 ] - [ -0.0032496600000000, -0.0011416600000000, -0.0026984700000000 ] - [ 0.0019945700000000, -0.0366512500000000, 0.0097651700000000 ] - [ -0.0008327800000000, 0.0006952400000000, -0.0001628500000000 ] - [ 0.0008100800000000, -0.0001062300000000, 0.0001158800000000 ] - [ -0.0032661400000000, -0.0052303500000000, 0.0003616700000000 ] - [ -0.0002878800000000, -0.0016238800000000, 0.0003620600000000 ] - [ -0.0021189300000000, -0.0028630800000000, 0.0005635500000000 ] - [ -0.0116008600000000, -0.0115381100000000, -0.0257604000000000 ] - [ 0.0006696500000000, 0.0019333500000000, 0.0011384700000000 ] - [ 0.0005136400000000, -0.0006507700000000, 0.0009024600000000 ] - [ 0.0032572800000000, -0.0012486800000000, 0.0033478200000000 ] - [ -0.0002102000000000, -0.0009305900000000, 0.0047814200000000 ] - [ -0.0009204800000000, 0.0005110200000000, -0.0011823800000000 ] - [ -0.0088830100000000, -0.0247764500000000, 0.0210546700000000 ] - [ -0.0011777200000000, 0.0014305000000000, -0.0015950100000000 ] - [ -0.0007045900000000, -0.0028991400000000, -0.0010063900000000 ] - [ 0.0017606400000000, -0.0063969400000000, -0.0033819300000000 ] - [ -0.0009775400000000, 0.0057598300000000, -0.0043030100000000 ] - [ 0.0003112100000000, 0.0035896000000000, 0.0008912600000000 ] - [ 0.0001701300000000, -0.0019543100000000, -0.0012673700000000 ] - [ -0.0004864100000000, -0.0023444600000000, -0.0016527100000000 ] - [ -0.0036927600000000, 0.0078284800000000, 0.0007283500000000 ] - [ -0.0104654000000000, 0.0104920600000000, 0.0031509700000000 ] - [ -0.0013627300000000, -0.0025151900000000, -0.0010353600000000 ] - [ -0.0011295500000000, -0.0012677200000000, -0.0004522800000000 ] - [ -0.0015507600000000, 0.0033428100000000, 0.0010766600000000 ] - [ -0.0027280200000000, 0.0030312800000000, -0.0035364500000000 ] - [ -0.0009431300000000, -0.0026332400000000, 0.0002247000000000 ] - [ -0.0011418900000000, -0.0026545000000000, 0.0009820100000000 ] - [ 0.2652048800000000, 0.3073362300000000, -0.0602232700000000 ] - [ -0.0028198800000000, 0.0010407200000000, -0.0001826800000000 ] - [ 0.0010792600000000, -0.0017085600000000, -0.0002559700000000 ] - [ 0.0021711600000000, -0.0035831200000000, -0.0008180800000000 ] - [ 0.0002782600000000, 0.0020203500000000, -0.0004760900000000 ] - [ 0.0067225200000000, 0.0041225400000000, -0.0054196000000000 ] - [ 0.0004467500000000, -0.0016476400000000, -0.0000359200000000 ] - [ 0.0009673400000000, -0.0024807800000000, 0.0000323500000000 ] - [ -0.0002223200000000, 0.0020332900000000, 0.0012485500000000 ] - [ -0.0216085000000000, -0.0268067900000000, -0.0126768300000000 ] - [ -0.0001215800000000, -0.0015213900000000, -0.0006123600000000 ] - [ -0.0007253200000000, -0.0010162400000000, 0.0005179200000000 ] - [ -0.0102712000000000, 0.0065267600000000, 0.0145325600000000 ] - [ -0.0006508500000000, 0.0027275300000000, -0.0005845700000000 ] - [ 0.0006929000000000, -0.0023984700000000, 0.0006699100000000 ] - [ 0.0001147600000000, -0.0023854600000000, 0.0010052100000000 ] - [ 0.0011182400000000, -0.0031828400000000, -0.0043681300000000 ] - [ -0.0070234100000000, 0.0032841600000000, 0.0186364900000000 ] - [ -0.0007371300000000, 0.0030033800000000, 0.0009072200000000 ] - [ 0.0020755500000000, 0.0040928700000000, -0.0018958400000000 ] - [ -0.0262202200000000, -0.0386205300000000, -0.0016123600000000 ] - [ 0.0014081600000000, -0.0134113400000000, 0.0036733800000000 ] - [ -0.0032046400000000, 0.0058075500000000, -0.0012695900000000 ] - [ 0.0011898100000000, 0.0066971000000000, -0.0016867600000000 ] - [ -0.0033304200000000, 0.0042876500000000, 0.0006152500000000 ] - [ 0.0034716000000000, 0.0064732700000000, 0.0008475600000000 ] - [ 0.0027879900000000, -0.0050784500000000, 0.0127447300000000 ] - [ 0.0001221800000000, -0.0029262600000000, -0.0028867600000000 ] - [ 0.0036463600000000, 0.0030767500000000, -0.0012948400000000 ] - [ -0.0196048500000000, 0.0095930300000000, -0.0025996000000000 ] - [ -0.0022982600000000, 0.0182933900000000, -0.0060706500000000 ] - [ 0.0001975500000000, -0.0017145700000000, 0.0017857600000000 ] - [ 0.0000361100000000, 0.0047040400000000, 0.0012079000000000 ] - [ 0.0006708400000000, 0.0042558600000000, 0.0001397800000000 ] - [ -0.0040408000000000, -0.0164357100000000, -0.0068532700000000 ] - [ 0.0036522100000000, -0.0075094100000000, 0.0033978000000000 ] - [ 0.0005421600000000, 0.0074740900000000, 0.0035201400000000 ] - [ 0.0008291900000000, 0.0039078400000000, 0.0007495700000000 ] - [ 0.0048073900000000, -0.0038563200000000, -0.0006607900000000 ] - [ -0.1622579000000000, -0.1882929100000000, 0.0480525400000000 ]- atom: 41 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.0008300600000000, 0.0008722100000000, 0.0009319300000000 ] - [ -0.0008278800000000, -0.0005406200000000, -0.0000461200000000 ] - [ 0.0001901600000000, 0.0003414000000000, -0.0007436000000000 ] - [ 0.0004500700000000, -0.0002323400000000, 0.0006373100000000 ] - [ -0.0025167800000000, -0.0026104800000000, -0.0011003900000000 ] - [ 0.0033217100000000, 0.0049223100000000, -0.0034381000000000 ] - [ 0.0026492500000000, -0.0041594700000000, 0.0001238000000000 ] - [ -0.0014452300000000, 0.0001462600000000, 0.0010350500000000 ] - [ 0.0000798100000000, -0.0002362300000000, 0.0007108400000000 ] - [ 0.0013250200000000, -0.0000743100000000, -0.0003854500000000 ] - [ -0.0006405200000000, -0.0002810400000000, 0.0008512600000000 ] - [ 0.0004296200000000, 0.0001110100000000, 0.0001777400000000 ] - [ 0.0048566400000000, -0.0176475500000000, 0.0009500900000000 ] - [ -0.0018806500000000, 0.0007604400000000, -0.0004983200000000 ] - [ 0.0011526900000000, 0.0005069600000000, 0.0004412500000000 ] - [ -0.0031180600000000, -0.0046656900000000, 0.0003045600000000 ] - [ -0.0006553000000000, -0.0005188900000000, -0.0005357200000000 ] - [ -0.0013311500000000, -0.0010557800000000, -0.0004164900000000 ] - [ 0.0071553600000000, 0.0053920900000000, 0.0015621000000000 ] - [ -0.0001125400000000, 0.0016405900000000, 0.0031024100000000 ] - [ 0.0001173800000000, -0.0005640000000000, 0.0008211200000000 ] - [ 0.0025792900000000, -0.0001193300000000, 0.0006997800000000 ] - [ -0.0005685900000000, -0.0005172900000000, 0.0048610400000000 ] - [ -0.0003819000000000, 0.0012747300000000, 0.0009236600000000 ] - [ -0.0050357200000000, -0.0316725200000000, 0.0166478500000000 ] - [ -0.0017824500000000, 0.0012472300000000, -0.0013140800000000 ] - [ -0.0005867500000000, -0.0019650900000000, -0.0005326700000000 ] - [ 0.0015730200000000, -0.0028351100000000, -0.0015356200000000 ] - [ 0.0000895300000000, 0.0015284200000000, -0.0007681300000000 ] - [ 0.0004112300000000, -0.0003976600000000, 0.0051060000000000 ] - [ 0.0000642500000000, 0.0003317300000000, -0.0001722300000000 ] - [ -0.0000802800000000, -0.0000234600000000, -0.0004876800000000 ] - [ -0.0158086900000000, 0.0048789500000000, -0.0051542900000000 ] - [ -0.0320110400000000, -0.0029992400000000, -0.0002024300000000 ] - [ -0.0002913400000000, -0.0006166300000000, -0.0008459000000000 ] - [ -0.0005768200000000, -0.0000181700000000, -0.0005337200000000 ] - [ -0.0037870700000000, 0.0035838100000000, 0.0019250900000000 ] - [ 0.0010953300000000, -0.0001445400000000, -0.0013653300000000 ] - [ -0.0004165800000000, -0.0012924000000000, 0.0005740600000000 ] - [ -0.0002719600000000, -0.0013394200000000, 0.0007800700000000 ] - [ 0.2534875400000000, 0.1883248600000000, -0.1190082200000000 ] - [ -0.0078971200000000, -0.0010299900000000, -0.0001445200000000 ] - [ 0.0006171500000000, -0.0005122100000000, -0.0002385000000000 ] - [ 0.0009963400000000, -0.0015517900000000, -0.0005191200000000 ] - [ -0.0000821100000000, 0.0002846200000000, -0.0001746400000000 ] - [ 0.0012437000000000, 0.0079107400000000, 0.0073492900000000 ] - [ -0.0001873100000000, -0.0005212000000000, 0.0002716200000000 ] - [ 0.0001286100000000, -0.0007275400000000, 0.0001658300000000 ] - [ -0.0011801500000000, 0.0014029100000000, 0.0006924000000000 ] - [ 0.0042361800000000, -0.0038192000000000, -0.0090782300000000 ] - [ -0.0004203000000000, -0.0000949200000000, -0.0002250700000000 ] - [ -0.0005390600000000, -0.0000227300000000, 0.0000520900000000 ] - [ -0.0241481000000000, -0.0010381000000000, 0.0253462800000000 ] - [ -0.0004716100000000, 0.0002274100000000, -0.0031204200000000 ] - [ 0.0007164200000000, -0.0011820600000000, 0.0004873200000000 ] - [ 0.0000952900000000, -0.0013307700000000, 0.0008422100000000 ] - [ 0.0028068100000000, -0.0035104600000000, -0.0040649200000000 ] - [ -0.0079136500000000, -0.0034115800000000, 0.0043442500000000 ] - [ 0.0012385000000000, 0.0006453900000000, -0.0002752100000000 ] - [ 0.0002173900000000, 0.0009036600000000, -0.0004360200000000 ] - [ -0.0223587300000000, -0.0120057000000000, 0.0138346300000000 ] - [ 0.0107410000000000, -0.0147259600000000, 0.0076512500000000 ] - [ -0.0033127800000000, 0.0023070100000000, -0.0006002900000000 ] - [ 0.0013641200000000, 0.0035439600000000, -0.0004099300000000 ] - [ -0.0004627100000000, 0.0000644900000000, 0.0009521200000000 ] - [ 0.0005135200000000, 0.0017481200000000, 0.0010304100000000 ] - [ -0.0002557000000000, -0.0009722500000000, -0.0007064700000000 ] - [ 0.0007240900000000, 0.0014586800000000, -0.0067137100000000 ] - [ 0.0039261400000000, 0.0022450500000000, -0.0008381600000000 ] - [ -0.0138809300000000, 0.0025603200000000, 0.0019801800000000 ] - [ -0.0023884600000000, 0.0162344000000000, -0.0055860800000000 ] - [ -0.0000583700000000, -0.0018510900000000, -0.0002366500000000 ] - [ -0.0001037600000000, 0.0013276400000000, 0.0000814000000000 ] - [ 0.0001175800000000, 0.0012638000000000, -0.0006266800000000 ] - [ 0.0021056300000000, -0.0121777800000000, -0.0161875500000000 ] - [ -0.0006941700000000, 0.0000392800000000, 0.0019726900000000 ] - [ 0.0001391200000000, 0.0027059500000000, 0.0016554000000000 ] - [ 0.0006375500000000, 0.0015336300000000, 0.0006557500000000 ] - [ 0.0108301300000000, -0.0024221300000000, -0.0017654500000000 ] - [ -0.1631108100000000, -0.1248353200000000, 0.0784999600000000 ]- atom: 41 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ -0.0000397900000000, -0.0004731400000000, 0.0004420700000000 ] - [ -0.0000595700000000, 0.0009171100000000, 0.0014128100000000 ] - [ 0.0006744600000000, 0.0000589000000000, -0.0006198600000000 ] - [ 0.0004339400000000, 0.0006185400000000, -0.0020195400000000 ] - [ 0.0033972100000000, 0.0022167100000000, -0.0002851800000000 ] - [ -0.0024670800000000, -0.0053168400000000, 0.0020692100000000 ] - [ -0.0035495900000000, 0.0037997700000000, 0.0012648200000000 ] - [ 0.0005715600000000, -0.0005385300000000, 0.0003459500000000 ] - [ 0.0006552200000000, -0.0001457300000000, -0.0001747700000000 ] - [ -0.0005658100000000, -0.0003173400000000, 0.0009210300000000 ] - [ -0.0001105600000000, -0.0001129100000000, -0.0013920100000000 ] - [ -0.0011534900000000, -0.0004872800000000, -0.0007021800000000 ] - [ -0.0055624900000000, 0.0179494500000000, -0.0015232900000000 ] - [ 0.0011355100000000, -0.0003773500000000, -0.0000391700000000 ] - [ -0.0004101300000000, -0.0001221100000000, 0.0000981000000000 ] - [ 0.0038945100000000, 0.0050871900000000, 0.0002390500000000 ] - [ -0.0012390200000000, -0.0002670100000000, 0.0005278600000000 ] - [ -0.0005691900000000, 0.0002613700000000, 0.0004156300000000 ] - [ -0.0052542500000000, -0.0061562200000000, -0.0014554200000000 ] - [ 0.0020122400000000, -0.0024410400000000, -0.0030987200000000 ] - [ 0.0017750500000000, 0.0013489400000000, -0.0008112700000000 ] - [ -0.0006833500000000, 0.0009074000000000, -0.0006892800000000 ] - [ -0.0013357600000000, 0.0013164000000000, -0.0049084600000000 ] - [ -0.0015076300000000, -0.0004860200000000, -0.0009360600000000 ] - [ 0.0052015600000000, 0.0305856200000000, -0.0170892100000000 ] - [ 0.0018757200000000, -0.0028688300000000, 0.0011709200000000 ] - [ 0.0004976500000000, 0.0003443000000000, 0.0006764200000000 ] - [ -0.0016591700000000, 0.0012124600000000, 0.0016789100000000 ] - [ -0.0001798100000000, 0.0000816900000000, 0.0009263300000000 ] - [ -0.0004933900000000, 0.0020126500000000, -0.0049562500000000 ] - [ 0.0000273800000000, 0.0012892900000000, 0.0000290000000000 ] - [ 0.0001671500000000, 0.0016419200000000, 0.0003432500000000 ] - [ 0.0159549100000000, -0.0036215000000000, 0.0060449700000000 ] - [ 0.0328242900000000, 0.0043536700000000, 0.0011780700000000 ] - [ 0.0002018100000000, 0.0018801400000000, -0.0001089000000000 ] - [ 0.0004855500000000, 0.0012757000000000, -0.0004209200000000 ] - [ 0.0036868100000000, -0.0048310500000000, -0.0028850100000000 ] - [ -0.0011889100000000, -0.0011071100000000, 0.0003991400000000 ] - [ 0.0005060100000000, 0.0000379400000000, 0.0003822700000000 ] - [ 0.0003644500000000, 0.0000836800000000, 0.0001759600000000 ] - [ -0.2591255900000000, -0.1940876900000000, 0.1198328200000000 ] - [ 0.0071968100000000, 0.0010416100000000, 0.0003081500000000 ] - [ 0.0001222100000000, 0.0005212400000000, 0.0000797600000000 ] - [ -0.0002583900000000, 0.0015651800000000, 0.0003623900000000 ] - [ 0.0008102600000000, -0.0002980600000000, 0.0000158600000000 ] - [ -0.0005341200000000, -0.0077980000000000, -0.0073639300000000 ] - [ -0.0005540100000000, 0.0005140800000000, -0.0001125100000000 ] - [ -0.0008701700000000, 0.0007241600000000, -0.0000068800000000 ] - [ 0.0021373200000000, -0.0008083200000000, -0.0006054100000000 ] - [ -0.0034729100000000, 0.0042091300000000, 0.0092090900000000 ] - [ -0.0005375100000000, 0.0006964000000000, 0.0001326200000000 ] - [ -0.0004140500000000, 0.0006204500000000, -0.0001445800000000 ] - [ 0.0227159900000000, 0.0002897700000000, -0.0250630000000000 ] - [ -0.0004942800000000, -0.0008255300000000, 0.0030492200000000 ] - [ 0.0002367600000000, 0.0005896300000000, -0.0004001200000000 ] - [ 0.0008614500000000, 0.0007392900000000, -0.0007535100000000 ] - [ -0.0044266300000000, 0.0032373400000000, 0.0022107500000000 ] - [ 0.0062254300000000, 0.0031600600000000, -0.0061178500000000 ] - [ 0.0004088800000000, -0.0009167200000000, 0.0021530500000000 ] - [ 0.0013985900000000, -0.0011812500000000, 0.0023133000000000 ] - [ 0.0232057500000000, 0.0114731700000000, -0.0124387100000000 ] - [ -0.0091316200000000, 0.0150843000000000, -0.0058239700000000 ] - [ 0.0016948900000000, -0.0020500900000000, -0.0012776000000000 ] - [ -0.0030008100000000, -0.0032882300000000, -0.0014857400000000 ] - [ 0.0001160200000000, 0.0003740500000000, -0.0001647200000000 ] - [ -0.0008205600000000, -0.0012920600000000, -0.0002462700000000 ] - [ 0.0005714500000000, 0.0014246800000000, -0.0001492900000000 ] - [ -0.0003987200000000, -0.0009945300000000, 0.0059354700000000 ] - [ -0.0035972400000000, -0.0026837700000000, 0.0000546700000000 ] - [ 0.0142170600000000, -0.0030240500000000, -0.0027494900000000 ] - [ 0.0020619500000000, -0.0167402500000000, 0.0063837600000000 ] - [ -0.0002751000000000, 0.0014117200000000, 0.0010256200000000 ] - [ -0.0001130100000000, -0.0018446900000000, 0.0000626600000000 ] - [ -0.0003380000000000, -0.0017799600000000, 0.0007696600000000 ] - [ -0.0019115900000000, 0.0116682500000000, 0.0160859700000000 ] - [ 0.0009324100000000, -0.0005528600000000, -0.0021180900000000 ] - [ 0.0000799900000000, -0.0022052900000000, -0.0017936100000000 ] - [ -0.0004180500000000, -0.0010246500000000, -0.0007945800000000 ] - [ -0.0110865200000000, 0.0029479800000000, 0.0019174600000000 ] - [ 0.1684716700000000, 0.1314926400000000, -0.0789187100000000 ]- atom: 49 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ 0.0018576100000000, 0.0097329500000000, 0.0085569700000000 ] - [ 0.0016092600000000, 0.0004136700000000, 0.0004877400000000 ] - [ 0.0003202700000000, 0.0003332900000000, -0.0012918200000000 ] - [ 0.0005642300000000, 0.0000133100000000, -0.0002753100000000 ] - [ -0.0016931300000000, -0.0022820400000000, 0.0001396000000000 ] - [ 0.0013843600000000, 0.0003652500000000, -0.0006897000000000 ] - [ 0.0001469000000000, -0.0001716500000000, -0.0000282400000000 ] - [ -0.0005074200000000, -0.0010635100000000, 0.0020180600000000 ] - [ 0.0089146500000000, -0.0121011700000000, -0.0062732900000000 ] - [ 0.0020899400000000, -0.0001974000000000, 0.0007432900000000 ] - [ -0.0001048500000000, -0.0003073000000000, 0.0001305400000000 ] - [ -0.0004333300000000, -0.0000929900000000, -0.0007295300000000 ] - [ 0.0005639300000000, -0.0004904500000000, -0.0002089200000000 ] - [ -0.0016309000000000, 0.0027383300000000, -0.0009426300000000 ] - [ -0.0010087200000000, -0.0001350100000000, -0.0006220800000000 ] - [ 0.0008477300000000, 0.0003688900000000, 0.0005780200000000 ] - [ 0.0005373300000000, 0.0036132800000000, -0.0011744100000000 ] - [ -0.0001042000000000, -0.0009838400000000, 0.0011103900000000 ] - [ 0.0019597800000000, -0.0021842600000000, -0.0026106200000000 ] - [ 0.0019265300000000, 0.0005691900000000, 0.0027200600000000 ] - [ 0.0003946300000000, 0.0002599500000000, 0.0000931000000000 ] - [ 0.0012789600000000, 0.0004738500000000, -0.0000085000000000 ] - [ -0.0021223500000000, 0.0001898800000000, -0.0012716100000000 ] - [ -0.0002963700000000, 0.0001843000000000, 0.0010130300000000 ] - [ 0.0006596800000000, -0.0006120200000000, -0.0000783700000000 ] - [ -0.0077768900000000, -0.0002757000000000, 0.0057517600000000 ] - [ -0.0006112200000000, -0.0008833400000000, 0.0001424100000000 ] - [ 0.0002583600000000, -0.0007813600000000, 0.0001327400000000 ] - [ 0.0001216000000000, 0.0038890700000000, -0.0030328100000000 ] - [ 0.0005333400000000, -0.0005443900000000, 0.0019291800000000 ] - [ 0.0005983900000000, 0.0025202700000000, 0.0008484600000000 ] - [ 0.0009386800000000, -0.0013222300000000, -0.0011167700000000 ] - [ 0.0034941200000000, -0.0209486600000000, -0.0130468100000000 ] - [ 0.0023881100000000, 0.0001556600000000, 0.0008292500000000 ] - [ 0.0004326800000000, 0.0010687400000000, -0.0008267700000000 ] - [ -0.0003344800000000, 0.0002769700000000, -0.0002278400000000 ] - [ -0.0025135100000000, -0.0033746300000000, 0.0086485300000000 ] - [ 0.0036825400000000, -0.0007874300000000, -0.0005789700000000 ] - [ -0.0003916700000000, -0.0009975800000000, 0.0002357700000000 ] - [ 0.0004735500000000, -0.0003238500000000, 0.0006665200000000 ] - [ 0.0024379300000000, 0.0007029000000000, -0.0001739500000000 ] - [ 0.0052995500000000, 0.0222788300000000, 0.0079288700000000 ] - [ -0.0001378000000000, 0.0003591700000000, -0.0003157900000000 ] - [ 0.0007613100000000, -0.0002429400000000, 0.0000810600000000 ] - [ 0.0177508000000000, 0.0096931500000000, -0.0167281800000000 ] - [ 0.0033563500000000, 0.0001573700000000, 0.0017310400000000 ] - [ -0.0005363600000000, 0.0002138900000000, 0.0002599000000000 ] - [ -0.0001328500000000, -0.0003646400000000, -0.0002236200000000 ] - [ -0.0843656300000000, -0.0239728200000000, 0.0089276400000000 ] - [ 0.0019318000000000, 0.0004336300000000, 0.0003189800000000 ] - [ -0.0003755200000000, 0.0002739700000000, -0.0002157900000000 ] - [ -0.0005637700000000, 0.0003109100000000, 0.0000803700000000 ] - [ 0.0003863000000000, -0.0016196100000000, 0.0013361200000000 ] - [ 0.0009136500000000, 0.0011159900000000, -0.0002038200000000 ] - [ 0.0004253000000000, -0.0001867500000000, -0.0007337800000000 ] - [ 0.0006976000000000, -0.0004606000000000, 0.0008257000000000 ] - [ 0.0237928500000000, -0.0020691600000000, -0.0124940000000000 ] - [ -0.0064015800000000, -0.0002368600000000, -0.0026312600000000 ] - [ 0.0012569200000000, 0.0000301900000000, 0.0012063000000000 ] - [ 0.0003959700000000, -0.0000495700000000, 0.0008952900000000 ] - [ -0.0046990500000000, 0.0083813200000000, -0.0017077200000000 ] - [ -0.0069296600000000, -0.0045585600000000, -0.0002866500000000 ] - [ -0.0010405500000000, -0.0011374600000000, 0.0021178500000000 ] - [ -0.0016770700000000, 0.0011341800000000, -0.0027736700000000 ] - [ -0.0036890600000000, -0.0043248100000000, 0.0003057300000000 ] - [ -0.0072589800000000, 0.0028480500000000, -0.0006929100000000 ] - [ 0.0007646800000000, -0.0008866900000000, 0.0034017600000000 ] - [ -0.0004986600000000, 0.0015243300000000, -0.0028933200000000 ] - [ 0.0039042400000000, -0.0005109400000000, -0.0007779100000000 ] - [ -0.0014903500000000, -0.0003242400000000, -0.0004192700000000 ] - [ -0.0007166200000000, -0.0006025100000000, 0.0012915000000000 ] - [ 0.0023074700000000, 0.0027065300000000, -0.0010910500000000 ] - [ 0.0003866300000000, 0.0008143600000000, 0.0019232200000000 ] - [ -0.0006329800000000, -0.0010853000000000, -0.0013150500000000 ] - [ -0.0031945600000000, 0.0030679000000000, -0.0059488100000000 ] - [ -0.0062326100000000, -0.0076720300000000, 0.0032539000000000 ] - [ -0.0005974500000000, 0.0002648000000000, -0.0000082300000000 ] - [ 0.0009169000000000, 0.0001985400000000, -0.0002918800000000 ] - [ 0.0497041700000000, 0.0177660100000000, 0.0140380100000000 ] - [ -0.0046673800000000, -0.0002766100000000, 0.0002629900000000 ]- atom: 49 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ -0.0027331500000000, -0.0092908500000000, -0.0071243000000000 ] - [ -0.0024895100000000, -0.0000205200000000, 0.0008933400000000 ] - [ 0.0005571400000000, 0.0000594900000000, -0.0000861300000000 ] - [ 0.0003091100000000, 0.0003838700000000, -0.0011005200000000 ] - [ 0.0025680000000000, 0.0018918400000000, -0.0015206700000000 ] - [ -0.0005058600000000, -0.0007574500000000, -0.0006906900000000 ] - [ -0.0010212400000000, -0.0002212400000000, 0.0014049200000000 ] - [ -0.0003606800000000, 0.0006633200000000, -0.0006519800000000 ] - [ -0.0082231600000000, 0.0118767100000000, 0.0068968300000000 ] - [ -0.0013474400000000, -0.0001855700000000, -0.0001996000000000 ] - [ -0.0006351600000000, -0.0000744600000000, -0.0006685200000000 ] - [ -0.0003125200000000, -0.0002926900000000, 0.0001913800000000 ] - [ -0.0013078800000000, 0.0008752300000000, -0.0003317400000000 ] - [ 0.0008846200000000, -0.0023478000000000, 0.0004013700000000 ] - [ 0.0017418700000000, 0.0005101800000000, 0.0011577900000000 ] - [ -0.0001011200000000, 0.0000155300000000, -0.0000397400000000 ] - [ -0.0024269600000000, -0.0043537800000000, 0.0011578600000000 ] - [ -0.0017906700000000, 0.0002000100000000, -0.0011254500000000 ] - [ -0.0000671200000000, 0.0014026800000000, 0.0026287400000000 ] - [ -0.0000251100000000, -0.0013489100000000, -0.0026999300000000 ] - [ 0.0014991400000000, 0.0005279600000000, -0.0000850200000000 ] - [ 0.0006153800000000, 0.0003132300000000, 0.0000184700000000 ] - [ 0.0002332300000000, 0.0005958000000000, 0.0012634800000000 ] - [ -0.0015964900000000, 0.0005938700000000, -0.0010045100000000 ] - [ -0.0005673600000000, -0.0010121500000000, -0.0000651200000000 ] - [ 0.0078534400000000, -0.0013478200000000, -0.0058868600000000 ] - [ 0.0005219700000000, -0.0007338500000000, 0.0000024500000000 ] - [ -0.0003467000000000, -0.0008378900000000, 0.0000112500000000 ] - [ -0.0002128700000000, -0.0022939300000000, 0.0031944400000000 ] - [ -0.0006308400000000, 0.0021720900000000, -0.0017821400000000 ] - [ -0.0005104900000000, -0.0008972700000000, -0.0009882500000000 ] - [ -0.0008529300000000, 0.0029549000000000, 0.0009770900000000 ] - [ -0.0033347800000000, 0.0220068300000000, 0.0138498300000000 ] - [ -0.0022842600000000, 0.0010952000000000, 0.0001248200000000 ] - [ -0.0005219100000000, 0.0001910500000000, -0.0001297400000000 ] - [ 0.0002448000000000, 0.0009812600000000, -0.0007290600000000 ] - [ 0.0023340400000000, 0.0021307400000000, -0.0096398100000000 ] - [ -0.0037930300000000, -0.0004713100000000, -0.0003754700000000 ] - [ 0.0004844700000000, -0.0002564800000000, 0.0007205500000000 ] - [ -0.0003823800000000, -0.0009313000000000, 0.0002904000000000 ] - [ -0.0031812900000000, -0.0006983500000000, 0.0003288400000000 ] - [ -0.0060205600000000, -0.0225023100000000, -0.0078193100000000 ] - [ 0.0008768200000000, -0.0003500000000000, 0.0001557200000000 ] - [ -0.0000208700000000, 0.0002522300000000, -0.0002409300000000 ] - [ -0.0172854700000000, -0.0098393400000000, 0.0168885200000000 ] - [ -0.0025899300000000, -0.0001753100000000, -0.0018514900000000 ] - [ -0.0002041800000000, -0.0002189100000000, -0.0001003600000000 ] - [ -0.0006087700000000, 0.0003600700000000, 0.0003832100000000 ] - [ 0.0847458500000000, 0.0235260000000000, -0.0101655400000000 ] - [ -0.0009752200000000, 0.0001586100000000, -0.0002316200000000 ] - [ -0.0005786200000000, 0.0003257200000000, 0.0001226100000000 ] - [ -0.0003912100000000, 0.0002881600000000, -0.0001726600000000 ] - [ -0.0013379700000000, 0.0010035500000000, -0.0014226900000000 ] - [ -0.0018666200000000, -0.0017227500000000, 0.0001008600000000 ] - [ 0.0005293000000000, -0.0004099800000000, 0.0008275300000000 ] - [ 0.0002575100000000, -0.0001357200000000, -0.0007338400000000 ] - [ -0.0252086300000000, 0.0019393600000000, 0.0107741700000000 ] - [ 0.0047653700000000, -0.0000463300000000, 0.0007396200000000 ] - [ 0.0003714000000000, -0.0003058400000000, 0.0006725500000000 ] - [ 0.0012379700000000, -0.0002247100000000, 0.0009823300000000 ] - [ 0.0063512400000000, -0.0081273600000000, 0.0036125500000000 ] - [ 0.0085148900000000, 0.0048049800000000, 0.0021787300000000 ] - [ -0.0005859900000000, 0.0014048400000000, -0.0039864200000000 ] - [ 0.0000427000000000, -0.0008659600000000, 0.0009007300000000 ] - [ 0.0033820500000000, 0.0047694700000000, 0.0004540000000000 ] - [ 0.0069385400000000, -0.0024147100000000, 0.0014801900000000 ] - [ -0.0004364900000000, 0.0013351500000000, -0.0042009400000000 ] - [ 0.0008243900000000, -0.0010905700000000, 0.0020965000000000 ] - [ -0.0035669100000000, 0.0000611500000000, -0.0000047000000000 ] - [ 0.0018194200000000, -0.0001192500000000, -0.0003664800000000 ] - [ 0.0003802400000000, 0.0001666800000000, -0.0005037600000000 ] - [ -0.0026311700000000, -0.0030633000000000, 0.0018637300000000 ] - [ -0.0006071500000000, -0.0013320500000000, -0.0017897500000000 ] - [ 0.0004138300000000, 0.0005708000000000, 0.0014522700000000 ] - [ 0.0034663000000000, -0.0035601500000000, 0.0057163500000000 ] - [ 0.0064686600000000, 0.0071979300000000, -0.0033790400000000 ] - [ 0.0008162800000000, 0.0002425700000000, -0.0001298400000000 ] - [ -0.0006966500000000, 0.0003081400000000, 0.0001519100000000 ] - [ -0.0493145500000000, -0.0160831400000000, -0.0129292400000000 ] - [ 0.0044399000000000, 0.0008041500000000, -0.0001140400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0143327500000000, 0.0165898500000000, 0.0152828500000000 ] - [ -0.0044018900000000, -0.0021530500000000, 0.0017157800000000 ] - [ -0.0001300500000000, 0.0014684500000000, 0.0000166400000000 ] - [ -0.0001694300000000, 0.0014076200000000, 0.0001632200000000 ] - [ 0.0013186000000000, 0.0035973600000000, -0.0020991400000000 ] - [ 0.0014976600000000, 0.0010405300000000, -0.0011706000000000 ] - [ 0.0003936400000000, -0.0010506100000000, 0.0004023900000000 ] - [ -0.0000727200000000, -0.0014711600000000, -0.0020521600000000 ] - [ -0.0226849500000000, 0.0184113800000000, 0.0100055400000000 ] - [ 0.0039494600000000, -0.0016404800000000, 0.0005855200000000 ] - [ 0.0006466600000000, 0.0009444000000000, 0.0004348900000000 ] - [ 0.0003100300000000, 0.0011642000000000, 0.0005829500000000 ] - [ -0.0016275400000000, 0.0015932100000000, -0.0007542500000000 ] - [ -0.0011814100000000, 0.0043310400000000, -0.0016026800000000 ] - [ -0.0012758500000000, -0.0021036000000000, -0.0011680000000000 ] - [ -0.0000132400000000, -0.0006409000000000, 0.0005895000000000 ] - [ 0.0040649500000000, 0.0062005600000000, -0.0032756000000000 ] - [ -0.0026632000000000, 0.0006130800000000, -0.0022879500000000 ] - [ -0.0007720100000000, 0.0025525500000000, 0.0031743100000000 ] - [ 0.0030085700000000, 0.0020563900000000, 0.0047391000000000 ] - [ 0.0007175500000000, 0.0019434900000000, -0.0016746000000000 ] - [ 0.0008863900000000, 0.0014947000000000, -0.0005159800000000 ] - [ -0.0011574100000000, -0.0010136100000000, 0.0032803500000000 ] - [ -0.0007451000000000, -0.0019590300000000, 0.0018165900000000 ] - [ 0.0003599200000000, -0.0042862200000000, 0.0019776500000000 ] - [ 0.0029763100000000, -0.0119631600000000, 0.0076906900000000 ] - [ 0.0001777600000000, 0.0025805700000000, 0.0015246300000000 ] - [ 0.0001601000000000, 0.0013402900000000, 0.0010487300000000 ] - [ -0.0001962900000000, -0.0005605700000000, 0.0017202100000000 ] - [ 0.0004237700000000, -0.0004610400000000, 0.0008586900000000 ] - [ 0.0014883400000000, 0.0052649600000000, 0.0019635300000000 ] - [ -0.0018047700000000, 0.0056707700000000, 0.0021363500000000 ] - [ -0.0109932300000000, 0.0180421400000000, 0.0145525600000000 ] - [ 0.0036050800000000, -0.0016799800000000, 0.0007952900000000 ] - [ 0.0013500200000000, 0.0025248900000000, -0.0008675000000000 ] - [ 0.0008390700000000, 0.0022192700000000, -0.0005786800000000 ] - [ 0.0005956400000000, -0.0069491600000000, -0.0064669900000000 ] - [ 0.0005082000000000, -0.0027249400000000, -0.0001093200000000 ] - [ 0.0010397900000000, 0.0014324800000000, 0.0007839500000000 ] - [ 0.0011715700000000, 0.0012955700000000, 0.0008939900000000 ] - [ -0.0032805200000000, -0.0017347800000000, -0.0003759500000000 ] - [ 0.0250541800000000, 0.0270944300000000, 0.0106476700000000 ] - [ -0.0007698400000000, 0.0018200700000000, -0.0003013900000000 ] - [ -0.0003016800000000, 0.0013157100000000, -0.0001066900000000 ] - [ -0.0008650900000000, -0.0067316900000000, -0.0016938700000000 ] - [ -0.0001944700000000, -0.0030291000000000, 0.0002062300000000 ] - [ -0.0013784100000000, 0.0020928400000000, 0.0005060600000000 ] - [ -0.0013419000000000, 0.0020805600000000, 0.0007022800000000 ] - [ -0.0224704700000000, -0.2792403600000000, -0.2127223300000000 ] - [ 0.0006147900000000, -0.0025383300000000, -0.0015625800000000 ] - [ -0.0004505700000000, 0.0019467200000000, -0.0005467300000000 ] - [ -0.0004882800000000, 0.0019855100000000, -0.0002400300000000 ] - [ -0.0017836600000000, -0.0016875300000000, -0.0040621800000000 ] - [ 0.0009383200000000, -0.0017729600000000, -0.0027424700000000 ] - [ 0.0003652900000000, 0.0003954600000000, 0.0006362100000000 ] - [ 0.0006389500000000, 0.0006566600000000, 0.0005818300000000 ] - [ 0.0004297900000000, 0.0205473800000000, -0.0016271900000000 ] - [ -0.0009066600000000, 0.0062505300000000, -0.0020016900000000 ] - [ 0.0010087100000000, -0.0047904100000000, 0.0018048600000000 ] - [ 0.0009899000000000, -0.0046388000000000, 0.0007380000000000 ] - [ 0.0106703200000000, -0.0106122200000000, 0.0074965400000000 ] - [ -0.0146320900000000, -0.0088446000000000, 0.0027797300000000 ] - [ -0.0016190000000000, -0.0018318800000000, 0.0038065600000000 ] - [ -0.0004349400000000, -0.0017473600000000, 0.0005304400000000 ] - [ -0.0115843500000000, -0.0082525800000000, 0.0036317500000000 ] - [ 0.0138494500000000, -0.0034085000000000, 0.0025262100000000 ] - [ -0.0001549600000000, -0.0013369100000000, -0.0048751800000000 ] - [ -0.0009817000000000, -0.0003937500000000, -0.0041353300000000 ] - [ 0.0012800800000000, -0.0070508400000000, 0.0016653600000000 ] - [ 0.0005119400000000, -0.0038491300000000, 0.0001455600000000 ] - [ -0.0005318000000000, 0.0040041300000000, -0.0027291800000000 ] - [ 0.0000361900000000, 0.0132155200000000, 0.0019504800000000 ] - [ -0.0007562000000000, -0.0046839400000000, -0.0030145100000000 ] - [ -0.0011961600000000, -0.0047123600000000, -0.0028009300000000 ] - [ 0.0001100100000000, 0.0072433700000000, 0.0022109800000000 ] - [ 0.0007512900000000, 0.0055706500000000, 0.0004669500000000 ] - [ -0.0005477500000000, -0.0032083800000000, -0.0004638000000000 ] - [ -0.0001755800000000, -0.0043586900000000, -0.0010760600000000 ] - [ 0.0140646100000000, 0.2023787200000000, 0.1498082200000000 ] - [ -0.0004004400000000, 0.0067345600000000, 0.0001237600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0150746000000000, -0.0160683000000000, -0.0136860800000000 ] - [ 0.0035209400000000, 0.0025354500000000, -0.0003346100000000 ] - [ 0.0010035300000000, -0.0010722700000000, -0.0013982200000000 ] - [ 0.0010421000000000, -0.0010096700000000, -0.0015476100000000 ] - [ -0.0004466000000000, -0.0040135600000000, 0.0007304600000000 ] - [ -0.0006294700000000, -0.0014376200000000, -0.0002036400000000 ] - [ -0.0012681000000000, 0.0006549700000000, 0.0009726400000000 ] - [ -0.0008192400000000, 0.0010917100000000, 0.0034116200000000 ] - [ 0.0232123500000000, -0.0185893100000000, -0.0093055000000000 ] - [ -0.0032095400000000, 0.0012477200000000, -0.0000453400000000 ] - [ -0.0013922000000000, -0.0013251800000000, -0.0009805900000000 ] - [ -0.0010514300000000, -0.0015471100000000, -0.0011276100000000 ] - [ 0.0008890700000000, -0.0012107900000000, 0.0002181200000000 ] - [ 0.0004427500000000, -0.0039768600000000, 0.0010753500000000 ] - [ 0.0020259800000000, 0.0024860100000000, 0.0017075500000000 ] - [ 0.0007516100000000, 0.0010222400000000, -0.0000556100000000 ] - [ -0.0058864200000000, -0.0068969600000000, 0.0032571700000000 ] - [ 0.0007700800000000, -0.0014051500000000, 0.0022812900000000 ] - [ 0.0026811200000000, -0.0033587900000000, -0.0031952600000000 ] - [ -0.0011308500000000, -0.0028647900000000, -0.0047827200000000 ] - [ 0.0011792300000000, -0.0011617400000000, 0.0016971300000000 ] - [ 0.0010078100000000, -0.0007101300000000, 0.0005280500000000 ] - [ -0.0007352900000000, 0.0017896800000000, -0.0033130000000000 ] - [ -0.0011508800000000, 0.0027434200000000, -0.0018367400000000 ] - [ -0.0002713500000000, 0.0026833200000000, -0.0021348300000000 ] - [ -0.0029002100000000, 0.0104954100000000, -0.0077886200000000 ] - [ -0.0002687200000000, -0.0042177900000000, -0.0013900000000000 ] - [ -0.0002505400000000, -0.0029671800000000, -0.0009098800000000 ] - [ 0.0001104700000000, 0.0022172600000000, -0.0016056600000000 ] - [ -0.0005336700000000, 0.0021259200000000, -0.0007378400000000 ] - [ -0.0014028900000000, -0.0036511900000000, -0.0021112500000000 ] - [ 0.0018888400000000, -0.0040401300000000, -0.0022797800000000 ] - [ 0.0114256400000000, -0.0171388000000000, -0.0139921100000000 ] - [ -0.0035544500000000, 0.0029603300000000, 0.0001563600000000 ] - [ -0.0014398400000000, -0.0012704200000000, -0.0000902400000000 ] - [ -0.0009320100000000, -0.0009682800000000, -0.0003793600000000 ] - [ -0.0007736200000000, 0.0057964200000000, 0.0053993000000000 ] - [ -0.0005763300000000, 0.0014795700000000, -0.0008478000000000 ] - [ -0.0009535400000000, -0.0026945500000000, 0.0001737700000000 ] - [ -0.0010862800000000, -0.0025575100000000, 0.0000625500000000 ] - [ 0.0025626400000000, 0.0017559600000000, 0.0005422200000000 ] - [ -0.0263947300000000, -0.0277371400000000, -0.0107904300000000 ] - [ 0.0015132600000000, -0.0018201900000000, 0.0001408600000000 ] - [ 0.0010432800000000, -0.0013131700000000, -0.0000529600000000 ] - [ 0.0017695700000000, 0.0068425400000000, 0.0014307900000000 ] - [ 0.0009061400000000, 0.0030261300000000, -0.0003610900000000 ] - [ 0.0006433200000000, -0.0021058800000000, -0.0003472500000000 ] - [ 0.0006057200000000, -0.0020928800000000, -0.0005438700000000 ] - [ 0.0248314500000000, 0.2874741000000000, 0.2224799800000000 ] - [ 0.0003377600000000, 0.0031477000000000, 0.0016687000000000 ] - [ -0.0005032300000000, -0.0013531400000000, 0.0004554700000000 ] - [ -0.0004662500000000, -0.0013933200000000, 0.0001465600000000 ] - [ 0.0008372400000000, 0.0011170700000000, 0.0040269900000000 ] - [ -0.0019024400000000, 0.0012066600000000, 0.0026904800000000 ] - [ 0.0005901400000000, -0.0009975200000000, -0.0005424800000000 ] - [ 0.0003152900000000, -0.0012556700000000, -0.0004918600000000 ] - [ -0.0021508400000000, -0.0208115600000000, 0.0003219700000000 ] - [ -0.0007130400000000, -0.0065030300000000, 0.0001130900000000 ] - [ 0.0006215600000000, 0.0045298600000000, 0.0000661200000000 ] - [ 0.0006418800000000, 0.0043786500000000, 0.0011424000000000 ] - [ -0.0091157300000000, 0.0109578600000000, -0.0056803800000000 ] - [ 0.0163917200000000, 0.0091867900000000, -0.0009279900000000 ] - [ -0.0000099400000000, 0.0021236600000000, -0.0056841200000000 ] - [ -0.0011918000000000, 0.0020313500000000, -0.0024106700000000 ] - [ 0.0113076100000000, 0.0087557600000000, -0.0028574600000000 ] - [ -0.0142101500000000, 0.0038814400000000, -0.0017368800000000 ] - [ 0.0004837700000000, 0.0017619700000000, 0.0041255900000000 ] - [ 0.0013205000000000, 0.0008013300000000, 0.0033887700000000 ] - [ -0.0009592600000000, 0.0066471200000000, -0.0024688800000000 ] - [ -0.0001815800000000, 0.0034203800000000, -0.0009360600000000 ] - [ 0.0002046900000000, -0.0044475600000000, 0.0035443200000000 ] - [ -0.0003783300000000, -0.0136361500000000, -0.0011641600000000 ] - [ 0.0005365700000000, 0.0041845500000000, 0.0031521200000000 ] - [ 0.0009785700000000, 0.0042140700000000, 0.0029463600000000 ] - [ 0.0002347300000000, -0.0078863500000000, -0.0023863500000000 ] - [ -0.0005953200000000, -0.0062069100000000, -0.0006098700000000 ] - [ 0.0007668200000000, 0.0037318800000000, 0.0003274600000000 ] - [ 0.0003965600000000, 0.0048884900000000, 0.0009456600000000 ] - [ -0.0154677400000000, -0.2094126900000000, -0.1592676100000000 ] - [ 0.0001861600000000, -0.0062675100000000, 0.0000129400000000 ]- atom: 49 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ 0.0128034800000000, 0.0144586500000000, 0.0058421800000000 ] - [ -0.0044542500000000, -0.0007318700000000, 0.0018038600000000 ] - [ 0.0001355800000000, 0.0003468300000000, 0.0003870700000000 ] - [ 0.0008376900000000, -0.0001894100000000, -0.0005252600000000 ] - [ 0.0024497100000000, 0.0039153700000000, -0.0029127000000000 ] - [ 0.0002871500000000, -0.0001578500000000, -0.0010070700000000 ] - [ -0.0018273800000000, 0.0000503400000000, 0.0019076100000000 ] - [ 0.0042571500000000, -0.0058505800000000, -0.0002226400000000 ] - [ -0.0182273200000000, 0.0180925800000000, 0.0052822000000000 ] - [ 0.0023139800000000, -0.0003874900000000, -0.0001486100000000 ] - [ -0.0003693100000000, -0.0004699900000000, -0.0000551900000000 ] - [ -0.0002569100000000, 0.0001266900000000, 0.0007688000000000 ] - [ -0.0012549800000000, 0.0008556800000000, -0.0008573000000000 ] - [ 0.0004250800000000, 0.0009259000000000, -0.0007613100000000 ] - [ -0.0029949100000000, -0.0054516200000000, 0.0014488300000000 ] - [ 0.0016282800000000, 0.0005655800000000, 0.0013526600000000 ] - [ -0.0019628400000000, -0.0022836200000000, -0.0045743900000000 ] - [ -0.0020956900000000, 0.0004474100000000, -0.0030709400000000 ] - [ -0.0012737400000000, 0.0030016000000000, 0.0049076900000000 ] - [ 0.0015633200000000, -0.0001374100000000, 0.0012088500000000 ] - [ 0.0010343700000000, 0.0009645900000000, -0.0014711500000000 ] - [ 0.0007594500000000, 0.0006562500000000, -0.0002063800000000 ] - [ -0.0009431200000000, 0.0019507400000000, 0.0064482100000000 ] - [ -0.0002756200000000, -0.0019865700000000, 0.0074206300000000 ] - [ -0.0003415400000000, -0.0025151300000000, 0.0018507400000000 ] - [ 0.0132099700000000, -0.0010554300000000, 0.0362699600000000 ] - [ 0.0004305200000000, 0.0004370000000000, 0.0002689400000000 ] - [ -0.0001490700000000, -0.0002367700000000, 0.0002684900000000 ] - [ -0.0009516800000000, -0.0041416900000000, 0.0048991600000000 ] - [ 0.0031397700000000, -0.0032077400000000, 0.0022613800000000 ] - [ 0.0011841900000000, 0.0034440100000000, 0.0001114100000000 ] - [ -0.0017488100000000, 0.0048872900000000, 0.0019467900000000 ] - [ -0.0154023700000000, 0.0376564000000000, 0.0102640700000000 ] - [ 0.0006861300000000, -0.0000062100000000, 0.0002981700000000 ] - [ -0.0001677400000000, 0.0008469300000000, -0.0004168800000000 ] - [ 0.0006041900000000, 0.0005399900000000, -0.0008089400000000 ] - [ 0.0175304700000000, -0.0150115100000000, 0.0205578800000000 ] - [ -0.0057091800000000, -0.0011168900000000, 0.0012530300000000 ] - [ 0.0005550000000000, 0.0003166800000000, 0.0009224900000000 ] - [ 0.0004477300000000, -0.0001202500000000, 0.0008338400000000 ] - [ -0.0042518600000000, -0.0013987000000000, -0.0006015000000000 ] - [ 0.0048992900000000, -0.0002405500000000, -0.0082560600000000 ] - [ 0.0004065200000000, -0.0006603300000000, -0.0002688600000000 ] - [ -0.0000055300000000, 0.0006183800000000, -0.0001666200000000 ] - [ -0.0313804000000000, -0.0176461100000000, 0.0205593600000000 ] - [ 0.0032872100000000, 0.0003529100000000, -0.0014322800000000 ] - [ -0.0005109000000000, 0.0004258500000000, 0.0002974100000000 ] - [ -0.0009240900000000, 0.0010115500000000, 0.0007791000000000 ] - [ 0.0539101000000000, -0.1725630800000000, -0.3215698100000000 ] - [ -0.0000317000000000, -0.0011674600000000, -0.0014792800000000 ] - [ -0.0006746800000000, 0.0007448400000000, 0.0000872000000000 ] - [ -0.0003250500000000, 0.0004618800000000, 0.0003714200000000 ] - [ 0.0002608700000000, -0.0031010200000000, -0.0069921700000000 ] - [ -0.0013163300000000, -0.0033795200000000, -0.0024860700000000 ] - [ -0.0001673600000000, -0.0008595200000000, 0.0017326600000000 ] - [ 0.0010341800000000, -0.0006737700000000, 0.0012116000000000 ] - [ -0.0220456200000000, 0.0058783500000000, 0.0541228600000000 ] - [ 0.0015197100000000, -0.0008287500000000, -0.0045454700000000 ] - [ 0.0010132800000000, -0.0014081000000000, 0.0012824000000000 ] - [ 0.0005925200000000, -0.0015520600000000, 0.0002528000000000 ] - [ 0.0125158600000000, -0.0133614500000000, 0.0120379700000000 ] - [ -0.0034833500000000, -0.0016136900000000, 0.0028290400000000 ] - [ 0.0028206400000000, 0.0036802100000000, 0.0000980000000000 ] - [ -0.0048860000000000, 0.0010944500000000, 0.0005778900000000 ] - [ -0.0081060900000000, -0.0060027000000000, 0.0116086600000000 ] - [ 0.0130751400000000, -0.0038010800000000, 0.0036049900000000 ] - [ 0.0001091800000000, 0.0014862900000000, -0.0072954000000000 ] - [ -0.0006129400000000, 0.0019967400000000, -0.0026374200000000 ] - [ -0.0017004500000000, -0.0028852500000000, 0.0021919600000000 ] - [ 0.0011867600000000, -0.0012716800000000, 0.0000287400000000 ] - [ -0.0001938300000000, -0.0000847500000000, -0.0064235900000000 ] - [ -0.0024623500000000, 0.0260494600000000, -0.0115883300000000 ] - [ -0.0006231100000000, -0.0025138700000000, -0.0035521000000000 ] - [ -0.0009167300000000, -0.0015610100000000, -0.0021267000000000 ] - [ -0.0166794500000000, 0.0111426500000000, 0.0082887100000000 ] - [ 0.0119097400000000, 0.0147937400000000, -0.0038636600000000 ] - [ 0.0005289400000000, -0.0007073800000000, -0.0002129900000000 ] - [ -0.0006931100000000, -0.0001321500000000, -0.0003436000000000 ] - [ -0.0154872500000000, 0.1158191000000000, 0.1601680400000000 ] - [ 0.0025314800000000, 0.0044290900000000, -0.0000350700000000 ]- atom: 49 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ -0.0134942300000000, -0.0138971700000000, -0.0043869100000000 ] - [ 0.0035507500000000, 0.0011181000000000, -0.0004198400000000 ] - [ 0.0007444800000000, 0.0000437800000000, -0.0017653000000000 ] - [ 0.0000339500000000, 0.0005858700000000, -0.0008434400000000 ] - [ -0.0015907600000000, -0.0043013900000000, 0.0015332900000000 ] - [ 0.0005997800000000, -0.0002280200000000, -0.0003777300000000 ] - [ 0.0009482500000000, -0.0004412600000000, -0.0005186000000000 ] - [ -0.0051215100000000, 0.0054442400000000, 0.0016104500000000 ] - [ 0.0187681700000000, -0.0181906100000000, -0.0046873900000000 ] - [ -0.0015551300000000, 0.0000009000000000, 0.0006810200000000 ] - [ -0.0003624000000000, 0.0000898400000000, -0.0004749800000000 ] - [ -0.0004922200000000, -0.0005141600000000, -0.0013037300000000 ] - [ 0.0005066700000000, -0.0004658400000000, 0.0003166400000000 ] - [ -0.0011805100000000, -0.0004878500000000, 0.0002027100000000 ] - [ 0.0037287400000000, 0.0058349900000000, -0.0009165000000000 ] - [ -0.0008757300000000, -0.0001789600000000, -0.0008050100000000 ] - [ 0.0000583400000000, 0.0014919900000000, 0.0045466800000000 ] - [ 0.0001905000000000, -0.0012261600000000, 0.0030363900000000 ] - [ 0.0031691800000000, -0.0037841700000000, -0.0048826100000000 ] - [ 0.0003577200000000, -0.0006206700000000, -0.0011317000000000 ] - [ 0.0008561000000000, -0.0001689400000000, 0.0014680200000000 ] - [ 0.0011343200000000, 0.0001351600000000, 0.0002115700000000 ] - [ -0.0009465300000000, -0.0011561500000000, -0.0064060700000000 ] - [ -0.0016207800000000, 0.0027707900000000, -0.0074183300000000 ] - [ 0.0004374100000000, 0.0008699700000000, -0.0019726100000000 ] - [ -0.0134605500000000, -0.0007270800000000, -0.0368207600000000 ] - [ -0.0005217100000000, -0.0020397100000000, -0.0001164500000000 ] - [ 0.0000611500000000, -0.0013738400000000, -0.0001204900000000 ] - [ 0.0008562700000000, 0.0057072700000000, -0.0047171600000000 ] - [ -0.0032062200000000, 0.0047914700000000, -0.0020931700000000 ] - [ -0.0010862700000000, -0.0017945500000000, -0.0002511900000000 ] - [ 0.0018232900000000, -0.0032220400000000, -0.0020717400000000 ] - [ 0.0156486400000000, -0.0368865300000000, -0.0093935000000000 ] - [ -0.0005475700000000, 0.0012409000000000, 0.0006596800000000 ] - [ 0.0000780200000000, 0.0004153100000000, -0.0005367800000000 ] - [ -0.0006878500000000, 0.0007253000000000, -0.0001478300000000 ] - [ -0.0173857700000000, 0.0135259100000000, -0.0212086700000000 ] - [ 0.0055525200000000, -0.0001533800000000, -0.0022037800000000 ] - [ -0.0004568300000000, -0.0015612000000000, 0.0000353600000000 ] - [ -0.0003523500000000, -0.0011274100000000, 0.0001257500000000 ] - [ 0.0035065100000000, 0.0013998400000000, 0.0007578700000000 ] - [ -0.0053256100000000, 0.0006641900000000, 0.0085242400000000 ] - [ 0.0003293300000000, 0.0006745200000000, 0.0001125700000000 ] - [ 0.0007411000000000, -0.0006016200000000, 0.0000080500000000 ] - [ 0.0314693800000000, 0.0173542300000000, -0.0202837200000000 ] - [ -0.0025492600000000, -0.0003694600000000, 0.0012580300000000 ] - [ -0.0002333700000000, -0.0004229000000000, -0.0001361600000000 ] - [ 0.0001773700000000, -0.0010071900000000, -0.0006155300000000 ] - [ -0.0496259500000000, 0.1765207200000000, 0.3183922700000000 ] - [ 0.0009874000000000, 0.0017470700000000, 0.0015545600000000 ] - [ -0.0002799200000000, -0.0001413300000000, -0.0001788000000000 ] - [ -0.0006301900000000, 0.0001418500000000, -0.0004614800000000 ] - [ -0.0012266900000000, 0.0024939800000000, 0.0068661200000000 ] - [ 0.0003708400000000, 0.0027410400000000, 0.0023387100000000 ] - [ 0.0011209800000000, 0.0002673600000000, -0.0016333000000000 ] - [ -0.0000766400000000, 0.0000814500000000, -0.0011145700000000 ] - [ 0.0191814100000000, -0.0042133000000000, -0.0502930200000000 ] - [ -0.0031233100000000, 0.0005679700000000, 0.0026707000000000 ] - [ 0.0006103200000000, 0.0011155100000000, 0.0006041000000000 ] - [ 0.0010464900000000, 0.0012633700000000, 0.0016241600000000 ] - [ -0.0108427300000000, 0.0135893100000000, -0.0101540900000000 ] - [ 0.0048960100000000, 0.0017739700000000, -0.0009135800000000 ] - [ -0.0044383600000000, -0.0034174100000000, -0.0019843200000000 ] - [ 0.0032371400000000, -0.0008321600000000, -0.0024457000000000 ] - [ 0.0077206800000000, 0.0064003100000000, -0.0107340300000000 ] - [ -0.0133365700000000, 0.0042124600000000, -0.0027988900000000 ] - [ 0.0002193400000000, -0.0010217400000000, 0.0064796200000000 ] - [ 0.0009308000000000, -0.0015414900000000, 0.0017986700000000 ] - [ 0.0020668700000000, 0.0023932200000000, -0.0029612100000000 ] - [ -0.0008588700000000, 0.0008124700000000, -0.0008076000000000 ] - [ -0.0001471400000000, -0.0003425700000000, 0.0071587300000000 ] - [ 0.0021373900000000, -0.0264630400000000, 0.0123303000000000 ] - [ 0.0003987300000000, 0.0019734100000000, 0.0036693500000000 ] - [ 0.0006933000000000, 0.0010265600000000, 0.0022512800000000 ] - [ 0.0168365000000000, -0.0115829400000000, -0.0083411900000000 ] - [ -0.0116413400000000, -0.0151718000000000, 0.0037544500000000 ] - [ -0.0003082300000000, 0.0012018200000000, 0.0000703200000000 ] - [ 0.0009077900000000, 0.0006227200000000, 0.0001970600000000 ] - [ 0.0136712100000000, -0.1202857300000000, -0.1631777900000000 ] - [ -0.0027720300000000, -0.0038693500000000, 0.0001785000000000 ]- atom: 57 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ 0.0590837700000000, 0.0317243200000000, 0.0110298800000000 ] - [ -0.0169630000000000, -0.0000392800000000, 0.0019568300000000 ] - [ 0.0034370200000000, -0.0027067000000000, -0.0006479700000000 ] - [ -0.0020938000000000, 0.0024453400000000, -0.0006623400000000 ] - [ 0.0017937500000000, 0.0014019600000000, 0.0001285600000000 ] - [ -0.0012140700000000, -0.0022222000000000, -0.0019837200000000 ] - [ -0.0041247100000000, 0.0018797300000000, 0.0058961400000000 ] - [ 0.0018837700000000, -0.0014893400000000, -0.0021257100000000 ] - [ 0.0223160400000000, -0.0132903400000000, 0.0073883700000000 ] - [ -0.0191333800000000, 0.0006075500000000, 0.0020106000000000 ] - [ 0.0015141500000000, 0.0019479600000000, -0.0007344500000000 ] - [ -0.0034444100000000, -0.0035030000000000, 0.0000517600000000 ] - [ -0.0027565700000000, 0.0014709300000000, 0.0006116500000000 ] - [ 0.0020477000000000, -0.0009715900000000, -0.0011743800000000 ] - [ -0.0003715000000000, 0.0000028000000000, 0.0027281200000000 ] - [ 0.0061356300000000, 0.0019358100000000, 0.0005983600000000 ] - [ -0.0046890800000000, -0.0081790300000000, 0.0220551900000000 ] - [ -0.0078505000000000, 0.0034742700000000, -0.0106079500000000 ] - [ 0.0013587700000000, -0.0011695500000000, 0.0045475200000000 ] - [ 0.0008681400000000, 0.0002468000000000, -0.0032450300000000 ] - [ 0.0024736700000000, 0.0007268900000000, 0.0001399300000000 ] - [ -0.0006561100000000, -0.0003651600000000, 0.0000442100000000 ] - [ 0.0245434700000000, -0.0038436400000000, -0.0169094300000000 ] - [ -0.0054439700000000, 0.0000812600000000, -0.0006966400000000 ] - [ 0.0010393400000000, -0.0038186400000000, 0.0033196300000000 ] - [ 0.0011921600000000, -0.0011584200000000, 0.0071393500000000 ] - [ 0.0009287300000000, -0.0007412700000000, 0.0001986200000000 ] - [ -0.0010258900000000, -0.0011707900000000, -0.0001735900000000 ] - [ -0.0026617900000000, -0.0159662300000000, 0.0140122500000000 ] - [ -0.0065539700000000, 0.0106960100000000, -0.0077391000000000 ] - [ -0.0074427500000000, -0.0174976200000000, -0.0055823100000000 ] - [ -0.0039854000000000, 0.0122227500000000, 0.0061446600000000 ] - [ -0.0007174400000000, 0.0030114600000000, 0.0038165200000000 ] - [ -0.0008568900000000, 0.0002608800000000, -0.0018986500000000 ] - [ -0.0021591400000000, -0.0008862200000000, 0.0015406200000000 ] - [ 0.0013192200000000, 0.0018126000000000, -0.0026081400000000 ] - [ 0.0245619900000000, -0.0143556000000000, 0.0108005300000000 ] - [ -0.0197533900000000, 0.0003978400000000, 0.0016762000000000 ] - [ 0.0032564000000000, 0.0015592700000000, 0.0013680200000000 ] - [ -0.0042129800000000, -0.0038038300000000, -0.0010230500000000 ] - [ -0.0042514800000000, -0.0019286500000000, 0.0019733000000000 ] - [ 0.0083728900000000, 0.0062147200000000, -0.0029037700000000 ] - [ 0.0020336500000000, -0.0015477500000000, 0.0013985300000000 ] - [ -0.0007293000000000, 0.0012608900000000, -0.0014269100000000 ] - [ 0.0528269600000000, 0.0239883300000000, 0.0059224000000000 ] - [ -0.0167475700000000, -0.0005379700000000, 0.0012454400000000 ] - [ 0.0018100300000000, -0.0024022300000000, -0.0015335800000000 ] - [ -0.0023714000000000, 0.0020126300000000, 0.0014292100000000 ] - [ 0.0249247900000000, 0.0016298700000000, -0.0091918700000000 ] - [ -0.0051022800000000, 0.0002102300000000, -0.0005719900000000 ] - [ -0.0000356900000000, 0.0001047700000000, 0.0004547200000000 ] - [ -0.0008985700000000, 0.0001247900000000, -0.0005634000000000 ] - [ -0.0059984400000000, 0.0095942700000000, 0.0102489800000000 ] - [ -0.0081962600000000, -0.0158165300000000, -0.0095419400000000 ] - [ 0.0002455400000000, 0.0005055700000000, 0.0041408700000000 ] - [ -0.0003801800000000, -0.0006806200000000, -0.0052052600000000 ] - [ -0.3058530600000000, -0.0210824700000000, 0.0027089500000000 ] - [ 0.0346575200000000, -0.0041580800000000, 0.0034262500000000 ] - [ -0.0063800300000000, -0.0005430600000000, 0.0002472900000000 ] - [ 0.0078211400000000, 0.0017339100000000, 0.0017461000000000 ] - [ 0.0055045600000000, -0.0046643000000000, -0.0094745800000000 ] - [ -0.0043231800000000, 0.0048300400000000, 0.0143399700000000 ] - [ 0.0037632600000000, 0.0023005500000000, -0.0163595500000000 ] - [ -0.0032248400000000, -0.0034211500000000, 0.0124514500000000 ] - [ 0.0458316600000000, 0.0409566500000000, -0.0332995600000000 ] - [ 0.0488889600000000, -0.0284275400000000, 0.0102443400000000 ] - [ -0.0013685700000000, 0.0128900700000000, -0.0066984100000000 ] - [ 0.0012311900000000, -0.0093176700000000, 0.0050850800000000 ] - [ -0.0037558800000000, -0.0007818000000000, -0.0007123100000000 ] - [ 0.0043037900000000, 0.0012079700000000, -0.0001718400000000 ] - [ -0.0069464200000000, 0.0002427800000000, -0.0063440600000000 ] - [ 0.0002445800000000, 0.0046276400000000, 0.0001324000000000 ] - [ -0.0029342600000000, -0.0082357700000000, -0.0085757800000000 ] - [ 0.0045427200000000, 0.0088606300000000, 0.0121098600000000 ] - [ 0.0455511900000000, -0.0340790200000000, -0.0024092600000000 ] - [ 0.0486183500000000, 0.0441815900000000, -0.0177052800000000 ] - [ 0.0025952800000000, 0.0002710600000000, -0.0007596600000000 ] - [ -0.0027987500000000, 0.0002254700000000, 0.0011082600000000 ] - [ -0.0077722700000000, -0.0140077400000000, -0.0093789600000000 ] - [ 0.0046574200000000, 0.0029299300000000, 0.0010235100000000 ]- atom: 57 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ -0.0558657700000000, -0.0278891500000000, -0.0095309000000000 ] - [ 0.0160839400000000, 0.0003867500000000, -0.0005408000000000 ] - [ -0.0025697300000000, 0.0031108600000000, -0.0007313800000000 ] - [ 0.0029762100000000, -0.0020619800000000, -0.0007205500000000 ] - [ -0.0009193100000000, -0.0018008900000000, -0.0015066900000000 ] - [ 0.0020899800000000, 0.0018309900000000, 0.0006062200000000 ] - [ 0.0032142000000000, -0.0022342900000000, -0.0044382000000000 ] - [ -0.0027596800000000, 0.0011003600000000, 0.0034958400000000 ] - [ -0.0224650200000000, 0.0143049900000000, -0.0075062700000000 ] - [ 0.0199136700000000, -0.0010287400000000, -0.0014846100000000 ] - [ -0.0022620600000000, -0.0023375800000000, 0.0001943900000000 ] - [ 0.0027065500000000, 0.0031300300000000, -0.0005924500000000 ] - [ 0.0020144500000000, -0.0010879800000000, -0.0011516600000000 ] - [ -0.0027956000000000, 0.0013550600000000, 0.0006379900000000 ] - [ 0.0011168100000000, 0.0003841700000000, -0.0021988900000000 ] - [ -0.0053418900000000, -0.0015408500000000, -0.0000481500000000 ] - [ 0.0027665600000000, 0.0073564800000000, -0.0219693600000000 ] - [ 0.0059029700000000, -0.0042695900000000, 0.0105794100000000 ] - [ 0.0005381100000000, 0.0003817700000000, -0.0045497200000000 ] - [ 0.0010236700000000, -0.0010378800000000, 0.0032606000000000 ] - [ -0.0005794200000000, 0.0000585800000000, -0.0001279700000000 ] - [ 0.0025515600000000, 0.0011526100000000, -0.0000331200000000 ] - [ -0.0262306000000000, 0.0045666300000000, 0.0166503100000000 ] - [ 0.0035401900000000, 0.0007029500000000, 0.0006413500000000 ] - [ -0.0009326000000000, 0.0021548700000000, -0.0033965200000000 ] - [ -0.0011270700000000, -0.0004509400000000, -0.0073591600000000 ] - [ -0.0010177000000000, -0.0008830100000000, -0.0000570400000000 ] - [ 0.0009366900000000, -0.0004504800000000, 0.0003182300000000 ] - [ 0.0025887100000000, 0.0176718100000000, -0.0139175000000000 ] - [ 0.0065328500000000, -0.0091154800000000, 0.0079192300000000 ] - [ 0.0075206100000000, 0.0191419500000000, 0.0054169200000000 ] - [ 0.0040381500000000, -0.0105644600000000, -0.0062573600000000 ] - [ 0.0008477400000000, -0.0018045900000000, -0.0028846200000000 ] - [ 0.0009518700000000, 0.0009967200000000, 0.0028663200000000 ] - [ 0.0020602500000000, 0.0021424400000000, -0.0024894700000000 ] - [ -0.0014096600000000, -0.0005548400000000, 0.0016497200000000 ] - [ -0.0237686500000000, 0.0117119700000000, -0.0111327300000000 ] - [ 0.0196539400000000, -0.0016289900000000, -0.0026126100000000 ] - [ -0.0031628000000000, -0.0028110900000000, -0.0004113000000000 ] - [ 0.0043029200000000, 0.0025402800000000, 0.0019778500000000 ] - [ 0.0035182200000000, 0.0019401500000000, -0.0018032000000000 ] - [ -0.0091639100000000, -0.0062417200000000, 0.0030727300000000 ] - [ -0.0012874300000000, 0.0015487800000000, -0.0015542200000000 ] - [ 0.0014687800000000, -0.0012482700000000, 0.0012683200000000 ] - [ -0.0562119200000000, -0.0273629300000000, -0.0062369200000000 ] - [ 0.0175008700000000, 0.0005855900000000, -0.0014209300000000 ] - [ -0.0025466000000000, 0.0023896700000000, 0.0016930100000000 ] - [ 0.0016251300000000, -0.0020105100000000, -0.0012649800000000 ] - [ -0.0240749700000000, -0.0009529400000000, 0.0094416400000000 ] - [ 0.0060665900000000, 0.0004051900000000, 0.0007067200000000 ] - [ -0.0009208000000000, 0.0004930200000000, -0.0005460000000000 ] - [ -0.0000551600000000, 0.0004719100000000, 0.0004700400000000 ] - [ 0.0050650700000000, -0.0101973100000000, -0.0103641300000000 ] - [ 0.0072392800000000, 0.0152034300000000, 0.0094600500000000 ] - [ 0.0007024400000000, -0.0011003500000000, -0.0040475100000000 ] - [ 0.0013356300000000, 0.0000797700000000, 0.0052868000000000 ] - [ 0.3042647200000000, 0.0207820500000000, -0.0043206100000000 ] - [ -0.0362939700000000, 0.0038957900000000, -0.0053105500000000 ] - [ 0.0080145800000000, 0.0002722600000000, 0.0016296600000000 ] - [ -0.0061931500000000, -0.0020062400000000, 0.0001320300000000 ] - [ -0.0038962900000000, 0.0049509500000000, 0.0113486800000000 ] - [ 0.0059756900000000, -0.0045652600000000, -0.0124897500000000 ] - [ -0.0053552100000000, -0.0020357900000000, 0.0144275400000000 ] - [ 0.0015837200000000, 0.0036790700000000, -0.0143198100000000 ] - [ -0.0458032700000000, -0.0401262200000000, 0.0340008800000000 ] - [ -0.0492741300000000, 0.0291959800000000, -0.0096390900000000 ] - [ 0.0017065500000000, -0.0125056600000000, 0.0059402200000000 ] - [ -0.0008957700000000, 0.0097839900000000, -0.0058757500000000 ] - [ 0.0040898600000000, 0.0003461700000000, -0.0000746400000000 ] - [ -0.0039757100000000, -0.0016518100000000, -0.0006155500000000 ] - [ 0.0065323100000000, -0.0006916500000000, 0.0069925200000000 ] - [ -0.0005727500000000, -0.0051018900000000, 0.0007280900000000 ] - [ 0.0027139800000000, 0.0077130000000000, 0.0087018200000000 ] - [ -0.0047633200000000, -0.0093523500000000, -0.0119620500000000 ] - [ -0.0453057200000000, 0.0332205500000000, 0.0023793600000000 ] - [ -0.0488246900000000, -0.0451280600000000, 0.0175817900000000 ] - [ -0.0023700700000000, 0.0002365500000000, 0.0006170700000000 ] - [ 0.0030112500000000, 0.0002899900000000, -0.0012406200000000 ] - [ 0.0075979800000000, 0.0145957000000000, 0.0095915900000000 ] - [ -0.0048928400000000, -0.0024300600000000, -0.0009496100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0321148900000000, 0.0447178000000000, 0.0076448900000000 ] - [ 0.0178280300000000, 0.0125059900000000, -0.0054048000000000 ] - [ 0.0027476200000000, -0.0059030300000000, -0.0011837700000000 ] - [ 0.0037786600000000, -0.0062418500000000, -0.0017027900000000 ] - [ -0.0018212500000000, -0.0050682200000000, -0.0004226600000000 ] - [ -0.0018667400000000, -0.0039779400000000, -0.0005009700000000 ] - [ -0.0013332500000000, 0.0006140000000000, -0.0006848300000000 ] - [ -0.0046959200000000, 0.0048769100000000, 0.0039098200000000 ] - [ -0.0101676200000000, 0.0504889400000000, -0.0154133200000000 ] - [ -0.0142899800000000, 0.0042711900000000, 0.0020260900000000 ] - [ -0.0028696800000000, -0.0061534000000000, -0.0004307800000000 ] - [ -0.0033594100000000, -0.0059095500000000, -0.0007816900000000 ] - [ 0.0030733800000000, -0.0042472000000000, -0.0001727500000000 ] - [ 0.0021169300000000, -0.0048930300000000, 0.0001917700000000 ] - [ 0.0042524000000000, 0.0054792100000000, 0.0013753100000000 ] - [ -0.0010305700000000, 0.0020062300000000, -0.0022167600000000 ] - [ -0.0041980800000000, -0.0042950800000000, 0.0148101400000000 ] - [ 0.0096998500000000, -0.0050913400000000, 0.0123073800000000 ] - [ 0.0015729200000000, -0.0027624400000000, 0.0012527600000000 ] - [ 0.0005341000000000, -0.0029954600000000, 0.0010510000000000 ] - [ 0.0007631800000000, -0.0037098600000000, 0.0012650100000000 ] - [ 0.0010529300000000, -0.0030555600000000, 0.0010176300000000 ] - [ -0.0066977600000000, 0.0267033300000000, 0.0153160700000000 ] - [ -0.0007110600000000, 0.0067418900000000, -0.0002712400000000 ] - [ -0.0024268900000000, 0.0114164000000000, -0.0089646900000000 ] - [ -0.0021609800000000, 0.0072318700000000, -0.0105842100000000 ] - [ -0.0005546200000000, -0.0075386900000000, -0.0026050300000000 ] - [ -0.0003244300000000, -0.0069015100000000, -0.0027229000000000 ] - [ -0.0028769500000000, -0.0110709800000000, 0.0083178100000000 ] - [ 0.0085873400000000, -0.0135200700000000, 0.0090857600000000 ] - [ -0.0044779300000000, -0.0092939700000000, -0.0043658500000000 ] - [ 0.0054080500000000, -0.0121715000000000, -0.0071720700000000 ] - [ 0.0016347300000000, -0.0008138000000000, -0.0021388700000000 ] - [ -0.0038819500000000, 0.0038356500000000, -0.0006952200000000 ] - [ -0.0025829600000000, -0.0034178600000000, -0.0004416500000000 ] - [ -0.0025406900000000, -0.0030163500000000, 0.0006644000000000 ] - [ -0.0091122100000000, 0.0469588800000000, -0.0181648100000000 ] - [ -0.0146579500000000, 0.0042754200000000, 0.0020011100000000 ] - [ -0.0027181900000000, -0.0074695800000000, -0.0010359800000000 ] - [ -0.0028659400000000, -0.0060531600000000, -0.0005242100000000 ] - [ 0.0029050200000000, 0.0030628600000000, -0.0018935700000000 ] - [ -0.0020030700000000, -0.0034304700000000, -0.0047156400000000 ] - [ 0.0025732700000000, -0.0031398200000000, 0.0003280700000000 ] - [ 0.0028529100000000, -0.0042241400000000, 0.0001909300000000 ] - [ 0.0266785200000000, 0.0375209700000000, 0.0025991800000000 ] - [ 0.0194836800000000, 0.0134520600000000, -0.0059748200000000 ] - [ 0.0017585900000000, -0.0056714800000000, -0.0011838200000000 ] - [ 0.0031685300000000, -0.0065630000000000, -0.0017854600000000 ] - [ -0.0015204700000000, 0.0209985600000000, 0.0047191400000000 ] - [ 0.0003810700000000, 0.0066720300000000, -0.0008202100000000 ] - [ -0.0006479500000000, -0.0043575800000000, 0.0013220200000000 ] - [ -0.0005663700000000, -0.0042083000000000, 0.0015441600000000 ] - [ 0.0077678800000000, -0.0110676600000000, -0.0107940100000000 ] - [ -0.0051562600000000, -0.0093310600000000, -0.0048200000000000 ] - [ 0.0017561400000000, -0.0022752300000000, -0.0033396900000000 ] - [ -0.0005208100000000, -0.0021859800000000, -0.0016780700000000 ] - [ -0.0217701700000000, -0.2903334500000000, -0.0084226700000000 ] - [ -0.0048463700000000, -0.0349480900000000, 0.0033977900000000 ] - [ 0.0012282600000000, 0.0156205200000000, 0.0005846800000000 ] - [ -0.0010576000000000, 0.0135940700000000, 0.0006147300000000 ] - [ -0.0039973600000000, 0.0075024400000000, 0.0079000400000000 ] - [ 0.0055074600000000, 0.0085908300000000, 0.0068497500000000 ] - [ -0.0029671900000000, 0.0007925800000000, -0.0059686100000000 ] - [ 0.0027324900000000, 0.0029615900000000, -0.0081676900000000 ] - [ 0.0360638500000000, 0.0254888800000000, -0.0224495100000000 ] - [ -0.0547493400000000, 0.0161172100000000, -0.0020262400000000 ] - [ 0.0011269000000000, 0.0142960000000000, -0.0030674500000000 ] - [ 0.0002131500000000, 0.0156314100000000, -0.0038459000000000 ] - [ -0.0004330500000000, 0.0125718800000000, -0.0004171500000000 ] - [ -0.0007348100000000, 0.0101374300000000, -0.0006745800000000 ] - [ 0.0042752400000000, -0.0129633700000000, 0.0183463800000000 ] - [ 0.0005738100000000, -0.0184104300000000, 0.0014251900000000 ] - [ -0.0002635600000000, 0.0143122600000000, 0.0097949100000000 ] - [ 0.0034962100000000, 0.0114965700000000, 0.0075031400000000 ] - [ -0.0548866500000000, 0.0231447800000000, 0.0076171100000000 ] - [ 0.0371488400000000, 0.0306709400000000, -0.0122824800000000 ] - [ 0.0005712200000000, 0.0098539400000000, 0.0016320900000000 ] - [ 0.0017129400000000, 0.0099850900000000, 0.0000026800000000 ] - [ -0.0012717000000000, 0.0116507600000000, 0.0300882900000000 ] - [ 0.0024747000000000, -0.0095678500000000, 0.0042322200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0306529200000000, -0.0429475600000000, -0.0061803100000000 ] - [ -0.0186136400000000, -0.0120920200000000, 0.0067758700000000 ] - [ -0.0018736400000000, 0.0062959700000000, -0.0001997700000000 ] - [ -0.0029089000000000, 0.0066276800000000, 0.0003229700000000 ] - [ 0.0026869900000000, 0.0046678700000000, -0.0009461500000000 ] - [ 0.0027318400000000, 0.0035783100000000, -0.0008739000000000 ] - [ 0.0004361000000000, -0.0009579200000000, 0.0021321000000000 ] - [ 0.0038202800000000, -0.0052528800000000, -0.0025251900000000 ] - [ 0.0085922900000000, -0.0479820500000000, 0.0144640800000000 ] - [ 0.0150682100000000, -0.0046657300000000, -0.0015072600000000 ] - [ 0.0021247700000000, 0.0057680200000000, -0.0001125500000000 ] - [ 0.0026261300000000, 0.0055249500000000, 0.0002414800000000 ] - [ -0.0038147600000000, 0.0046325000000000, -0.0003626800000000 ] - [ -0.0028475200000000, 0.0052701600000000, -0.0007251800000000 ] - [ -0.0035154400000000, -0.0050796700000000, -0.0008389100000000 ] - [ 0.0018196800000000, -0.0015888600000000, 0.0027878500000000 ] - [ 0.0022781900000000, 0.0035110400000000, -0.0147899400000000 ] - [ -0.0116039800000000, 0.0042852600000000, -0.0123041800000000 ] - [ 0.0003231900000000, 0.0019642800000000, -0.0012605800000000 ] - [ 0.0013556800000000, 0.0021987600000000, -0.0010456400000000 ] - [ 0.0011301000000000, 0.0045005100000000, -0.0012569400000000 ] - [ 0.0008402700000000, 0.0038437800000000, -0.0010125800000000 ] - [ 0.0047903900000000, -0.0260962300000000, -0.0154143400000000 ] - [ -0.0011844300000000, -0.0059477400000000, 0.0002450000000000 ] - [ 0.0025270300000000, -0.0130757600000000, 0.0088576000000000 ] - [ 0.0022299500000000, -0.0088466600000000, 0.0103732900000000 ] - [ 0.0004636400000000, 0.0059150200000000, 0.0027487400000000 ] - [ 0.0002330400000000, 0.0052821900000000, 0.0028626500000000 ] - [ 0.0028041100000000, 0.0126920300000000, -0.0081769800000000 ] - [ -0.0086290400000000, 0.0151002800000000, -0.0089131900000000 ] - [ 0.0045588400000000, 0.0109629100000000, 0.0042208600000000 ] - [ -0.0053201200000000, 0.0138164400000000, 0.0070603000000000 ] - [ -0.0015157800000000, 0.0019996300000000, 0.0030864100000000 ] - [ 0.0039683200000000, -0.0025859000000000, 0.0016596900000000 ] - [ 0.0025008900000000, 0.0046856600000000, -0.0005192800000000 ] - [ 0.0024625500000000, 0.0042796600000000, -0.0016189300000000 ] - [ 0.0113639300000000, -0.0511859700000000, 0.0186514100000000 ] - [ 0.0145452000000000, -0.0055298200000000, -0.0029456500000000 ] - [ 0.0028033200000000, 0.0061994600000000, 0.0019869500000000 ] - [ 0.0029471400000000, 0.0047944800000000, 0.0014847700000000 ] - [ -0.0036428500000000, -0.0030634400000000, 0.0020623300000000 ] - [ 0.0012349900000000, 0.0033819800000000, 0.0048928800000000 ] - [ -0.0018431700000000, 0.0031564100000000, -0.0004846100000000 ] - [ -0.0021226400000000, 0.0042444100000000, -0.0003476200000000 ] - [ -0.0281406000000000, -0.0387884100000000, -0.0028501100000000 ] - [ -0.0188299100000000, -0.0134754900000000, 0.0058288100000000 ] - [ -0.0024969600000000, 0.0056643500000000, 0.0013424400000000 ] - [ -0.0038939300000000, 0.0065532700000000, 0.0019443100000000 ] - [ 0.0024936300000000, -0.0203501400000000, -0.0045842200000000 ] - [ 0.0005721300000000, -0.0060739600000000, 0.0009231200000000 ] - [ -0.0003085300000000, 0.0049547600000000, -0.0014161400000000 ] - [ -0.0003880900000000, 0.0048020100000000, -0.0016301100000000 ] - [ -0.0087548800000000, 0.0104905900000000, 0.0107223400000000 ] - [ 0.0041996900000000, 0.0086879400000000, 0.0047238700000000 ] - [ -0.0007937300000000, 0.0016919300000000, 0.0034023800000000 ] - [ 0.0014742300000000, 0.0016032700000000, 0.0017575400000000 ] - [ 0.0199522500000000, 0.2902131400000000, 0.0067486700000000 ] - [ 0.0032116500000000, 0.0346770600000000, -0.0052744000000000 ] - [ 0.0004122300000000, -0.0158820000000000, 0.0013060500000000 ] - [ 0.0026825400000000, -0.0138573600000000, 0.0012625700000000 ] - [ 0.0056247400000000, -0.0072055300000000, -0.0060661800000000 ] - [ -0.0038824400000000, -0.0083072400000000, -0.0049765500000000 ] - [ 0.0013641500000000, -0.0005718100000000, 0.0040815800000000 ] - [ -0.0043748800000000, -0.0027339700000000, 0.0062687900000000 ] - [ -0.0361320800000000, -0.0249997400000000, 0.0232152500000000 ] - [ 0.0541612700000000, -0.0154984400000000, 0.0026688500000000 ] - [ -0.0008074900000000, -0.0138706700000000, 0.0023082200000000 ] - [ 0.0001371300000000, -0.0151757600000000, 0.0030695800000000 ] - [ 0.0007591900000000, -0.0130026100000000, -0.0003786900000000 ] - [ 0.0010698200000000, -0.0105683100000000, -0.0001108300000000 ] - [ -0.0046395600000000, 0.0125158700000000, -0.0176381700000000 ] - [ -0.0008905400000000, 0.0179246400000000, -0.0006093900000000 ] - [ 0.0000141100000000, -0.0148061300000000, -0.0096312100000000 ] - [ -0.0037019400000000, -0.0120130100000000, -0.0073561000000000 ] - [ 0.0553835300000000, -0.0238569000000000, -0.0076675100000000 ] - [ -0.0372191500000000, -0.0312837800000000, 0.0121258500000000 ] - [ -0.0003540900000000, -0.0093542400000000, -0.0017707900000000 ] - [ -0.0014954200000000, -0.0094760700000000, -0.0001557200000000 ] - [ 0.0011083800000000, -0.0110012400000000, -0.0300270000000000 ] - [ -0.0026946800000000, 0.0100925400000000, -0.0041119200000000 ]- atom: 57 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.0240005200000000, -0.0104827900000000, 0.0127787900000000 ] - [ 0.0009176200000000, -0.0023308800000000, 0.0022020700000000 ] - [ -0.0007094200000000, 0.0016326300000000, -0.0009272900000000 ] - [ 0.0009783900000000, -0.0001225600000000, -0.0010531200000000 ] - [ 0.0000309900000000, -0.0028497100000000, 0.0000552700000000 ] - [ 0.0006093000000000, 0.0006611800000000, -0.0000918700000000 ] - [ 0.0097490000000000, -0.0098937100000000, -0.0167813700000000 ] - [ -0.0059182000000000, 0.0040071000000000, -0.0006369300000000 ] - [ -0.0073644700000000, -0.0050322800000000, 0.0185284900000000 ] - [ 0.0092980200000000, -0.0013245700000000, -0.0010541600000000 ] - [ -0.0016097200000000, -0.0005054600000000, -0.0004051700000000 ] - [ 0.0012692000000000, 0.0013243000000000, -0.0009584900000000 ] - [ 0.0008369100000000, -0.0000332800000000, -0.0004200900000000 ] - [ -0.0014740000000000, -0.0014778300000000, 0.0009314900000000 ] - [ 0.0063462500000000, 0.0038237500000000, -0.0024800600000000 ] - [ -0.0188373800000000, -0.0098820000000000, -0.0125800800000000 ] - [ 0.0047439500000000, 0.0050455600000000, -0.0108947300000000 ] - [ -0.0013670400000000, -0.0009675800000000, -0.0010645600000000 ] - [ 0.0023889900000000, -0.0014017100000000, -0.0040310500000000 ] - [ -0.0006815100000000, -0.0016032500000000, -0.0019382400000000 ] - [ 0.0005082300000000, -0.0000721300000000, 0.0014311900000000 ] - [ 0.0015421000000000, 0.0006173400000000, -0.0001177200000000 ] - [ -0.0322941500000000, 0.0159141700000000, 0.0652076000000000 ] - [ 0.0002212900000000, 0.0013249900000000, -0.0028771700000000 ] - [ -0.0039964500000000, 0.0133607200000000, -0.0202622600000000 ] - [ -0.0031943400000000, 0.0039346300000000, -0.0202331300000000 ] - [ -0.0004607800000000, -0.0014838900000000, -0.0003381400000000 ] - [ 0.0001930000000000, -0.0015373600000000, -0.0007190500000000 ] - [ 0.0020324200000000, 0.0086862000000000, -0.0055228000000000 ] - [ 0.0000953000000000, 0.0000938900000000, 0.0010653800000000 ] - [ 0.0036376300000000, 0.0103074600000000, 0.0031269200000000 ] - [ -0.0015028100000000, 0.0024364700000000, 0.0008433400000000 ] - [ 0.0120571200000000, -0.0156265700000000, -0.0080805600000000 ] - [ -0.0052017200000000, 0.0045360700000000, -0.0006550900000000 ] - [ 0.0015910200000000, -0.0003279500000000, -0.0023125200000000 ] - [ -0.0011635900000000, 0.0005362800000000, -0.0002767500000000 ] - [ -0.0075439200000000, -0.0051454600000000, 0.0213899000000000 ] - [ 0.0078850200000000, -0.0011616300000000, -0.0022833500000000 ] - [ -0.0011228400000000, -0.0019156000000000, 0.0012598300000000 ] - [ 0.0017033400000000, 0.0006178300000000, 0.0014200400000000 ] - [ 0.0045251000000000, 0.0039593200000000, -0.0023019200000000 ] - [ -0.0184459000000000, -0.0199750700000000, -0.0012930300000000 ] - [ 0.0005073100000000, 0.0007634700000000, -0.0014639400000000 ] - [ 0.0008414500000000, -0.0030763600000000, -0.0008219000000000 ] - [ -0.0233398100000000, -0.0112247100000000, 0.0125250000000000 ] - [ 0.0024998300000000, -0.0020313700000000, 0.0019494900000000 ] - [ -0.0014358100000000, 0.0009436500000000, 0.0012827900000000 ] - [ 0.0014395700000000, -0.0016797800000000, 0.0003995200000000 ] - [ -0.0214250700000000, -0.0021053600000000, 0.0481762800000000 ] - [ 0.0018986400000000, -0.0005666300000000, -0.0041214300000000 ] - [ -0.0004767300000000, -0.0003495000000000, 0.0001762400000000 ] - [ -0.0002962100000000, 0.0005594100000000, -0.0004861900000000 ] - [ 0.0000881600000000, 0.0002537100000000, 0.0043539600000000 ] - [ 0.0024180000000000, 0.0092290300000000, 0.0060532200000000 ] - [ 0.0032195100000000, -0.0048056800000000, 0.0005645900000000 ] - [ -0.0006601600000000, -0.0013723300000000, 0.0033207100000000 ] - [ 0.1589516100000000, 0.0039337700000000, -0.2438139000000000 ] - [ -0.0152895600000000, 0.0056601000000000, 0.0003982100000000 ] - [ 0.0039223700000000, 0.0003827600000000, -0.0003101800000000 ] - [ -0.0020946800000000, -0.0008197300000000, 0.0013141800000000 ] - [ -0.0105230700000000, 0.0085721300000000, -0.0005408700000000 ] - [ 0.0149391800000000, 0.0027727800000000, -0.0048347400000000 ] - [ -0.0163694300000000, 0.0033613600000000, 0.0113075300000000 ] - [ 0.0119137300000000, 0.0081901500000000, 0.0005976300000000 ] - [ -0.0331621300000000, -0.0269890300000000, 0.0160081100000000 ] - [ -0.0028991100000000, 0.0066383800000000, -0.0032647200000000 ] - [ -0.0002311900000000, -0.0068884600000000, 0.0055858500000000 ] - [ 0.0014769700000000, 0.0011177500000000, 0.0006055500000000 ] - [ 0.0009325600000000, 0.0020646400000000, -0.0023612000000000 ] - [ -0.0012278900000000, -0.0002170900000000, -0.0001648100000000 ] - [ 0.0191683300000000, 0.0054113100000000, 0.0752979800000000 ] - [ -0.0018782100000000, -0.0158875600000000, 0.0114243100000000 ] - [ -0.0014917300000000, 0.0053160700000000, -0.0044541400000000 ] - [ -0.0019081000000000, -0.0036956300000000, -0.0075042100000000 ] - [ -0.0076086700000000, 0.0097167600000000, -0.0094110400000000 ] - [ -0.0281989700000000, -0.0261328500000000, 0.0078015800000000 ] - [ -0.0012193800000000, 0.0034510200000000, 0.0014242300000000 ] - [ 0.0011787900000000, 0.0000464600000000, 0.0008763400000000 ] - [ 0.0077306600000000, 0.0515950300000000, 0.0517856600000000 ] - [ 0.0023378000000000, -0.0098042900000000, 0.0126746800000000 ]- atom: 57 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ 0.0235980300000000, 0.0113112600000000, -0.0111949000000000 ] - [ -0.0018539300000000, 0.0027028500000000, -0.0007839600000000 ] - [ 0.0015821000000000, -0.0012369200000000, -0.0004476800000000 ] - [ -0.0000972500000000, 0.0005077600000000, -0.0003235000000000 ] - [ 0.0008445900000000, 0.0024660800000000, -0.0014418300000000 ] - [ 0.0002665300000000, -0.0010528000000000, -0.0012928000000000 ] - [ -0.0106361400000000, 0.0095196300000000, 0.0182271100000000 ] - [ 0.0050566200000000, -0.0044216100000000, 0.0020243500000000 ] - [ 0.0084296800000000, 0.0041961100000000, -0.0177424400000000 ] - [ -0.0084936800000000, 0.0009336800000000, 0.0015567800000000 ] - [ 0.0008637500000000, 0.0001152500000000, -0.0001294900000000 ] - [ -0.0020118000000000, -0.0017063200000000, 0.0004226400000000 ] - [ -0.0015812200000000, 0.0004203100000000, -0.0001236600000000 ] - [ 0.0007302400000000, 0.0018750400000000, -0.0014778900000000 ] - [ -0.0055788200000000, -0.0034553300000000, 0.0030254700000000 ] - [ 0.0195010800000000, 0.0101917900000000, 0.0130288600000000 ] - [ -0.0066641400000000, -0.0058525200000000, 0.0108133400000000 ] - [ -0.0005836200000000, 0.0001980700000000, 0.0009688800000000 ] - [ -0.0004944700000000, 0.0006238800000000, 0.0040547400000000 ] - [ 0.0025845300000000, 0.0008245500000000, 0.0019796300000000 ] - [ 0.0013840800000000, 0.0008597800000000, -0.0014278800000000 ] - [ 0.0003515100000000, 0.0001690900000000, 0.0001252500000000 ] - [ 0.0290416000000000, -0.0132090200000000, -0.0586223700000000 ] - [ -0.0021081800000000, -0.0005329000000000, 0.0029035400000000 ] - [ 0.0040544600000000, -0.0149253400000000, 0.0199841200000000 ] - [ 0.0032496400000000, -0.0055704000000000, 0.0200833100000000 ] - [ 0.0003727100000000, -0.0001358900000000, 0.0004787400000000 ] - [ -0.0002833900000000, -0.0000869900000000, 0.0008580800000000 ] - [ -0.0021242200000000, -0.0070834700000000, 0.0057113000000000 ] - [ -0.0001353100000000, 0.0014666700000000, -0.0008748600000000 ] - [ -0.0035253900000000, -0.0086164600000000, -0.0032696200000000 ] - [ 0.0015582500000000, -0.0007486200000000, -0.0009396000000000 ] - [ -0.0119650500000000, 0.0168998600000000, 0.0090605800000000 ] - [ 0.0052898300000000, -0.0032658500000000, 0.0015969800000000 ] - [ -0.0016893800000000, 0.0015752600000000, 0.0013552000000000 ] - [ 0.0010779200000000, 0.0007203600000000, -0.0006850100000000 ] - [ 0.0071081000000000, 0.0043752600000000, -0.0226081900000000 ] - [ -0.0080271100000000, -0.0000939800000000, 0.0013590000000000 ] - [ 0.0012149800000000, 0.0006622200000000, -0.0002934900000000 ] - [ -0.0016056700000000, -0.0018705700000000, -0.0004565000000000 ] - [ -0.0052664800000000, -0.0039384500000000, 0.0024441700000000 ] - [ 0.0178029300000000, 0.0201124500000000, 0.0014796400000000 ] - [ 0.0002437300000000, -0.0007711700000000, 0.0013019800000000 ] - [ -0.0001039700000000, 0.0030743700000000, 0.0006541200000000 ] - [ 0.0236527500000000, 0.0108116600000000, -0.0128889900000000 ] - [ -0.0017012800000000, 0.0020432800000000, -0.0021455600000000 ] - [ 0.0006933300000000, -0.0009480000000000, -0.0011169400000000 ] - [ -0.0021779400000000, 0.0016731200000000, -0.0002287800000000 ] - [ 0.0237805300000000, 0.0008522300000000, -0.0538656700000000 ] - [ -0.0009491000000000, 0.0011476200000000, 0.0041694100000000 ] - [ -0.0004804000000000, 0.0009431800000000, -0.0002627000000000 ] - [ -0.0006561600000000, 0.0000358500000000, 0.0003980400000000 ] - [ -0.0010188800000000, -0.0008910900000000, -0.0045181100000000 ] - [ -0.0033930100000000, -0.0098868700000000, -0.0061836100000000 ] - [ -0.0022522300000000, 0.0041657700000000, -0.0004478500000000 ] - [ 0.0016135200000000, 0.0007617800000000, -0.0032054800000000 ] - [ -0.1606937100000000, -0.0043475200000000, 0.2409696400000000 ] - [ 0.0136571200000000, -0.0059188900000000, -0.0022809300000000 ] - [ -0.0022859300000000, -0.0006559400000000, 0.0021851300000000 ] - [ 0.0037188500000000, 0.0005444300000000, 0.0005579700000000 ] - [ 0.0121708700000000, -0.0083532000000000, 0.0024605200000000 ] - [ -0.0133769200000000, -0.0025520700000000, 0.0067462500000000 ] - [ 0.0147417400000000, -0.0030370600000000, -0.0131788700000000 ] - [ -0.0135249200000000, -0.0078471700000000, -0.0024204600000000 ] - [ 0.0329252600000000, 0.0275331900000000, -0.0150173600000000 ] - [ 0.0027499900000000, -0.0062549500000000, 0.0040082100000000 ] - [ 0.0005601500000000, 0.0073212900000000, -0.0063897700000000 ] - [ -0.0011494100000000, -0.0006415300000000, -0.0014283000000000 ] - [ -0.0005963600000000, -0.0025193400000000, 0.0015898300000000 ] - [ 0.0015616400000000, -0.0002269700000000, -0.0006135000000000 ] - [ -0.0194989900000000, -0.0056564300000000, -0.0737976100000000 ] - [ 0.0015053500000000, 0.0154576700000000, -0.0107121300000000 ] - [ 0.0012588200000000, -0.0058202000000000, 0.0045109800000000 ] - [ 0.0016761200000000, 0.0031720200000000, 0.0075956900000000 ] - [ 0.0076698900000000, -0.0101656000000000, 0.0093865400000000 ] - [ 0.0283630300000000, 0.0255674400000000, -0.0080445400000000 ] - [ 0.0014456300000000, -0.0029270400000000, -0.0015583200000000 ] - [ -0.0009743500000000, 0.0004755900000000, -0.0010090200000000 ] - [ -0.0078782500000000, -0.0513663000000000, -0.0521930000000000 ] - [ -0.0025143800000000, 0.0102830900000000, -0.0124328400000000 ]- atom: 65 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ 0.1831732400000000, 0.1118682100000000, -0.1093223500000000 ] - [ -0.0189055500000000, -0.0034548800000000, 0.0026201800000000 ] - [ 0.0001263000000000, 0.0006597200000000, -0.0003814300000000 ] - [ 0.0004427600000000, 0.0001507600000000, -0.0010323100000000 ] - [ 0.0011447000000000, 0.0003829700000000, -0.0005566300000000 ] - [ 0.0000803100000000, -0.0000738100000000, -0.0007897500000000 ] - [ 0.0057782100000000, -0.0027255300000000, 0.0015250400000000 ] - [ -0.0010375300000000, -0.0011684500000000, -0.0028137200000000 ] - [ -0.0188885400000000, 0.0027576400000000, -0.0016943900000000 ] - [ 0.3284894900000000, -0.1016002200000000, 0.0304165500000000 ] - [ 0.0001754300000000, 0.0000727100000000, -0.0000815500000000 ] - [ -0.0004412200000000, -0.0000190600000000, -0.0004231700000000 ] - [ 0.0001285700000000, 0.0002795600000000, -0.0002850200000000 ] - [ -0.0012240900000000, 0.0007022100000000, -0.0002332600000000 ] - [ -0.0055833500000000, -0.0033474800000000, -0.0058389800000000 ] - [ 0.0017803600000000, 0.0007067800000000, 0.0041597500000000 ] - [ 0.0757259700000000, -0.0085381800000000, 0.0879140500000000 ] - [ -0.0070330400000000, -0.0006803100000000, 0.0013911200000000 ] - [ 0.0014446400000000, -0.0003036400000000, 0.0003799200000000 ] - [ 0.0003003500000000, -0.0000631400000000, -0.0004353900000000 ] - [ 0.0012189900000000, 0.0007932600000000, 0.0005870400000000 ] - [ 0.0007472900000000, 0.0003076600000000, -0.0004381900000000 ] - [ -0.0043598300000000, -0.0011888800000000, 0.0084730500000000 ] - [ -0.0061765800000000, 0.0032779700000000, -0.0225871300000000 ] - [ 0.0008558500000000, -0.0035157600000000, 0.0056247000000000 ] - [ -0.0015630000000000, 0.0019233300000000, -0.0075699400000000 ] - [ -0.0005246500000000, 0.0011564700000000, 0.0001419000000000 ] - [ 0.0003225800000000, -0.0013047300000000, 0.0011432800000000 ] - [ -0.0010685800000000, 0.0010900000000000, -0.0002058500000000 ] - [ 0.0023606200000000, 0.0023714000000000, -0.0014043900000000 ] - [ 0.0372062700000000, -0.0061888800000000, 0.0024507500000000 ] - [ -0.0039461300000000, 0.0002820700000000, -0.0008281800000000 ] - [ 0.0022775800000000, -0.0017210100000000, -0.0007999900000000 ] - [ -0.0026208300000000, 0.0039155000000000, 0.0026125700000000 ] - [ 0.0066946600000000, 0.0056566400000000, 0.0004151700000000 ] - [ -0.0022482200000000, -0.0001539500000000, -0.0011366200000000 ] - [ 0.0060212500000000, -0.0139154900000000, 0.0013196700000000 ] - [ -0.0046586000000000, 0.0027894400000000, -0.0013596400000000 ] - [ -0.0009922900000000, 0.0002598000000000, 0.0010888500000000 ] - [ 0.0045023800000000, 0.0008876300000000, 0.0012243300000000 ] - [ 0.0023965600000000, 0.0031768100000000, 0.0013971400000000 ] - [ -0.0036807500000000, -0.0036404700000000, -0.0011231700000000 ] - [ -0.0027303100000000, 0.0026431300000000, -0.0024094200000000 ] - [ 0.0006402400000000, -0.0000429400000000, 0.0007379900000000 ] - [ -0.0052227000000000, -0.0034634600000000, 0.0009501500000000 ] - [ 0.0171733300000000, 0.0197752000000000, -0.0064182800000000 ] - [ 0.0009978900000000, -0.0021095200000000, -0.0016561700000000 ] - [ -0.0012207800000000, 0.0003506200000000, -0.0003111200000000 ] - [ -0.0030549600000000, -0.0111205700000000, -0.0112742200000000 ] - [ -0.0066197900000000, 0.0143309800000000, 0.0111685800000000 ] - [ 0.0001230100000000, 0.0006197900000000, 0.0002471900000000 ] - [ -0.0011389600000000, 0.0014503500000000, -0.0013391300000000 ] - [ 0.0032584300000000, 0.0008171500000000, -0.0000118000000000 ] - [ -0.0021311600000000, 0.0000510000000000, 0.0001570100000000 ] - [ -0.0000695100000000, 0.0000718900000000, -0.0003216000000000 ] - [ 0.0029587700000000, -0.0005176000000000, -0.0011103500000000 ] - [ 0.0449828300000000, 0.0357773300000000, -0.0119156700000000 ] - [ 0.0483904400000000, -0.0547112100000000, 0.0251744200000000 ] - [ -0.0007001000000000, -0.0011035700000000, -0.0004362600000000 ] - [ 0.0018687400000000, -0.0001731700000000, 0.0031039300000000 ] - [ -0.0031058700000000, -0.0004621200000000, -0.0005137200000000 ] - [ 0.0049524300000000, -0.0007700100000000, 0.0017872700000000 ] - [ -0.0075606500000000, -0.0043256100000000, 0.0175824900000000 ] - [ -0.0004015200000000, -0.0005853400000000, -0.0027066400000000 ] - [ -0.6989378000000001, 0.0048621100000000, -0.0186910900000000 ] - [ 0.0295974200000000, 0.0017898500000000, -0.0021481900000000 ] - [ 0.0003919400000000, -0.0001842400000000, -0.0004852900000000 ] - [ 0.0000535000000000, -0.0006926300000000, -0.0003173800000000 ] - [ 0.0000263600000000, -0.0028948700000000, -0.0012376400000000 ] - [ 0.0003260100000000, 0.0006728100000000, -0.0000003500000000 ] - [ 0.0019448800000000, 0.0024767800000000, -0.0152776600000000 ] - [ 0.0076292600000000, 0.0009982400000000, 0.0183497800000000 ] - [ 0.0043534500000000, -0.0003480600000000, 0.0015312300000000 ] - [ -0.0042928300000000, 0.0069055700000000, 0.0037253300000000 ] - [ -0.0218734700000000, -0.0003235700000000, 0.0050216600000000 ] - [ 0.0082783200000000, -0.0003740400000000, -0.0005880400000000 ] - [ -0.0008889900000000, 0.0020751200000000, -0.0042998400000000 ] - [ 0.0042877700000000, -0.0034858900000000, 0.0023821100000000 ] - [ 0.0011798100000000, 0.0097711200000000, 0.0107179200000000 ] - [ -0.0019069700000000, -0.0096153100000000, -0.0127112500000000 ]- atom: 65 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ -0.1888807000000000, -0.1172809700000000, 0.1169115800000000 ] - [ 0.0181121100000000, 0.0039054500000000, -0.0012428300000000 ] - [ 0.0007471500000000, -0.0002681600000000, -0.0009987800000000 ] - [ 0.0004368900000000, 0.0002432800000000, -0.0003450300000000 ] - [ -0.0002716200000000, -0.0007779500000000, -0.0008240200000000 ] - [ 0.0007957300000000, -0.0003201700000000, -0.0005881600000000 ] - [ -0.0066215100000000, 0.0023291400000000, -0.0001318200000000 ] - [ 0.0001629600000000, 0.0007766100000000, 0.0042189200000000 ] - [ 0.0197649500000000, -0.0031171600000000, 0.0022203600000000 ] - [ -0.3066902600000000, 0.0925227100000000, -0.0273114800000000 ] - [ -0.0009198200000000, -0.0004515900000000, -0.0004558700000000 ] - [ -0.0003010800000000, -0.0003657900000000, -0.0001164800000000 ] - [ -0.0008688500000000, 0.0001045100000000, -0.0002561800000000 ] - [ 0.0004773600000000, -0.0003177000000000, -0.0003069200000000 ] - [ 0.0062953400000000, 0.0037105500000000, 0.0063501300000000 ] - [ -0.0010370000000000, -0.0003228200000000, -0.0036074400000000 ] - [ -0.0767778600000000, 0.0077980100000000, -0.0886877400000000 ] - [ 0.0051344900000000, -0.0001123700000000, -0.0013739400000000 ] - [ 0.0004485400000000, -0.0004815300000000, -0.0003716400000000 ] - [ 0.0015964400000000, -0.0007230000000000, 0.0004536200000000 ] - [ 0.0006678000000000, -0.0000056800000000, -0.0005829700000000 ] - [ 0.0011516100000000, 0.0004788500000000, 0.0004464300000000 ] - [ 0.0024255400000000, 0.0019905000000000, -0.0084815900000000 ] - [ 0.0042503300000000, -0.0024639400000000, 0.0225386800000000 ] - [ -0.0007686200000000, 0.0018987100000000, -0.0057718800000000 ] - [ 0.0016501800000000, -0.0035463400000000, 0.0074298300000000 ] - [ 0.0004315900000000, -0.0027884100000000, 0.0000008500000000 ] - [ -0.0004059900000000, -0.0003230600000000, -0.0009966000000000 ] - [ 0.0009790200000000, 0.0005364200000000, 0.0003440000000000 ] - [ -0.0024434600000000, -0.0007558300000000, 0.0015585300000000 ] - [ -0.0370223100000000, 0.0065694900000000, -0.0031134900000000 ] - [ 0.0040378800000000, 0.0013148600000000, 0.0006595100000000 ] - [ -0.0021930300000000, 0.0029833400000000, 0.0017584500000000 ] - [ 0.0027206900000000, -0.0026662900000000, -0.0016609700000000 ] - [ -0.0067573600000000, -0.0043867600000000, -0.0013636500000000 ] - [ 0.0021564600000000, 0.0014048100000000, 0.0002034600000000 ] - [ -0.0061093500000000, 0.0125762500000000, -0.0022672600000000 ] - [ 0.0045714800000000, -0.0040400100000000, 0.0004031800000000 ] - [ 0.0010710400000000, -0.0015369000000000, -0.0001452100000000 ] - [ -0.0043416900000000, -0.0021155100000000, -0.0002526800000000 ] - [ -0.0031353600000000, -0.0031669800000000, -0.0012395800000000 ] - [ 0.0029435200000000, 0.0036522500000000, 0.0012873100000000 ] - [ 0.0034382900000000, -0.0026250800000000, 0.0022460300000000 ] - [ 0.0001036200000000, 0.0000425200000000, -0.0008852700000000 ] - [ 0.0059704200000000, 0.0034807400000000, -0.0011186900000000 ] - [ -0.0164010200000000, -0.0197010200000000, 0.0062285000000000 ] - [ -0.0017881600000000, 0.0021699800000000, 0.0018720000000000 ] - [ 0.0004947500000000, -0.0003708300000000, 0.0004647100000000 ] - [ 0.0040050700000000, 0.0117707000000000, 0.0113852800000000 ] - [ 0.0075891900000000, -0.0137320100000000, -0.0111105400000000 ] - [ -0.0010823400000000, -0.0000229100000000, -0.0003380400000000 ] - [ 0.0001855500000000, -0.0008546600000000, 0.0012544400000000 ] - [ -0.0042118600000000, -0.0014243900000000, -0.0000965000000000 ] - [ 0.0011787300000000, -0.0006435900000000, -0.0002463900000000 ] - [ 0.0010261200000000, -0.0006682800000000, 0.0003964700000000 ] - [ -0.0019790100000000, -0.0001021100000000, 0.0013090700000000 ] - [ -0.0466279800000000, -0.0363960000000000, 0.0102506600000000 ] - [ -0.0497541500000000, 0.0541972100000000, -0.0269887300000000 ] - [ 0.0023803100000000, 0.0008282900000000, 0.0023226400000000 ] - [ -0.0002618800000000, -0.0001000600000000, -0.0012330900000000 ] - [ 0.0047379700000000, 0.0007302500000000, 0.0024020300000000 ] - [ -0.0033263700000000, 0.0010348900000000, 0.0000821600000000 ] - [ 0.0059424100000000, 0.0046061400000000, -0.0194831900000000 ] - [ -0.0012202500000000, 0.0008799700000000, 0.0007336300000000 ] - [ 0.6811518100000000, 0.0117297400000000, 0.0117894200000000 ] - [ -0.0300439900000000, -0.0013114100000000, 0.0029442000000000 ] - [ -0.0000598700000000, 0.0006205300000000, -0.0002972800000000 ] - [ 0.0002704000000000, 0.0011327700000000, -0.0004771000000000 ] - [ 0.0003149800000000, 0.0024627300000000, 0.0004626700000000 ] - [ -0.0000035300000000, -0.0011064100000000, -0.0007807400000000 ] - [ -0.0022467000000000, -0.0029339100000000, 0.0160540700000000 ] - [ -0.0079323900000000, -0.0014404600000000, -0.0175430200000000 ] - [ -0.0045735300000000, -0.0001309100000000, -0.0013470100000000 ] - [ 0.0039484400000000, -0.0075256400000000, -0.0036776100000000 ] - [ 0.0220272300000000, -0.0001844400000000, -0.0051439500000000 ] - [ -0.0080692000000000, -0.0001546600000000, 0.0004546100000000 ] - [ 0.0011045100000000, -0.0015437900000000, 0.0041462800000000 ] - [ -0.0040655800000000, 0.0040168900000000, -0.0025446300000000 ] - [ -0.0013919800000000, -0.0092996900000000, -0.0106152200000000 ] - [ 0.0016867700000000, 0.0101081200000000, 0.0128374600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1094849000000000, 0.1334600400000000, -0.0892039100000000 ] - [ 0.0049746100000000, 0.0025961500000000, 0.0008125100000000 ] - [ 0.0025944200000000, -0.0032650800000000, -0.0016043800000000 ] - [ 0.0029846800000000, -0.0068272500000000, -0.0027186100000000 ] - [ -0.0017881200000000, -0.0050978800000000, 0.0004801600000000 ] - [ -0.0014907300000000, -0.0040094200000000, 0.0003552000000000 ] - [ -0.0038124800000000, 0.0053238800000000, 0.0023747500000000 ] - [ -0.0036252300000000, 0.0063216400000000, 0.0008566500000000 ] - [ -0.0119485000000000, 0.0071378700000000, -0.0037235300000000 ] - [ -0.1009609800000000, 0.0887882600000000, -0.0113188400000000 ] - [ -0.0026738800000000, -0.0071028600000000, -0.0016269800000000 ] - [ -0.0025387600000000, -0.0034407900000000, -0.0010093500000000 ] - [ 0.0014863800000000, -0.0045956100000000, 0.0007809600000000 ] - [ 0.0023642200000000, -0.0040830400000000, 0.0008113700000000 ] - [ 0.0035171400000000, 0.0052724200000000, 0.0040308400000000 ] - [ 0.0043901900000000, 0.0060900200000000, 0.0027972200000000 ] - [ -0.0078503800000000, 0.0455756700000000, -0.0388730200000000 ] - [ -0.0013397300000000, 0.0039316200000000, -0.0043571000000000 ] - [ 0.0010302600000000, -0.0031737500000000, -0.0011080700000000 ] - [ 0.0007880200000000, -0.0036393300000000, -0.0014802700000000 ] - [ 0.0029307000000000, -0.0036987400000000, 0.0026073900000000 ] - [ -0.0004229600000000, -0.0030172500000000, 0.0024081300000000 ] - [ -0.0052778500000000, -0.0000675200000000, 0.0101398500000000 ] - [ 0.0017992300000000, 0.0020825800000000, 0.0093594700000000 ] - [ 0.0007030100000000, -0.0008892000000000, 0.0005067200000000 ] - [ -0.0002981300000000, 0.0001748200000000, -0.0018413600000000 ] - [ 0.0013019800000000, -0.0040953800000000, 0.0009321800000000 ] - [ -0.0011862100000000, -0.0038325700000000, 0.0000388400000000 ] - [ 0.0002901900000000, -0.0041943600000000, 0.0025788000000000 ] - [ 0.0006842500000000, -0.0088667900000000, 0.0060284600000000 ] - [ -0.0080060500000000, 0.1888317200000000, 0.0401766000000000 ] - [ 0.0003844300000000, 0.0085659100000000, 0.0037466200000000 ] - [ 0.0016811600000000, -0.0041441400000000, -0.0011212800000000 ] - [ 0.0017776100000000, -0.0028434600000000, -0.0001084400000000 ] - [ -0.0000177500000000, 0.0038607300000000, 0.0038372900000000 ] - [ -0.0001056000000000, 0.0021984900000000, -0.0033537200000000 ] - [ 0.0001415700000000, -0.0087733900000000, 0.0015597200000000 ] - [ 0.0027452900000000, -0.0032485100000000, 0.0002642000000000 ] - [ 0.0052617300000000, 0.0010473300000000, 0.0002893600000000 ] - [ -0.0209920300000000, -0.0207969100000000, -0.0111151800000000 ] - [ -0.0013642300000000, -0.0040636700000000, -0.0006894100000000 ] - [ -0.0043447300000000, -0.0062493100000000, -0.0005327100000000 ] - [ -0.0032059700000000, 0.0053100200000000, -0.0008183300000000 ] - [ -0.0002750800000000, 0.0031465800000000, -0.0018923300000000 ] - [ -0.0031145900000000, -0.0033229800000000, 0.0007115400000000 ] - [ 0.0006485300000000, -0.0098273300000000, 0.0033351300000000 ] - [ 0.0097337600000000, -0.0185082500000000, -0.0130335100000000 ] - [ -0.0036876900000000, 0.0015198100000000, 0.0000018400000000 ] - [ -0.0040372300000000, -0.0082102000000000, -0.0099005800000000 ] - [ 0.0031031700000000, -0.0033666600000000, -0.0030505500000000 ] - [ 0.0006295200000000, -0.0012448700000000, -0.0008402000000000 ] - [ -0.0017872100000000, -0.0002908600000000, -0.0028916900000000 ] - [ -0.0007582400000000, -0.0071341300000000, -0.0032840800000000 ] - [ -0.0005789300000000, -0.0039323900000000, -0.0013209600000000 ] - [ 0.0008633500000000, 0.0039364700000000, 0.0001252100000000 ] - [ -0.0023842000000000, 0.0131426100000000, -0.0323453400000000 ] - [ 0.0396361600000000, 0.0252104900000000, -0.0083664300000000 ] - [ -0.0295145600000000, 0.0157797000000000, -0.0106342900000000 ] - [ -0.0118857900000000, 0.0139378300000000, 0.0016274000000000 ] - [ 0.0103879700000000, 0.0152801100000000, 0.0056409000000000 ] - [ 0.0002557300000000, 0.0129185200000000, 0.0032582100000000 ] - [ 0.0022388700000000, 0.0104919800000000, 0.0018027000000000 ] - [ -0.0012584400000000, -0.0126780700000000, -0.0076357700000000 ] - [ -0.0057074000000000, -0.0180704500000000, 0.0144437300000000 ] - [ -0.0022384500000000, -0.5227538400000000, 0.0753588900000000 ] - [ 0.0013819700000000, -0.0140885300000000, 0.0028076700000000 ] - [ 0.0005661400000000, 0.0085488400000000, 0.0003602400000000 ] - [ 0.0010747000000000, 0.0145867700000000, 0.0008291100000000 ] - [ -0.0025201600000000, 0.0105656300000000, -0.0038947800000000 ] - [ 0.0010647300000000, 0.0084332800000000, -0.0034412900000000 ] - [ -0.0028864900000000, -0.0052110300000000, -0.0088518400000000 ] - [ -0.0013669200000000, -0.0093138000000000, -0.0066699500000000 ] - [ -0.0035208400000000, -0.0096972400000000, -0.0027331200000000 ] - [ 0.0267582900000000, 0.0491796300000000, 0.0871992100000000 ] - [ 0.0019959100000000, 0.0231918900000000, -0.0063099200000000 ] - [ 0.0001049300000000, 0.0080955100000000, -0.0017182800000000 ] - [ 0.0051417100000000, 0.0007916700000000, -0.0015532800000000 ] - [ 0.0010872400000000, -0.0031364300000000, -0.0019203800000000 ] - [ 0.0026891900000000, 0.0119911900000000, 0.0094444500000000 ] - [ -0.0019053300000000, 0.0074856100000000, 0.0041735200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1147725700000000, -0.1347029900000000, 0.0945469400000000 ] - [ -0.0057825300000000, -0.0022112700000000, 0.0005779400000000 ] - [ -0.0017218600000000, 0.0036607500000000, 0.0002266500000000 ] - [ -0.0021169700000000, 0.0072213900000000, 0.0013359200000000 ] - [ 0.0026606500000000, 0.0047038100000000, -0.0018542000000000 ] - [ 0.0023570400000000, 0.0036118200000000, -0.0017305200000000 ] - [ 0.0029948900000000, -0.0057386900000000, -0.0010336200000000 ] - [ 0.0027475800000000, -0.0067084900000000, 0.0005170100000000 ] - [ 0.0126548000000000, -0.0075114800000000, 0.0042380100000000 ] - [ 0.1029371700000000, -0.0882548200000000, 0.0119822900000000 ] - [ 0.0019430500000000, 0.0067307000000000, 0.0010858900000000 ] - [ 0.0017984700000000, 0.0030577600000000, 0.0004712100000000 ] - [ -0.0022331400000000, 0.0049780000000000, -0.0013157900000000 ] - [ -0.0030961200000000, 0.0044635200000000, -0.0013506100000000 ] - [ -0.0028139800000000, -0.0049206100000000, -0.0035234900000000 ] - [ -0.0036278900000000, -0.0057024100000000, -0.0022486600000000 ] - [ 0.0064446300000000, -0.0468835200000000, 0.0407681600000000 ] - [ -0.0005549200000000, -0.0047033000000000, 0.0043250400000000 ] - [ 0.0008618900000000, 0.0023841900000000, 0.0011190400000000 ] - [ 0.0011059400000000, 0.0028500400000000, 0.0014790300000000 ] - [ -0.0010282100000000, 0.0044854200000000, -0.0026100100000000 ] - [ 0.0023102100000000, 0.0038063300000000, -0.0024047700000000 ] - [ 0.0033312000000000, 0.0008098900000000, -0.0100604300000000 ] - [ -0.0037021400000000, -0.0013295100000000, -0.0093312600000000 ] - [ -0.0006017700000000, -0.0007727000000000, -0.0006150500000000 ] - [ 0.0003935200000000, -0.0018275600000000, 0.0017353300000000 ] - [ -0.0013773200000000, 0.0024776500000000, -0.0007702700000000 ] - [ 0.0010882500000000, 0.0022213200000000, 0.0001154300000000 ] - [ -0.0003819200000000, 0.0058062000000000, -0.0024350100000000 ] - [ -0.0007702700000000, 0.0105167600000000, -0.0059138700000000 ] - [ 0.0078508600000000, -0.1742353600000000, -0.0344402900000000 ] - [ -0.0002916000000000, -0.0069108000000000, -0.0038679800000000 ] - [ -0.0015913600000000, 0.0054017200000000, 0.0020930600000000 ] - [ -0.0016862500000000, 0.0040866600000000, 0.0010697800000000 ] - [ -0.0000535900000000, -0.0025407000000000, -0.0047553900000000 ] - [ 0.0000287700000000, -0.0009221600000000, 0.0023842400000000 ] - [ -0.0001716200000000, 0.0075210800000000, -0.0025398000000000 ] - [ -0.0028429700000000, 0.0019729900000000, -0.0012278600000000 ] - [ -0.0051575300000000, -0.0022873500000000, 0.0006658800000000 ] - [ 0.0210734300000000, 0.0194968800000000, 0.0120310200000000 ] - [ 0.0006121900000000, 0.0040594200000000, 0.0008609000000000 ] - [ 0.0036198700000000, 0.0062614700000000, 0.0006972400000000 ] - [ 0.0039133500000000, -0.0052527000000000, 0.0006564500000000 ] - [ 0.0009959500000000, -0.0031127800000000, 0.0017340200000000 ] - [ 0.0038465200000000, 0.0032871500000000, -0.0008750200000000 ] - [ 0.0000362400000000, 0.0098566900000000, -0.0035490700000000 ] - [ -0.0105124100000000, 0.0185799600000000, 0.0132713800000000 ] - [ 0.0029423400000000, -0.0015113400000000, 0.0001596100000000 ] - [ 0.0050509700000000, 0.0088075100000000, 0.0099976000000000 ] - [ -0.0021595800000000, 0.0039323400000000, 0.0031416500000000 ] - [ -0.0015903800000000, 0.0018448000000000, 0.0007568900000000 ] - [ 0.0008273800000000, 0.0008943400000000, 0.0028004200000000 ] - [ -0.0001910500000000, 0.0065560200000000, 0.0032057100000000 ] - [ -0.0003769800000000, 0.0033286200000000, 0.0012271900000000 ] - [ 0.0000920200000000, -0.0045071200000000, -0.0000366600000000 ] - [ 0.0033514400000000, -0.0137034900000000, 0.0322889000000000 ] - [ -0.0414503000000000, -0.0252748300000000, 0.0066380200000000 ] - [ 0.0280985100000000, -0.0158329100000000, 0.0088258300000000 ] - [ 0.0135107200000000, -0.0142312900000000, 0.0002699600000000 ] - [ -0.0087089300000000, -0.0155297300000000, -0.0037401100000000 ] - [ 0.0013864100000000, -0.0126528300000000, -0.0014059400000000 ] - [ -0.0006203300000000, -0.0102106200000000, 0.0000814100000000 ] - [ -0.0003296700000000, 0.0127985100000000, 0.0058168400000000 ] - [ 0.0040368000000000, 0.0182624300000000, -0.0162540900000000 ] - [ 0.0048571500000000, 0.5107329700000000, -0.0870718100000000 ] - [ -0.0017170300000000, 0.0144776300000000, -0.0020111600000000 ] - [ -0.0002373200000000, -0.0081069800000000, -0.0011510500000000 ] - [ -0.0007492900000000, -0.0141735300000000, -0.0015965100000000 ] - [ 0.0028341700000000, -0.0109879400000000, 0.0031101600000000 ] - [ -0.0007176300000000, -0.0088707800000000, 0.0026520600000000 ] - [ 0.0025151800000000, 0.0048356500000000, 0.0095868800000000 ] - [ 0.0010645500000000, 0.0089225800000000, 0.0074306000000000 ] - [ 0.0032944500000000, 0.0091292200000000, 0.0028602100000000 ] - [ -0.0269932700000000, -0.0491362600000000, -0.0866039800000000 ] - [ -0.0018671300000000, -0.0238418700000000, 0.0062329600000000 ] - [ 0.0001202600000000, -0.0085820000000000, 0.0015736100000000 ] - [ -0.0048821000000000, -0.0002992600000000, 0.0013818900000000 ] - [ -0.0008736900000000, 0.0035957900000000, 0.0017509400000000 ] - [ -0.0029346000000000, -0.0115115700000000, -0.0093859500000000 ] - [ 0.0016994500000000, -0.0069344300000000, -0.0040669800000000 ]- atom: 65 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ -0.1949295300000000, -0.1403572200000000, 0.1803409400000000 ] - [ 0.0107479600000000, 0.0022219400000000, -0.0011209600000000 ] - [ 0.0007336900000000, 0.0001701100000000, -0.0012365200000000 ] - [ 0.0001481200000000, -0.0003220700000000, -0.0012616400000000 ] - [ 0.0004434600000000, 0.0001691700000000, -0.0001812000000000 ] - [ 0.0009965400000000, 0.0004546500000000, -0.0005223200000000 ] - [ 0.0126308100000000, -0.0076000000000000, -0.0128213600000000 ] - [ -0.0051704000000000, 0.0014038300000000, 0.0002846500000000 ] - [ 0.0196229800000000, -0.0050422700000000, 0.0053612200000000 ] - [ -0.1332034500000000, 0.0344968900000000, 0.0304598800000000 ] - [ 0.0001689600000000, -0.0002986200000000, -0.0009063800000000 ] - [ -0.0004319600000000, -0.0000104400000000, -0.0004480000000000 ] - [ -0.0010565000000000, 0.0007507000000000, 0.0002951700000000 ] - [ -0.0003042300000000, 0.0007004400000000, 0.0000022200000000 ] - [ -0.0060024700000000, -0.0040123300000000, -0.0068267300000000 ] - [ 0.0047781100000000, -0.0000243800000000, -0.0057110400000000 ] - [ 0.0366673900000000, -0.0250326300000000, 0.2466367200000000 ] - [ 0.0029742000000000, -0.0013092900000000, 0.0012432800000000 ] - [ 0.0007024500000000, -0.0003372900000000, -0.0004848200000000 ] - [ 0.0010846200000000, -0.0004709100000000, -0.0009158200000000 ] - [ 0.0017790100000000, -0.0001958100000000, 0.0016258400000000 ] - [ 0.0004550200000000, 0.0000474900000000, 0.0017368200000000 ] - [ 0.0042894500000000, -0.0001141100000000, -0.0154715300000000 ] - [ -0.0026190900000000, -0.0021683200000000, 0.0077953700000000 ] - [ 0.0015471200000000, -0.0014382500000000, -0.0034164700000000 ] - [ -0.0003561700000000, -0.0042107500000000, 0.0048861000000000 ] - [ -0.0005754300000000, 0.0018303800000000, 0.0023882500000000 ] - [ 0.0017824900000000, 0.0026802000000000, 0.0021318200000000 ] - [ 0.0005685700000000, 0.0011591900000000, -0.0003051300000000 ] - [ -0.0019460800000000, 0.0016955900000000, -0.0004824000000000 ] - [ -0.0202779100000000, 0.0480691700000000, 0.0464492100000000 ] - [ 0.0022950900000000, 0.0002741400000000, -0.0009988500000000 ] - [ -0.0011836800000000, 0.0009776500000000, 0.0018462700000000 ] - [ 0.0016251000000000, -0.0010595300000000, -0.0003504800000000 ] - [ 0.0107658100000000, 0.0118976800000000, -0.0068529300000000 ] - [ -0.0027027600000000, 0.0005408500000000, -0.0020147300000000 ] - [ -0.0036629900000000, 0.0139399400000000, -0.0021560000000000 ] - [ 0.0017348400000000, -0.0021322700000000, -0.0002192300000000 ] - [ 0.0027297300000000, -0.0005758800000000, -0.0008782200000000 ] - [ -0.0102187100000000, -0.0089186300000000, -0.0036585600000000 ] - [ -0.0017056200000000, -0.0018103500000000, 0.0000057200000000 ] - [ 0.0007389300000000, 0.0014809700000000, 0.0009861600000000 ] - [ -0.0093269500000000, 0.0099588100000000, -0.0059273600000000 ] - [ 0.0064495400000000, -0.0021098700000000, -0.0030983900000000 ] - [ 0.0043604100000000, 0.0025578900000000, -0.0003879800000000 ] - [ -0.0109060600000000, -0.0082488600000000, 0.0039514200000000 ] - [ 0.0031930300000000, -0.0044406600000000, -0.0023911900000000 ] - [ -0.0012757800000000, 0.0010048400000000, -0.0011656500000000 ] - [ 0.0022321300000000, 0.0089808600000000, 0.0170052700000000 ] - [ 0.0031935900000000, -0.0050711600000000, -0.0030498800000000 ] - [ 0.0024723600000000, 0.0039862900000000, -0.0051215000000000 ] - [ -0.0022804900000000, 0.0029412600000000, -0.0028774300000000 ] - [ -0.0027290500000000, 0.0008949800000000, 0.0023036900000000 ] - [ 0.0003492300000000, -0.0000120400000000, 0.0002539100000000 ] - [ 0.0015430200000000, 0.0021944700000000, -0.0060869000000000 ] - [ -0.0020689900000000, -0.0015811100000000, -0.0120163100000000 ] - [ -0.0533033800000000, -0.0384008500000000, 0.0029764300000000 ] - [ -0.0174896600000000, 0.0258014300000000, -0.0128271100000000 ] - [ -0.0038048100000000, 0.0026724600000000, 0.0043778000000000 ] - [ 0.0049548400000000, 0.0028383500000000, 0.0036554200000000 ] - [ 0.0025478800000000, 0.0004221300000000, -0.0004464900000000 ] - [ -0.0011123600000000, 0.0003508000000000, 0.0008397700000000 ] - [ -0.0032748000000000, -0.0129627700000000, 0.0605461000000000 ] - [ -0.0012507600000000, -0.0003476300000000, 0.0108836200000000 ] - [ 0.3482636500000000, 0.0764677400000000, -0.5739016200000000 ] - [ -0.0176835800000000, 0.0014926600000000, 0.0007118400000000 ] - [ -0.0000353200000000, -0.0002231100000000, 0.0004787500000000 ] - [ 0.0002926900000000, -0.0003515400000000, 0.0015436000000000 ] - [ -0.0004851400000000, -0.0018594200000000, -0.0033450000000000 ] - [ 0.0004146200000000, -0.0032827500000000, -0.0033608800000000 ] - [ -0.0146708900000000, 0.0062487700000000, 0.0245243400000000 ] - [ 0.0112469900000000, 0.0052031700000000, 0.0011624600000000 ] - [ -0.0036475300000000, -0.0037904600000000, 0.0047508600000000 ] - [ 0.0113299300000000, 0.0322068900000000, 0.0329897500000000 ] - [ 0.0151995800000000, -0.0076769800000000, -0.0044197900000000 ] - [ -0.0047506400000000, -0.0013412000000000, 0.0007708400000000 ] - [ -0.0145938300000000, -0.0077704300000000, 0.0053156900000000 ] - [ 0.0107272500000000, -0.0097904500000000, -0.0017587700000000 ] - [ 0.0013394800000000, -0.0010436700000000, -0.0065396900000000 ] - [ -0.0010836800000000, 0.0065615700000000, 0.0044460900000000 ]- atom: 65 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ 0.1833754800000000, 0.1308130900000000, -0.1712222000000000 ] - [ -0.0115565100000000, -0.0018115300000000, 0.0024896000000000 ] - [ 0.0001427200000000, 0.0002202900000000, -0.0001405000000000 ] - [ 0.0007233200000000, 0.0007236700000000, -0.0001139900000000 ] - [ 0.0004358800000000, -0.0005584900000000, -0.0011997800000000 ] - [ -0.0001241700000000, -0.0008501900000000, -0.0008583400000000 ] - [ -0.0135381100000000, 0.0072395100000000, 0.0142990800000000 ] - [ 0.0042698700000000, -0.0017896700000000, 0.0010930400000000 ] - [ -0.0188251800000000, 0.0046793300000000, -0.0048118700000000 ] - [ 0.1359846000000000, -0.0358238600000000, -0.0285344500000000 ] - [ -0.0009190200000000, -0.0000889500000000, 0.0003699900000000 ] - [ -0.0003067900000000, -0.0003716000000000, -0.0000914600000000 ] - [ 0.0003182400000000, -0.0003682300000000, -0.0008384700000000 ] - [ -0.0004473000000000, -0.0003106900000000, -0.0005417500000000 ] - [ 0.0067643600000000, 0.0043729200000000, 0.0073268000000000 ] - [ -0.0040463100000000, 0.0004116900000000, 0.0062245000000000 ] - [ -0.0435557000000000, 0.0252051600000000, -0.2556025700000000 ] - [ -0.0048932800000000, 0.0005253000000000, -0.0012800000000000 ] - [ 0.0011949400000000, -0.0004485700000000, 0.0004945800000000 ] - [ 0.0008069800000000, -0.0003139200000000, 0.0009325000000000 ] - [ 0.0001104800000000, 0.0009844900000000, -0.0016105000000000 ] - [ 0.0014426300000000, 0.0007414400000000, -0.0017390200000000 ] - [ -0.0061752600000000, 0.0009526100000000, 0.0155130600000000 ] - [ 0.0007055000000000, 0.0029562300000000, -0.0077726100000000 ] - [ -0.0014671600000000, -0.0001435400000000, 0.0032537100000000 ] - [ 0.0004436000000000, 0.0025890200000000, -0.0050357200000000 ] - [ 0.0004797200000000, -0.0034431600000000, -0.0022451100000000 ] - [ -0.0018771100000000, -0.0043287200000000, -0.0020074500000000 ] - [ -0.0006564900000000, 0.0004635500000000, 0.0004479500000000 ] - [ 0.0018585800000000, -0.0000819400000000, 0.0006387500000000 ] - [ 0.0204189000000000, -0.0457204700000000, -0.0468029800000000 ] - [ -0.0022024900000000, 0.0013476400000000, 0.0008568400000000 ] - [ 0.0012828600000000, 0.0002747800000000, -0.0008946000000000 ] - [ -0.0015456700000000, 0.0023282500000000, 0.0013034600000000 ] - [ -0.0108727900000000, -0.0106976900000000, 0.0059638700000000 ] - [ 0.0025862800000000, 0.0007053600000000, 0.0010532000000000 ] - [ 0.0035811500000000, -0.0152627600000000, 0.0012318000000000 ] - [ -0.0018190000000000, 0.0008729300000000, -0.0007402200000000 ] - [ -0.0026383100000000, -0.0006944700000000, 0.0018383000000000 ] - [ 0.0103885100000000, 0.0077217600000000, 0.0046692500000000 ] - [ 0.0009776000000000, 0.0018319100000000, 0.0001458400000000 ] - [ -0.0014886400000000, -0.0014826200000000, -0.0008270600000000 ] - [ 0.0100313200000000, -0.0098929700000000, 0.0057218400000000 ] - [ -0.0057240500000000, 0.0020982800000000, 0.0029370700000000 ] - [ -0.0036175800000000, -0.0025578600000000, 0.0002344100000000 ] - [ 0.0116321500000000, 0.0082228800000000, -0.0041050500000000 ] - [ -0.0039779800000000, 0.0044607900000000, 0.0026205200000000 ] - [ 0.0005607400000000, -0.0010253100000000, 0.0013247200000000 ] - [ -0.0012558500000000, -0.0083459700000000, -0.0168969200000000 ] - [ -0.0022372900000000, 0.0056828800000000, 0.0031052300000000 ] - [ -0.0034386100000000, -0.0034089400000000, 0.0050492500000000 ] - [ 0.0013184800000000, -0.0023322800000000, 0.0027889900000000 ] - [ 0.0017741500000000, -0.0015004600000000, -0.0024075200000000 ] - [ -0.0013052800000000, -0.0005826300000000, -0.0003478000000000 ] - [ -0.0005664400000000, -0.0028100900000000, 0.0062039300000000 ] - [ 0.0029907900000000, 0.0008792800000000, 0.0121771000000000 ] - [ 0.0515075900000000, 0.0378599500000000, -0.0048664700000000 ] - [ 0.0158561100000000, -0.0261059600000000, 0.0110264300000000 ] - [ 0.0054633500000000, -0.0029346100000000, -0.0025230600000000 ] - [ -0.0033545900000000, -0.0031355800000000, -0.0017795800000000 ] - [ -0.0009359700000000, -0.0001562300000000, 0.0023346000000000 ] - [ 0.0027595000000000, -0.0000914600000000, 0.0010389400000000 ] - [ 0.0013028200000000, 0.0133335500000000, -0.0626573700000000 ] - [ -0.0003075700000000, 0.0006453700000000, -0.0127140800000000 ] - [ -0.3348185000000000, -0.0668095600000000, 0.5747850000000000 ] - [ 0.0173183200000000, -0.0010504800000000, 0.0001111200000000 ] - [ 0.0003587900000000, 0.0006604900000000, -0.0012647000000000 ] - [ 0.0000461000000000, 0.0007926500000000, -0.0023401000000000 ] - [ 0.0008226600000000, 0.0014004200000000, 0.0025580500000000 ] - [ -0.0000886200000000, 0.0028609100000000, 0.0025972700000000 ] - [ 0.0143898900000000, -0.0067978800000000, -0.0237804200000000 ] - [ -0.0115564100000000, -0.0056459200000000, -0.0003619500000000 ] - [ 0.0034019900000000, 0.0033112800000000, -0.0046297600000000 ] - [ -0.0114174500000000, -0.0325326200000000, -0.0330846200000000 ] - [ -0.0149873100000000, 0.0071743700000000, 0.0042726600000000 ] - [ 0.0049625900000000, 0.0008264400000000, -0.0009080200000000 ] - [ 0.0148974300000000, 0.0083793300000000, -0.0054698300000000 ] - [ -0.0104652000000000, 0.0102921200000000, 0.0016180900000000 ] - [ -0.0015521500000000, 0.0015607500000000, 0.0066788900000000 ] - [ 0.0008751700000000, -0.0060948000000000, -0.0042823200000000 ]- atom: 73 displacement: [ 0.0099999988017808, 0.0000000000000000, 0.0000048953429424 ] forces: - [ -0.0009892200000000, 0.0011940000000000, 0.0016766300000000 ] - [ -0.0036417900000000, -0.0063926400000000, 0.0000570200000000 ] - [ 0.0162813100000000, -0.0166701600000000, -0.0082670600000000 ] - [ -0.0047677600000000, 0.0030893300000000, 0.0005959100000000 ] - [ -0.0013350000000000, -0.0018535000000000, 0.0027356400000000 ] - [ 0.0016606100000000, 0.0004606600000000, -0.0036093400000000 ] - [ -0.0006785500000000, -0.0000219800000000, 0.0012650100000000 ] - [ 0.0000097100000000, -0.0008299200000000, 0.0002008200000000 ] - [ 0.0109252600000000, -0.0078958000000000, 0.0021685100000000 ] - [ -0.0024562900000000, 0.0005197800000000, -0.0002395100000000 ] - [ -0.0052753200000000, -0.0037217300000000, -0.0013990600000000 ] - [ 0.0057146300000000, 0.0140401200000000, 0.0031227000000000 ] - [ -0.0037951300000000, 0.0012203700000000, -0.0029578300000000 ] - [ 0.0026354500000000, -0.0022201500000000, 0.0025151700000000 ] - [ 0.0047362200000000, 0.0029549800000000, -0.0001238300000000 ] - [ -0.0009064000000000, 0.0004971600000000, -0.0008875700000000 ] - [ -0.0005884200000000, -0.0000959000000000, 0.0007793300000000 ] - [ -0.0035267500000000, -0.0028048300000000, -0.0075328700000000 ] - [ 0.0033487900000000, -0.0010782200000000, -0.0015376100000000 ] - [ -0.0000310600000000, -0.0002280300000000, 0.0004776800000000 ] - [ -0.0046702500000000, -0.0086498100000000, 0.0111449500000000 ] - [ -0.0048822500000000, 0.0080694500000000, -0.0142661500000000 ] - [ -0.0010750100000000, 0.0016212200000000, 0.0003742200000000 ] - [ -0.0012831700000000, -0.0002199300000000, 0.0009722200000000 ] - [ -0.0001919900000000, -0.0001149100000000, -0.0010607800000000 ] - [ 0.0005272600000000, -0.0009128900000000, 0.0003874100000000 ] - [ 0.0004388000000000, 0.0018665100000000, 0.0090185400000000 ] - [ -0.0020443000000000, -0.0031650400000000, -0.0088903000000000 ] - [ 0.0031014800000000, -0.0011256800000000, 0.0002560900000000 ] - [ -0.0011138600000000, 0.0005264800000000, 0.0002261400000000 ] - [ -0.0046956100000000, 0.0015719800000000, -0.0002209700000000 ] - [ 0.0542857500000000, 0.0141404000000000, 0.0408686400000000 ] - [ 0.0003186000000000, -0.0000113000000000, 0.0006655300000000 ] - [ 0.0000595200000000, 0.0006291700000000, 0.0001637900000000 ] - [ 0.0019450300000000, 0.0022781200000000, -0.0030930600000000 ] - [ -0.0010858500000000, 0.0003297100000000, 0.0003425600000000 ] - [ -0.0002473300000000, -0.0005514700000000, -0.0003030100000000 ] - [ 0.0006168700000000, -0.0020139100000000, -0.0002514700000000 ] - [ 0.2838219300000000, 0.1204259700000000, -0.0585887900000000 ] - [ -0.0188333300000000, -0.0040226600000000, 0.0002465100000000 ] - [ -0.0007530900000000, -0.0001420600000000, -0.0001456100000000 ] - [ -0.0004978000000000, -0.0007735900000000, 0.0002666700000000 ] - [ 0.0036711000000000, -0.0041285700000000, 0.0042282600000000 ] - [ -0.0038878100000000, 0.0035520800000000, -0.0035877500000000 ] - [ 0.0008615200000000, -0.0004374100000000, 0.0002485200000000 ] - [ -0.0005972300000000, -0.0007216100000000, -0.0000422600000000 ] - [ -0.0207158700000000, 0.0048997900000000, 0.0006753200000000 ] - [ 0.2208319500000000, -0.1616764100000000, -0.0564557500000000 ] - [ 0.0009769900000000, -0.0003491100000000, -0.0002527200000000 ] - [ -0.0000482400000000, -0.0007917700000000, -0.0012086400000000 ] - [ -0.0038117100000000, 0.0003483200000000, -0.0215963600000000 ] - [ -0.0068441900000000, -0.0003857400000000, 0.0098753900000000 ] - [ -0.0011833400000000, -0.0009538700000000, 0.0000203800000000 ] - [ 0.0003292600000000, -0.0005845500000000, -0.0004985700000000 ] - [ 0.0497742800000000, -0.0144212500000000, 0.0120505900000000 ] - [ -0.0040740800000000, 0.0000029900000000, 0.0003965800000000 ] - [ -0.0036550200000000, -0.0002742100000000, -0.0042409300000000 ] - [ 0.0038604400000000, 0.0034621400000000, -0.0002443700000000 ] - [ 0.0463423800000000, 0.0551920900000000, 0.0191679000000000 ] - [ 0.0495762100000000, -0.0371585300000000, -0.0027934900000000 ] - [ 0.0032942200000000, 0.0005955900000000, 0.0008664600000000 ] - [ -0.0020855300000000, 0.0017374400000000, 0.0004617900000000 ] - [ -0.0084877700000000, 0.0013260000000000, 0.0035831600000000 ] - [ 0.0039612400000000, -0.0024679700000000, 0.0047887500000000 ] - [ 0.0043019300000000, -0.0032126900000000, -0.0010550800000000 ] - [ -0.0042761800000000, 0.0271791700000000, 0.0112201700000000 ] - [ -0.0218327400000000, -0.0017224200000000, 0.0040635200000000 ] - [ 0.0083422700000000, 0.0002354400000000, -0.0011558300000000 ] - [ -0.0008255600000000, 0.0048013600000000, -0.0181497100000000 ] - [ 0.0043369800000000, 0.0007748000000000, 0.0144464400000000 ] - [ 0.0011191500000000, -0.0030452300000000, 0.0028503500000000 ] - [ -0.0019627700000000, 0.0015717000000000, -0.0018200300000000 ] - [ -0.6743980900000000, 0.0232403600000000, 0.0568597500000000 ] - [ 0.0284223000000000, -0.0022400600000000, -0.0036939500000000 ] - [ 0.0013812600000000, 0.0007971500000000, 0.0000733900000000 ] - [ -0.0016303000000000, 0.0007375400000000, -0.0007801200000000 ] - [ 0.0035656200000000, -0.0081235200000000, 0.0222740200000000 ] - [ 0.0040725100000000, 0.0003694300000000, -0.0192434400000000 ] - [ -0.0000531400000000, 0.0011439100000000, -0.0002351700000000 ] - [ 0.0002862700000000, 0.0008083400000000, 0.0017505300000000 ]- atom: 73 displacement: [ -0.0099999988017808, 0.0000000000000000, -0.0000048953429424 ] forces: - [ 0.0001228800000000, -0.0007816300000000, -0.0002922400000000 ] - [ 0.0027045700000000, 0.0067263200000000, 0.0013367700000000 ] - [ -0.0153797300000000, 0.0170131300000000, 0.0068570900000000 ] - [ 0.0056391200000000, -0.0027141700000000, -0.0019816800000000 ] - [ 0.0022128400000000, 0.0014609600000000, -0.0041239900000000 ] - [ -0.0007864300000000, -0.0008582900000000, 0.0022237600000000 ] - [ -0.0001721900000000, -0.0003828600000000, 0.0001200100000000 ] - [ -0.0008883400000000, 0.0004432700000000, 0.0011716900000000 ] - [ -0.0101132200000000, 0.0074806900000000, -0.0016242200000000 ] - [ 0.0031890400000000, -0.0008859200000000, 0.0007808000000000 ] - [ 0.0045287000000000, 0.0033235100000000, 0.0008621800000000 ] - [ -0.0064456400000000, -0.0143003500000000, -0.0036290800000000 ] - [ 0.0030487900000000, -0.0008417000000000, 0.0024169400000000 ] - [ -0.0033809000000000, 0.0026092100000000, -0.0030626000000000 ] - [ -0.0040119600000000, -0.0025844000000000, 0.0006675600000000 ] - [ 0.0016554300000000, -0.0001031300000000, 0.0014159600000000 ] - [ -0.0013076100000000, -0.0006857400000000, -0.0007752400000000 ] - [ 0.0015999000000000, 0.0019753800000000, 0.0074127600000000 ] - [ -0.0014417800000000, 0.0002944200000000, 0.0015625100000000 ] - [ 0.0019238000000000, -0.0005606700000000, -0.0004742800000000 ] - [ 0.0066225100000000, 0.0094952500000000, -0.0112020700000000 ] - [ 0.0067742500000000, -0.0073029400000000, 0.0142655800000000 ] - [ -0.0008091600000000, -0.0008327000000000, -0.0003835500000000 ] - [ -0.0006175300000000, 0.0010139700000000, -0.0009835900000000 ] - [ 0.0002829900000000, -0.0015021500000000, 0.0009144300000000 ] - [ -0.0004405200000000, -0.0007063900000000, -0.0005324600000000 ] - [ -0.0005232900000000, -0.0035087100000000, -0.0088802600000000 ] - [ 0.0019625100000000, 0.0015351300000000, 0.0090312700000000 ] - [ -0.0031826800000000, 0.0027686100000000, -0.0001249700000000 ] - [ 0.0010242000000000, 0.0010910700000000, -0.0000817300000000 ] - [ 0.0047788100000000, 0.0000798700000000, 0.0000967600000000 ] - [ -0.0537178000000000, -0.0124302800000000, -0.0411325000000000 ] - [ -0.0002293600000000, 0.0012724100000000, 0.0002923300000000 ] - [ 0.0000311100000000, 0.0006283000000000, 0.0007902000000000 ] - [ -0.0019909800000000, -0.0009922400000000, 0.0021781000000000 ] - [ 0.0009944700000000, 0.0009239000000000, -0.0013155000000000 ] - [ 0.0001588100000000, -0.0007020600000000, -0.0006530900000000 ] - [ -0.0007119900000000, 0.0007562600000000, -0.0007051000000000 ] - [ -0.2679190100000000, -0.1121411000000000, 0.0551429400000000 ] - [ 0.0190081700000000, 0.0027380500000000, 0.0006928300000000 ] - [ 0.0000148500000000, 0.0001513900000000, 0.0003051900000000 ] - [ -0.0002416500000000, 0.0007840900000000, -0.0001090800000000 ] - [ -0.0029583700000000, 0.0041418100000000, -0.0044051700000000 ] - [ 0.0046254900000000, -0.0035374500000000, 0.0034012000000000 ] - [ -0.0001165100000000, 0.0004334600000000, -0.0004092800000000 ] - [ 0.0013374300000000, 0.0007196300000000, -0.0001164000000000 ] - [ 0.0199650300000000, -0.0049454200000000, -0.0005155300000000 ] - [ -0.2294416200000000, 0.1714074200000000, 0.0604082500000000 ] - [ -0.0000185300000000, 0.0009481700000000, 0.0003469200000000 ] - [ 0.0009994400000000, 0.0013877000000000, 0.0012976300000000 ] - [ 0.0028337900000000, 0.0002241600000000, 0.0214333000000000 ] - [ 0.0058637300000000, 0.0009613600000000, -0.0099617000000000 ] - [ 0.0002304100000000, 0.0003607300000000, -0.0001086800000000 ] - [ -0.0012848900000000, -0.0000123300000000, 0.0004008700000000 ] - [ -0.0492438300000000, 0.0152321500000000, -0.0133767000000000 ] - [ 0.0050344900000000, -0.0005833700000000, -0.0003332600000000 ] - [ 0.0019976900000000, -0.0000070500000000, 0.0023539900000000 ] - [ -0.0054560500000000, -0.0037441800000000, -0.0016355800000000 ] - [ -0.0444919700000000, -0.0550662300000000, -0.0173890700000000 ] - [ -0.0478501600000000, 0.0371983200000000, 0.0047974400000000 ] - [ -0.0016704800000000, -0.0003311700000000, 0.0009982800000000 ] - [ 0.0037223200000000, -0.0014706200000000, 0.0014280100000000 ] - [ 0.0068955300000000, -0.0010251600000000, -0.0054596600000000 ] - [ -0.0055844200000000, 0.0027050300000000, -0.0065938600000000 ] - [ -0.0046276400000000, 0.0036046100000000, 0.0018100000000000 ] - [ 0.0039731400000000, -0.0266570000000000, -0.0103897900000000 ] - [ 0.0220672300000000, 0.0021333700000000, -0.0048343200000000 ] - [ -0.0080053400000000, 0.0002188700000000, 0.0003782900000000 ] - [ 0.0011550100000000, -0.0052191900000000, 0.0173995300000000 ] - [ -0.0040045700000000, -0.0011830700000000, -0.0152442400000000 ] - [ -0.0014603200000000, 0.0025864000000000, -0.0020565200000000 ] - [ 0.0016417700000000, -0.0020300600000000, 0.0026153700000000 ] - [ 0.6658523300000000, -0.0451172300000000, -0.0545779000000000 ] - [ -0.0286747300000000, 0.0016705900000000, 0.0038486100000000 ] - [ -0.0011635800000000, -0.0013149800000000, -0.0002178300000000 ] - [ 0.0018503800000000, -0.0012571400000000, 0.0006536100000000 ] - [ -0.0034064500000000, 0.0085875900000000, -0.0223227400000000 ] - [ -0.0038819400000000, 0.0001710500000000, 0.0191409100000000 ] - [ -0.0001639500000000, -0.0006396300000000, 0.0003726100000000 ] - [ -0.0005058400000000, -0.0002988900000000, -0.0016070100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026427400000000, 0.0014299200000000, 0.0003174500000000 ] - [ -0.0091259600000000, -0.0119505000000000, -0.0010318600000000 ] - [ 0.0000684200000000, -0.0102388900000000, -0.0048594300000000 ] - [ 0.0034982100000000, -0.0026770900000000, -0.0018369800000000 ] - [ -0.0002235900000000, -0.0019468200000000, -0.0002200200000000 ] - [ -0.0003756500000000, -0.0018989700000000, 0.0016818800000000 ] - [ 0.0048585500000000, -0.0072024400000000, 0.0045179700000000 ] - [ -0.0020392000000000, 0.0010082800000000, 0.0000109000000000 ] - [ 0.0081148100000000, -0.0116816300000000, -0.0027432000000000 ] - [ -0.0025572100000000, 0.0011404200000000, 0.0002109900000000 ] - [ -0.0033765800000000, -0.0028278200000000, -0.0014559100000000 ] - [ -0.0003672900000000, -0.0094436100000000, -0.0028607300000000 ] - [ 0.0019049500000000, -0.0013874300000000, 0.0018158800000000 ] - [ 0.0000916900000000, -0.0022062600000000, 0.0018989200000000 ] - [ -0.0086284500000000, -0.0073202800000000, 0.0035133700000000 ] - [ 0.0029631900000000, 0.0008933800000000, -0.0001442100000000 ] - [ -0.0012015000000000, 0.0012506400000000, 0.0031834000000000 ] - [ -0.0025349500000000, -0.0020561800000000, -0.0113958800000000 ] - [ 0.0005628700000000, -0.0045632200000000, -0.0058359400000000 ] - [ 0.0009634900000000, -0.0028992300000000, -0.0014337400000000 ] - [ -0.0012249000000000, -0.0016289700000000, 0.0044993500000000 ] - [ 0.0071086800000000, -0.0056854600000000, 0.0135002900000000 ] - [ 0.0026322800000000, -0.0050276300000000, -0.0000146800000000 ] - [ -0.0032316700000000, -0.0018071700000000, -0.0004349200000000 ] - [ 0.0013698600000000, -0.0069582900000000, 0.0032782300000000 ] - [ -0.0006925600000000, -0.0066110700000000, 0.0027682400000000 ] - [ -0.0002026000000000, 0.0050976300000000, 0.0040251100000000 ] - [ 0.0014417200000000, 0.0070906300000000, 0.0029170200000000 ] - [ 0.0010734200000000, -0.0090719200000000, 0.0047737500000000 ] - [ 0.0004805600000000, -0.0042674700000000, 0.0025815700000000 ] - [ 0.0010292500000000, 0.0096770400000000, 0.0053420200000000 ] - [ 0.0194809400000000, 0.0745340800000000, 0.0655142300000000 ] - [ 0.0024509400000000, -0.0038937500000000, 0.0001647200000000 ] - [ 0.0021915100000000, -0.0035471200000000, 0.0007517100000000 ] - [ 0.0100784500000000, 0.0150000400000000, 0.0114486800000000 ] - [ 0.0025703600000000, 0.0077295300000000, -0.0028712600000000 ] - [ 0.0026495800000000, -0.0047802900000000, -0.0006030500000000 ] - [ 0.0023575000000000, -0.0069611100000000, 0.0002467600000000 ] - [ 0.1235310300000000, 0.1114251200000000, -0.0274574700000000 ] - [ 0.0145258800000000, 0.0079715000000000, 0.0037243900000000 ] - [ -0.0030958700000000, -0.0049568500000000, 0.0002940700000000 ] - [ -0.0024581500000000, -0.0045074700000000, 0.0006030900000000 ] - [ -0.0149490500000000, 0.0161646500000000, 0.0046326000000000 ] - [ -0.0004549900000000, 0.0072840800000000, -0.0009126000000000 ] - [ -0.0028112200000000, -0.0072256600000000, 0.0008873100000000 ] - [ -0.0016225100000000, -0.0036628700000000, 0.0002247700000000 ] - [ -0.0085578300000000, 0.0041464200000000, -0.0016945600000000 ] - [ -0.1699358900000000, 0.1944038800000000, 0.0521774900000000 ] - [ 0.0015495600000000, -0.0041415000000000, -0.0019296900000000 ] - [ -0.0003489900000000, -0.0041705500000000, -0.0019579000000000 ] - [ -0.0038020800000000, 0.0078958700000000, -0.0152736200000000 ] - [ 0.0069371100000000, 0.0061972900000000, -0.0130113900000000 ] - [ -0.0004668000000000, -0.0037668900000000, -0.0011507000000000 ] - [ -0.0005311900000000, -0.0049216900000000, -0.0005112600000000 ] - [ -0.0157635000000000, 0.2016921000000000, -0.1427922300000000 ] - [ 0.0010181700000000, 0.0061952100000000, -0.0044628200000000 ] - [ -0.0087706700000000, 0.0144219900000000, 0.0007647400000000 ] - [ 0.0082719600000000, 0.0116259300000000, 0.0005045500000000 ] - [ 0.0346293400000000, 0.0233203200000000, 0.0095264100000000 ] - [ -0.0439585100000000, 0.0307730400000000, 0.0043788800000000 ] - [ 0.0008282000000000, 0.0097358800000000, 0.0046795100000000 ] - [ 0.0007817300000000, 0.0098609300000000, 0.0006609500000000 ] - [ 0.0135237300000000, 0.0114559500000000, -0.0522490600000000 ] - [ -0.0035020800000000, -0.0096794500000000, 0.0091720600000000 ] - [ -0.0002704400000000, -0.0091722900000000, -0.0038113300000000 ] - [ 0.0069778000000000, 0.0494462600000000, 0.0422224800000000 ] - [ 0.0002047400000000, 0.0237956100000000, 0.0083516300000000 ] - [ 0.0002797900000000, 0.0085495100000000, 0.0009339300000000 ] - [ 0.0019830400000000, 0.0002932700000000, -0.0087351400000000 ] - [ -0.0035854300000000, -0.0036008200000000, -0.0143563400000000 ] - [ -0.0096821500000000, 0.0115517300000000, -0.0037552400000000 ] - [ 0.0096768900000000, 0.0070012400000000, -0.0010749100000000 ] - [ 0.0366747200000000, -0.6707569799999999, 0.0448854000000000 ] - [ -0.0020606300000000, -0.0189415400000000, -0.0000779500000000 ] - [ -0.0009423800000000, 0.0082392300000000, -0.0015935900000000 ] - [ -0.0008926300000000, 0.0139407000000000, -0.0044075700000000 ] - [ -0.0082627000000000, -0.0282565900000000, 0.0072900600000000 ] - [ 0.0001919100000000, -0.0242145600000000, 0.0068640700000000 ] - [ -0.0010019300000000, 0.0099446400000000, -0.0011071000000000 ] - [ -0.0006598900000000, 0.0103324200000000, -0.0016765000000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035302300000000, -0.0010554000000000, 0.0010660000000000 ] - [ 0.0082546900000000, 0.0123042600000000, 0.0024613100000000 ] - [ 0.0007743000000000, 0.0105916000000000, 0.0034383000000000 ] - [ -0.0026317600000000, 0.0030925700000000, 0.0004633000000000 ] - [ 0.0010998000000000, 0.0015654800000000, -0.0011564100000000 ] - [ 0.0012532700000000, 0.0015148200000000, -0.0030585900000000 ] - [ -0.0056797500000000, 0.0067314600000000, -0.0031405100000000 ] - [ 0.0011917600000000, -0.0014241400000000, 0.0013557000000000 ] - [ -0.0073090200000000, 0.0112447100000000, 0.0033316200000000 ] - [ 0.0033064300000000, -0.0015434200000000, 0.0003327700000000 ] - [ 0.0026217200000000, 0.0024519700000000, 0.0009137600000000 ] - [ -0.0003161200000000, 0.0090322000000000, 0.0023000500000000 ] - [ -0.0026481900000000, 0.0017815900000000, -0.0023571200000000 ] - [ -0.0008423200000000, 0.0026007100000000, -0.0024247200000000 ] - [ 0.0093798100000000, 0.0076886800000000, -0.0030120100000000 ] - [ -0.0022447100000000, -0.0005298900000000, 0.0006647600000000 ] - [ -0.0006924100000000, -0.0020526700000000, -0.0031868400000000 ] - [ 0.0006247800000000, 0.0011785100000000, 0.0112963500000000 ] - [ 0.0013330100000000, 0.0037614200000000, 0.0057959400000000 ] - [ 0.0009280300000000, 0.0021139900000000, 0.0014397000000000 ] - [ 0.0031003000000000, 0.0024430200000000, -0.0044778000000000 ] - [ -0.0051736400000000, 0.0064927600000000, -0.0134928200000000 ] - [ -0.0045595500000000, 0.0058336000000000, -0.0000156100000000 ] - [ 0.0013464500000000, 0.0025918100000000, 0.0004252700000000 ] - [ -0.0012784200000000, 0.0053265900000000, -0.0034238100000000 ] - [ 0.0007876000000000, 0.0049811200000000, -0.0029025900000000 ] - [ 0.0001204600000000, -0.0066833400000000, -0.0038645600000000 ] - [ -0.0015270900000000, -0.0086829700000000, -0.0027636600000000 ] - [ -0.0011554200000000, 0.0106661800000000, -0.0046242300000000 ] - [ -0.0005746700000000, 0.0058903700000000, -0.0024440900000000 ] - [ -0.0009432200000000, -0.0080884400000000, -0.0054984600000000 ] - [ -0.0201687200000000, -0.0733440700000000, -0.0679397700000000 ] - [ -0.0023648700000000, 0.0051480300000000, 0.0007914700000000 ] - [ -0.0021087700000000, 0.0048043500000000, 0.0002108400000000 ] - [ -0.0101462400000000, -0.0137053000000000, -0.0123881700000000 ] - [ -0.0026594400000000, -0.0064799400000000, 0.0019100600000000 ] - [ -0.0027379900000000, 0.0035209500000000, -0.0003551200000000 ] - [ -0.0024284700000000, 0.0056928200000000, -0.0012021800000000 ] - [ -0.1201518500000000, -0.1125119500000000, 0.0273691900000000 ] - [ -0.0144813600000000, -0.0092469600000000, -0.0027912800000000 ] - [ 0.0023594900000000, 0.0049638500000000, -0.0001392200000000 ] - [ 0.0017248500000000, 0.0045162600000000, -0.0004424200000000 ] - [ 0.0157039700000000, -0.0161755800000000, -0.0048127000000000 ] - [ 0.0011892700000000, -0.0072654400000000, 0.0007590100000000 ] - [ 0.0035393100000000, 0.0072118600000000, -0.0010396700000000 ] - [ 0.0023532900000000, 0.0036458400000000, -0.0003812400000000 ] - [ 0.0078722200000000, -0.0041446100000000, 0.0018761200000000 ] - [ 0.1603616000000000, -0.1885944400000000, -0.0488855200000000 ] - [ -0.0005973400000000, 0.0047307100000000, 0.0020169900000000 ] - [ 0.0013068700000000, 0.0047599700000000, 0.0020510600000000 ] - [ 0.0028122600000000, -0.0072397000000000, 0.0151737700000000 ] - [ -0.0079444200000000, -0.0055857800000000, 0.0130062100000000 ] - [ -0.0004898400000000, 0.0031747400000000, 0.0010628300000000 ] - [ -0.0004214800000000, 0.0043262200000000, 0.0004359900000000 ] - [ 0.0179662700000000, -0.2100955600000000, 0.1526743000000000 ] - [ -0.0000663800000000, -0.0068073500000000, 0.0045604500000000 ] - [ 0.0071801900000000, -0.0146965700000000, -0.0026653900000000 ] - [ -0.0099398400000000, -0.0118834300000000, -0.0023924900000000 ] - [ -0.0326603300000000, -0.0236797500000000, -0.0075807800000000 ] - [ 0.0453510900000000, -0.0311789200000000, -0.0024144800000000 ] - [ 0.0007978600000000, -0.0094714200000000, -0.0027717500000000 ] - [ 0.0008457500000000, -0.0095996300000000, 0.0012000500000000 ] - [ -0.0151285100000000, -0.0111953600000000, 0.0505941500000000 ] - [ 0.0018676200000000, 0.0099796200000000, -0.0110236700000000 ] - [ -0.0000570600000000, 0.0096560000000000, 0.0045933700000000 ] - [ -0.0074120200000000, -0.0488679300000000, -0.0418446500000000 ] - [ 0.0000745800000000, -0.0232401900000000, -0.0090350900000000 ] - [ 0.0000611200000000, -0.0081303200000000, -0.0017214100000000 ] - [ -0.0016444200000000, -0.0007938200000000, 0.0079169200000000 ] - [ 0.0039033800000000, 0.0031343200000000, 0.0135343400000000 ] - [ 0.0093845000000000, -0.0119529300000000, 0.0046245200000000 ] - [ -0.0100481400000000, -0.0074215900000000, 0.0018691600000000 ] - [ -0.0318075100000000, 0.6727316300000000, -0.0543207300000000 ] - [ 0.0018493800000000, 0.0184612200000000, 0.0002231800000000 ] - [ 0.0011676400000000, -0.0087480900000000, 0.0014511900000000 ] - [ 0.0010972900000000, -0.0144352500000000, 0.0042400200000000 ] - [ 0.0084540600000000, 0.0286928000000000, -0.0074606700000000 ] - [ -0.0000000800000000, 0.0247578700000000, -0.0070414600000000 ] - [ 0.0007801400000000, -0.0094259600000000, 0.0012473700000000 ] - [ 0.0004451700000000, -0.0098103300000000, 0.0018162600000000 ]- atom: 73 displacement: [ -0.0051362073135935, 0.0000000000000000, 0.0085801733334350 ] forces: - [ 0.0017503100000000, 0.0001579700000000, 0.0000360200000000 ] - [ -0.0126270600000000, -0.0179208100000000, 0.0056303100000000 ] - [ -0.0108563800000000, 0.0110006800000000, 0.0057816100000000 ] - [ 0.0041349200000000, -0.0020765100000000, -0.0012854400000000 ] - [ 0.0024238400000000, 0.0008574600000000, -0.0034463200000000 ] - [ -0.0012315100000000, -0.0010627800000000, 0.0011978600000000 ] - [ -0.0058263500000000, 0.0066911500000000, -0.0021685400000000 ] - [ 0.0036169200000000, -0.0009654800000000, -0.0012948400000000 ] - [ 0.0105032100000000, -0.0162940200000000, 0.0001714300000000 ] - [ -0.0015072300000000, 0.0002208200000000, -0.0007512700000000 ] - [ 0.0016531000000000, 0.0010673200000000, 0.0008141100000000 ] - [ -0.0049560300000000, -0.0120088700000000, -0.0029228200000000 ] - [ 0.0016477300000000, -0.0007812600000000, 0.0013401800000000 ] - [ -0.0012122900000000, 0.0023184800000000, -0.0026063700000000 ] - [ 0.0079021000000000, 0.0075561800000000, -0.0012808200000000 ] - [ -0.0020867400000000, -0.0003209900000000, -0.0008801900000000 ] - [ -0.0009096000000000, 0.0015004000000000, -0.0061260700000000 ] - [ -0.0020757800000000, -0.0033817500000000, -0.0146642600000000 ] - [ -0.0006033100000000, -0.0010087900000000, 0.0005637000000000 ] - [ 0.0015088900000000, -0.0009222100000000, -0.0010394800000000 ] - [ 0.0044142300000000, 0.0053099600000000, -0.0069034600000000 ] - [ 0.0049655600000000, -0.0061982300000000, 0.0141024900000000 ] - [ -0.0028047000000000, 0.0029613600000000, 0.0048365100000000 ] - [ -0.0004182600000000, 0.0010954800000000, 0.0030096400000000 ] - [ -0.0008970000000000, 0.0008341800000000, -0.0009266600000000 ] - [ 0.0011776300000000, 0.0011980900000000, -0.0014088200000000 ] - [ 0.0015954800000000, -0.0043864300000000, -0.0090534800000000 ] - [ -0.0021366500000000, -0.0011084300000000, 0.0011374900000000 ] - [ -0.0019277600000000, -0.0000264400000000, 0.0017039800000000 ] - [ 0.0005532100000000, 0.0000886900000000, 0.0004261900000000 ] - [ 0.0031658800000000, 0.0014322700000000, 0.0000033900000000 ] - [ 0.0090264600000000, 0.0385920300000000, 0.1220798700000000 ] - [ 0.0005033500000000, 0.0003381500000000, -0.0003240600000000 ] - [ -0.0000971400000000, 0.0002141600000000, 0.0000355000000000 ] - [ -0.0085636200000000, -0.0040020200000000, -0.0085463800000000 ] - [ 0.0064997600000000, 0.0024990500000000, -0.0058252100000000 ] - [ 0.0001516900000000, -0.0008117900000000, 0.0000154200000000 ] - [ -0.0001108200000000, -0.0030914700000000, 0.0003377200000000 ] - [ -0.1835898700000000, -0.0770626000000000, 0.0819741000000000 ] - [ 0.0155639700000000, 0.0035767600000000, 0.0024975400000000 ] - [ -0.0009539800000000, -0.0008990500000000, -0.0002610300000000 ] - [ -0.0002331200000000, 0.0003390800000000, -0.0006718200000000 ] - [ 0.0116577300000000, -0.0036976100000000, -0.0107001000000000 ] - [ -0.0041659000000000, 0.0011489100000000, -0.0002567800000000 ] - [ -0.0003816400000000, -0.0028553700000000, 0.0011732600000000 ] - [ 0.0001706500000000, -0.0003376000000000, 0.0002112800000000 ] - [ 0.0150184900000000, -0.0031758100000000, 0.0008728200000000 ] - [ -0.1665396300000000, 0.1311433400000000, 0.0804972400000000 ] - [ 0.0018162200000000, -0.0020133900000000, -0.0024570400000000 ] - [ -0.0004396000000000, -0.0016094300000000, -0.0022091100000000 ] - [ -0.0037968300000000, -0.0017070800000000, 0.0163298100000000 ] - [ 0.0056588200000000, 0.0001570900000000, -0.0072314700000000 ] - [ -0.0000635800000000, -0.0003030500000000, -0.0001912300000000 ] - [ -0.0010802800000000, -0.0010208400000000, -0.0002032200000000 ] - [ -0.0126583100000000, -0.1277956200000000, 0.1636432600000000 ] - [ 0.0029833500000000, -0.0005004500000000, -0.0001436700000000 ] - [ -0.0067725800000000, 0.0082590100000000, -0.0081471300000000 ] - [ 0.0071279900000000, 0.0043914100000000, -0.0026665000000000 ] - [ -0.0245275900000000, -0.0349772400000000, -0.0190511000000000 ] - [ -0.0393405600000000, 0.0294910000000000, 0.0016721900000000 ] - [ -0.0010391000000000, 0.0013612100000000, 0.0021074000000000 ] - [ 0.0033009200000000, -0.0006104300000000, 0.0027324200000000 ] - [ -0.0049240500000000, -0.0264180800000000, 0.0439005100000000 ] - [ -0.0024578400000000, -0.0021465500000000, 0.0091947200000000 ] - [ -0.0012118500000000, -0.0004392700000000, 0.0065680100000000 ] - [ 0.0049964400000000, 0.0608987200000000, 0.0297391900000000 ] - [ 0.0157853800000000, 0.0065799200000000, -0.0044217500000000 ] - [ -0.0044823000000000, 0.0016299500000000, 0.0005669900000000 ] - [ -0.0029402800000000, -0.0040006400000000, 0.0119691900000000 ] - [ 0.0001415000000000, -0.0022929000000000, -0.0084229700000000 ] - [ 0.0083112800000000, -0.0068335100000000, -0.0019974200000000 ] - [ -0.0102027900000000, -0.0046918600000000, -0.0006716800000000 ] - [ 0.3912344300000000, 0.0233925600000000, -0.5054446500000001 ] - [ -0.0180088800000000, 0.0006376700000000, 0.0015901900000000 ] - [ -0.0004185500000000, 0.0005104300000000, -0.0008034900000000 ] - [ 0.0003891000000000, 0.0029412000000000, -0.0014151700000000 ] - [ 0.0174776400000000, 0.0108705400000000, -0.0001225600000000 ] - [ -0.0184753900000000, 0.0062110500000000, 0.0220748600000000 ] - [ -0.0003990600000000, 0.0008080100000000, 0.0037130100000000 ] - [ 0.0011236000000000, 0.0014749500000000, 0.0026929600000000 ]- atom: 73 displacement: [ 0.0051362073135935, 0.0000000000000000, -0.0085801733334350 ] forces: - [ -0.0026260000000000, 0.0002429600000000, 0.0013358900000000 ] - [ 0.0117470800000000, 0.0182879600000000, -0.0042338100000000 ] - [ 0.0117370000000000, -0.0106026200000000, -0.0071722000000000 ] - [ -0.0032646300000000, 0.0024683600000000, -0.0000835100000000 ] - [ -0.0015685200000000, -0.0012743100000000, 0.0020671500000000 ] - [ 0.0021188700000000, 0.0006715900000000, -0.0025914600000000 ] - [ 0.0049841100000000, -0.0071329200000000, 0.0036042000000000 ] - [ -0.0044878400000000, 0.0005886400000000, 0.0026793700000000 ] - [ -0.0097057800000000, 0.0159280500000000, 0.0003562300000000 ] - [ 0.0022356000000000, -0.0005987900000000, 0.0012866400000000 ] - [ -0.0023929600000000, -0.0014507800000000, -0.0013535100000000 ] - [ 0.0042191900000000, 0.0117020100000000, 0.0024266200000000 ] - [ -0.0024100700000000, 0.0011679300000000, -0.0018899500000000 ] - [ 0.0004820400000000, -0.0019638700000000, 0.0020688400000000 ] - [ -0.0071803500000000, -0.0071661400000000, 0.0018340000000000 ] - [ 0.0028410300000000, 0.0007063000000000, 0.0014161100000000 ] - [ -0.0010035500000000, -0.0022674200000000, 0.0060969000000000 ] - [ 0.0001993400000000, 0.0025621900000000, 0.0145298800000000 ] - [ 0.0025005100000000, 0.0002231400000000, -0.0005360100000000 ] - [ 0.0003904900000000, 0.0001316200000000, 0.0010564000000000 ] - [ -0.0025135900000000, -0.0045323500000000, 0.0068506000000000 ] - [ -0.0030780000000000, 0.0070104500000000, -0.0141527000000000 ] - [ 0.0009189300000000, -0.0021899400000000, -0.0048619300000000 ] - [ -0.0014791400000000, -0.0003064000000000, -0.0030123200000000 ] - [ 0.0009903700000000, -0.0024668100000000, 0.0007879300000000 ] - [ -0.0010905600000000, -0.0028212200000000, 0.0012678500000000 ] - [ -0.0016871000000000, 0.0027109200000000, 0.0092006700000000 ] - [ 0.0020465500000000, -0.0005268100000000, -0.0010033300000000 ] - [ 0.0018393200000000, 0.0016638700000000, -0.0015697900000000 ] - [ -0.0006427000000000, 0.0015310700000000, -0.0002823500000000 ] - [ -0.0030949200000000, 0.0001804000000000, -0.0001620200000000 ] - [ -0.0110972000000000, -0.0395999300000000, -0.1263727100000000 ] - [ -0.0004164600000000, 0.0009176600000000, 0.0012827600000000 ] - [ 0.0001929100000000, 0.0010389900000000, 0.0009207300000000 ] - [ 0.0084158500000000, 0.0052769800000000, 0.0076123600000000 ] - [ -0.0065526200000000, -0.0012211900000000, 0.0048959400000000 ] - [ -0.0002380000000000, -0.0004475200000000, -0.0009760000000000 ] - [ 0.0000190600000000, 0.0018327400000000, -0.0012948600000000 ] - [ 0.1913334500000000, 0.0802588200000000, -0.0811517600000000 ] - [ -0.0155000400000000, -0.0048655700000000, -0.0015412000000000 ] - [ 0.0002122600000000, 0.0009048200000000, 0.0004213600000000 ] - [ -0.0005070400000000, -0.0003370900000000, 0.0008319000000000 ] - [ -0.0108863100000000, 0.0037102100000000, 0.0104864300000000 ] - [ 0.0049145900000000, -0.0011339600000000, 0.0001137200000000 ] - [ 0.0011255300000000, 0.0028534800000000, -0.0013387300000000 ] - [ 0.0005668900000000, 0.0003291900000000, -0.0003698900000000 ] - [ -0.0156890400000000, 0.0031473700000000, -0.0007076800000000 ] - [ 0.1602419700000000, -0.1250185400000000, -0.0797922700000000 ] - [ -0.0008617700000000, 0.0026137900000000, 0.0025490800000000 ] - [ 0.0013945400000000, 0.0022045100000000, 0.0023027000000000 ] - [ 0.0028069100000000, 0.0023021300000000, -0.0164079800000000 ] - [ -0.0065635500000000, 0.0003882600000000, 0.0071692600000000 ] - [ -0.0008938800000000, -0.0002981100000000, 0.0000958900000000 ] - [ 0.0001294700000000, 0.0004205600000000, 0.0001031400000000 ] - [ 0.0151821200000000, 0.1221546300000000, -0.1604972300000000 ] - [ -0.0020190600000000, -0.0001039000000000, 0.0002507100000000 ] - [ 0.0051440000000000, -0.0085504700000000, 0.0063046400000000 ] - [ -0.0087479200000000, -0.0046596600000000, 0.0007845100000000 ] - [ 0.0262263600000000, 0.0347711200000000, 0.0209829100000000 ] - [ 0.0409828900000000, -0.0296463900000000, 0.0000520600000000 ] - [ 0.0026935200000000, -0.0010834200000000, -0.0002361900000000 ] - [ -0.0016967400000000, 0.0009010500000000, -0.0008561800000000 ] - [ 0.0035014700000000, 0.0263850300000000, -0.0456874300000000 ] - [ 0.0007642900000000, 0.0023576000000000, -0.0110786500000000 ] - [ 0.0009094800000000, 0.0008599700000000, -0.0057630600000000 ] - [ -0.0055607400000000, -0.0606164500000000, -0.0290371000000000 ] - [ -0.0154898200000000, -0.0061656600000000, 0.0036200800000000 ] - [ 0.0048091100000000, -0.0011873600000000, -0.0013639700000000 ] - [ 0.0032947000000000, 0.0036662400000000, -0.0127366400000000 ] - [ 0.0001966100000000, 0.0018641000000000, 0.0076731000000000 ] - [ -0.0086740500000000, 0.0064344300000000, 0.0027846800000000 ] - [ 0.0098721900000000, 0.0042300600000000, 0.0014440300000000 ] - [ -0.3930138400000000, -0.0265320400000000, 0.5064291000000000 ] - [ 0.0177893700000000, -0.0011124000000000, -0.0014378400000000 ] - [ 0.0006377900000000, -0.0010182600000000, 0.0006678300000000 ] - [ -0.0001702800000000, -0.0034564000000000, 0.0012897100000000 ] - [ -0.0172067500000000, -0.0103726800000000, -0.0000580100000000 ] - [ 0.0185675100000000, -0.0056226700000000, -0.0221828000000000 ] - [ 0.0001832200000000, -0.0002968200000000, -0.0035797500000000 ] - [ -0.0013476700000000, -0.0009542800000000, -0.0025610700000000 ]