# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/32f5c629-8b09-4003-945e-aded558ed72a/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 CsNaSnF6 / Pbcn (60) / materials id 14380](https://mdr.nims.go.jp/datasets/8eb16b14-1bba-4fdf-a496-4c652659591a) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.327214480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.382579509999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.161206060000000 ] # c points: - symbol: F # 1 coordinates: [ 0.286105400000000, 0.720313370000000, 0.878875780000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.786105400000000, 0.779686630000000, 0.121124220000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.213894600000000, 0.779686630000000, 0.378875780000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.713894600000000, 0.720313370000000, 0.621124220000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.713894600000000, 0.279686630000000, 0.121124220000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.213894600000000, 0.220313370000000, 0.878875780000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.786105400000000, 0.220313370000000, 0.621124220000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.286105400000000, 0.279686630000000, 0.378875780000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.197815460000000, 0.999389530000000, 0.981118060000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.697815460000000, 0.500610470000000, 0.018881940000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.302184540000000, 0.500610470000000, 0.481118060000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.802184540000000, 0.999389530000000, 0.518881940000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.802184540000000, 0.000610470000000, 0.018881940000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.302184540000000, 0.499389530000000, 0.981118060000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.697815460000000, 0.499389530000000, 0.518881940000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.197815460000000, 0.000610470000000, 0.481118060000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.019779650000000, 0.842887800000000, 0.886343360000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.479832550000000, 0.880915530000000, 0.965642020000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.519779650000000, 0.657112200000000, 0.113656640000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.980220350000000, 0.842887800000000, 0.613656640000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.980220350000000, 0.157112200000000, 0.113656640000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.480220350000000, 0.342887800000000, 0.886343360000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.519779650000000, 0.342887800000000, 0.613656640000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.019779650000000, 0.157112200000000, 0.386343360000000 ] mass: 18.998403 - symbol: F # 25 coordinates: [ 0.212365870000000, 0.418000040000000, 0.762365410000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.712365870000000, 0.081999960000000, 0.237634590000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.287634130000000, 0.081999960000000, 0.262365410000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.787634130000000, 0.418000040000000, 0.737634590000000 ] mass: 18.998403 - symbol: F # 29 coordinates: [ 0.787634130000000, 0.581999960000000, 0.237634590000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.287634130000000, 0.918000040000000, 0.762365410000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.712365870000000, 0.918000040000000, 0.737634590000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.212365870000000, 0.581999960000000, 0.262365410000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.217949890000000, 0.187306140000000, 0.593255510000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.717949890000000, 0.312693860000000, 0.406744490000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.282050110000000, 0.312693860000000, 0.093255510000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.782050110000000, 0.187306140000000, 0.906744490000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.782050110000000, 0.812693860000000, 0.406744490000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.282050110000000, 0.687306140000000, 0.593255510000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.717949890000000, 0.687306140000000, 0.906744490000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.217949890000000, 0.812693860000000, 0.093255510000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.479832550000000, 0.119084470000000, 0.465642020000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.979832550000000, 0.380915530000000, 0.534357980000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.020167450000000, 0.380915530000000, 0.965642020000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.520167450000000, 0.119084470000000, 0.034357980000000 ] mass: 18.998403 - symbol: F # 45 coordinates: [ 0.520167450000000, 0.880915530000000, 0.534357980000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.020167450000000, 0.619084470000000, 0.465642020000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.979832550000000, 0.619084470000000, 0.034357980000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.480220350000000, 0.657112200000000, 0.386343360000000 ] mass: 18.998403 - symbol: Na # 49 coordinates: [ 0.746894570000000, 0.142448470000000, 0.425777690000000 ] mass: 22.989769 - symbol: Na # 50 coordinates: [ 0.246894570000000, 0.357551530000000, 0.574222310000000 ] mass: 22.989769 - symbol: Na # 51 coordinates: [ 0.753105430000000, 0.357551530000000, 0.925777690000000 ] mass: 22.989769 - symbol: Na # 52 coordinates: [ 0.253105430000000, 0.142448470000000, 0.074222310000000 ] mass: 22.989769 - symbol: Na # 53 coordinates: [ 0.253105430000000, 0.857551530000000, 0.574222310000000 ] mass: 22.989769 - symbol: Na # 54 coordinates: [ 0.753105430000000, 0.642448470000000, 0.425777690000000 ] mass: 22.989769 - symbol: Na # 55 coordinates: [ 0.246894570000000, 0.642448470000000, 0.074222310000000 ] mass: 22.989769 - symbol: Na # 56 coordinates: [ 0.746894570000000, 0.857551530000000, 0.925777690000000 ] mass: 22.989769 - symbol: Sn # 57 coordinates: [ 0.250203480000000, 0.137700580000000, 0.425630040000000 ] mass: 118.710000 - symbol: Sn # 58 coordinates: [ 0.749796520000000, 0.137700580000000, 0.074369960000000 ] mass: 118.710000 - symbol: Sn # 59 coordinates: [ 0.249796520000000, 0.362299420000000, 0.925630040000000 ] mass: 118.710000 - symbol: Sn # 60 coordinates: [ 0.249796520000000, 0.637700580000000, 0.425630040000000 ] mass: 118.710000 - symbol: Sn # 61 coordinates: [ 0.750203480000000, 0.637700580000000, 0.074369960000000 ] mass: 118.710000 - symbol: Sn # 62 coordinates: [ 0.749796520000000, 0.862299420000000, 0.574369960000000 ] mass: 118.710000 - symbol: Sn # 63 coordinates: [ 0.250203480000000, 0.862299420000000, 0.925630040000000 ] mass: 118.710000 - symbol: Sn # 64 coordinates: [ 0.750203480000000, 0.362299420000000, 0.574369960000000 ] mass: 118.710000 - symbol: Cs # 65 coordinates: [ 0.500000000000000, 0.120007760000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 66 coordinates: [ 0.000000000000000, 0.379992240000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 67 coordinates: [ 0.500000000000000, 0.879992240000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 68 coordinates: [ 0.000000000000000, 0.068818740000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 69 coordinates: [ 0.500000000000000, 0.431181260000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 70 coordinates: [ 0.000000000000000, 0.931181260000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 71 coordinates: [ 0.500000000000000, 0.568818740000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 72 coordinates: [ 0.000000000000000, 0.620007760000000, 0.750000000000000 ] mass: 132.905452 reciprocal_lattice: # without 2pi - [ 0.120088176232492, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.074724009616588, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.089596052131305 ] # c*unit_cell: lattice: - [ 8.327214480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.382579509999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.161206060000000 ] # c points: - symbol: F # 1 coordinates: [ 0.286105400000000, 0.720313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.786105400000000, 0.779686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.213894600000000, 0.779686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.713894600000000, 0.720313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.713894600000000, 0.279686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.213894600000000, 0.220313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.786105400000000, 0.220313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.286105400000000, 0.279686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.197815460000000, 0.999389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.697815460000000, 0.500610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.302184540000000, 0.500610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.802184540000000, 0.999389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.802184540000000, 0.000610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.302184540000000, 0.499389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.697815460000000, 0.499389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.197815460000000, 0.000610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.019779650000000, 0.842887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.479832550000000, 0.880915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.519779650000000, 0.657112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.980220350000000, 0.842887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.980220350000000, 0.157112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.480220350000000, 0.342887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.519779650000000, 0.342887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.019779650000000, 0.157112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 24 - symbol: F # 25 coordinates: [ 0.212365870000000, 0.418000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.712365870000000, 0.081999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 26 - symbol: F # 27 coordinates: [ 0.287634130000000, 0.081999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.787634130000000, 0.418000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 28 - symbol: F # 29 coordinates: [ 0.787634130000000, 0.581999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.287634130000000, 0.918000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 30 - symbol: F # 31 coordinates: [ 0.712365870000000, 0.918000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.212365870000000, 0.581999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.217949890000000, 0.187306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.717949890000000, 0.312693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.282050110000000, 0.312693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.782050110000000, 0.187306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 36 - symbol: F # 37 coordinates: [ 0.782050110000000, 0.812693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.282050110000000, 0.687306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 38 - symbol: F # 39 coordinates: [ 0.717949890000000, 0.687306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.217949890000000, 0.812693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.479832550000000, 0.119084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.979832550000000, 0.380915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.020167450000000, 0.380915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.520167450000000, 0.119084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.520167450000000, 0.880915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.020167450000000, 0.619084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.979832550000000, 0.619084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.480220350000000, 0.657112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.746894570000000, 0.142448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.246894570000000, 0.357551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.753105430000000, 0.357551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.253105430000000, 0.142448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.253105430000000, 0.857551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.753105430000000, 0.642448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.246894570000000, 0.642448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.746894570000000, 0.857551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 56 - symbol: Sn # 57 coordinates: [ 0.250203480000000, 0.137700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.749796520000000, 0.137700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.249796520000000, 0.362299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.249796520000000, 0.637700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 61 coordinates: [ 0.750203480000000, 0.637700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 61 - symbol: Sn # 62 coordinates: [ 0.749796520000000, 0.862299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 62 - symbol: Sn # 63 coordinates: [ 0.250203480000000, 0.862299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 63 - symbol: Sn # 64 coordinates: [ 0.750203480000000, 0.362299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 64 - symbol: Cs # 65 coordinates: [ 0.500000000000000, 0.120007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 65 - symbol: Cs # 66 coordinates: [ 0.000000000000000, 0.379992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 66 - symbol: Cs # 67 coordinates: [ 0.500000000000000, 0.879992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 67 - symbol: Cs # 68 coordinates: [ 0.000000000000000, 0.068818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 68 - symbol: Cs # 69 coordinates: [ 0.500000000000000, 0.431181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 69 - symbol: Cs # 70 coordinates: [ 0.000000000000000, 0.931181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 70 - symbol: Cs # 71 coordinates: [ 0.500000000000000, 0.568818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 71 - symbol: Cs # 72 coordinates: [ 0.000000000000000, 0.620007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 72supercell: lattice: - [ 16.654428960000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.382579509999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.161206060000000 ] # c points: - symbol: F # 1 coordinates: [ 0.143052700000000, 0.720313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.643052700000000, 0.720313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.393052700000000, 0.779686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.893052700000000, 0.779686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 5 coordinates: [ 0.106947300000000, 0.779686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.606947300000000, 0.779686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.356947300000000, 0.720313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.856947300000000, 0.720313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.356947300000000, 0.279686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.856947300000000, 0.279686630000000, 0.121124220000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.106947300000000, 0.220313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.606947300000000, 0.220313370000000, 0.878875780000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 13 coordinates: [ 0.393052700000000, 0.220313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.893052700000000, 0.220313370000000, 0.621124220000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.143052700000000, 0.279686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.643052700000000, 0.279686630000000, 0.378875780000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 17 coordinates: [ 0.098907730000000, 0.999389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.598907730000000, 0.999389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.348907730000000, 0.500610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.848907730000000, 0.500610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.151092270000000, 0.500610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.651092270000000, 0.500610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.401092270000000, 0.999389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.901092270000000, 0.999389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 25 coordinates: [ 0.401092270000000, 0.000610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.901092270000000, 0.000610470000000, 0.018881940000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.151092270000000, 0.499389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.651092270000000, 0.499389530000000, 0.981118060000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 29 coordinates: [ 0.348907730000000, 0.499389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.848907730000000, 0.499389530000000, 0.518881940000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.098907730000000, 0.000610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.598907730000000, 0.000610470000000, 0.481118060000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.009889825000000, 0.842887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.509889825000000, 0.842887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.239916275000000, 0.880915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.739916275000000, 0.880915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 37 coordinates: [ 0.259889825000000, 0.657112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.759889825000000, 0.657112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.490110175000000, 0.842887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.990110175000000, 0.842887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 41 coordinates: [ 0.490110175000000, 0.157112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.990110175000000, 0.157112200000000, 0.113656640000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.240110175000000, 0.342887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.740110175000000, 0.342887800000000, 0.886343360000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 45 coordinates: [ 0.259889825000000, 0.342887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.759889825000000, 0.342887800000000, 0.613656640000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 47 coordinates: [ 0.009889825000000, 0.157112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.509889825000000, 0.157112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 49 coordinates: [ 0.106182935000000, 0.418000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.606182935000000, 0.418000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.356182935000000, 0.081999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 52 coordinates: [ 0.856182935000000, 0.081999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 51 - symbol: F # 53 coordinates: [ 0.143817065000000, 0.081999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.643817065000000, 0.081999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.393817065000000, 0.418000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.893817065000000, 0.418000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 57 coordinates: [ 0.393817065000000, 0.581999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.893817065000000, 0.581999960000000, 0.237634590000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.143817065000000, 0.918000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.643817065000000, 0.918000040000000, 0.762365410000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 61 coordinates: [ 0.356182935000000, 0.918000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.856182935000000, 0.918000040000000, 0.737634590000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.106182935000000, 0.581999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.606182935000000, 0.581999960000000, 0.262365410000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 65 coordinates: [ 0.108974945000000, 0.187306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.608974945000000, 0.187306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.358974945000000, 0.312693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.858974945000000, 0.312693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.141025055000000, 0.312693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.641025055000000, 0.312693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.391025055000000, 0.187306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.891025055000000, 0.187306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 73 coordinates: [ 0.391025055000000, 0.812693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.891025055000000, 0.812693860000000, 0.406744490000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.141025055000000, 0.687306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.641025055000000, 0.687306140000000, 0.593255510000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 77 coordinates: [ 0.358974945000000, 0.687306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.858974945000000, 0.687306140000000, 0.906744490000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.108974945000000, 0.812693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.608974945000000, 0.812693860000000, 0.093255510000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.239916275000000, 0.119084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.739916275000000, 0.119084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.489916275000000, 0.380915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.989916275000000, 0.380915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 85 coordinates: [ 0.010083725000000, 0.380915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.510083725000000, 0.380915530000000, 0.965642020000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.260083725000000, 0.119084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.760083725000000, 0.119084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 89 coordinates: [ 0.260083725000000, 0.880915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.760083725000000, 0.880915530000000, 0.534357980000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.010083725000000, 0.619084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.510083725000000, 0.619084470000000, 0.465642020000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.489916275000000, 0.619084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.989916275000000, 0.619084470000000, 0.034357980000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.240110175000000, 0.657112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 95 - symbol: F # 96 coordinates: [ 0.740110175000000, 0.657112200000000, 0.386343360000000 ] mass: 18.998403 reduced_to: 95 - symbol: Na # 97 coordinates: [ 0.373447285000000, 0.142448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 98 coordinates: [ 0.873447285000000, 0.142448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 99 coordinates: [ 0.123447285000000, 0.357551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 99 - symbol: Na # 100 coordinates: [ 0.623447285000000, 0.357551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 99 - symbol: Na # 101 coordinates: [ 0.376552715000000, 0.357551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 101 - symbol: Na # 102 coordinates: [ 0.876552715000000, 0.357551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 101 - symbol: Na # 103 coordinates: [ 0.126552715000000, 0.142448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 103 - symbol: Na # 104 coordinates: [ 0.626552715000000, 0.142448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 103 - symbol: Na # 105 coordinates: [ 0.126552715000000, 0.857551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 106 coordinates: [ 0.626552715000000, 0.857551530000000, 0.574222310000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 107 coordinates: [ 0.376552715000000, 0.642448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 107 - symbol: Na # 108 coordinates: [ 0.876552715000000, 0.642448470000000, 0.425777690000000 ] mass: 22.989769 reduced_to: 107 - symbol: Na # 109 coordinates: [ 0.123447285000000, 0.642448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 110 coordinates: [ 0.623447285000000, 0.642448470000000, 0.074222310000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 111 coordinates: [ 0.373447285000000, 0.857551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 111 - symbol: Na # 112 coordinates: [ 0.873447285000000, 0.857551530000000, 0.925777690000000 ] mass: 22.989769 reduced_to: 111 - symbol: Sn # 113 coordinates: [ 0.125101740000000, 0.137700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 113 - symbol: Sn # 114 coordinates: [ 0.625101740000000, 0.137700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 113 - symbol: Sn # 115 coordinates: [ 0.374898260000000, 0.137700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 115 - symbol: Sn # 116 coordinates: [ 0.874898260000000, 0.137700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 115 - symbol: Sn # 117 coordinates: [ 0.124898260000000, 0.362299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 117 - symbol: Sn # 118 coordinates: [ 0.624898260000000, 0.362299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 117 - symbol: Sn # 119 coordinates: [ 0.124898260000000, 0.637700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 119 - symbol: Sn # 120 coordinates: [ 0.624898260000000, 0.637700580000000, 0.425630040000000 ] mass: 118.710000 reduced_to: 119 - symbol: Sn # 121 coordinates: [ 0.375101740000000, 0.637700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 121 - symbol: Sn # 122 coordinates: [ 0.875101740000000, 0.637700580000000, 0.074369960000000 ] mass: 118.710000 reduced_to: 121 - symbol: Sn # 123 coordinates: [ 0.374898260000000, 0.862299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 123 - symbol: Sn # 124 coordinates: [ 0.874898260000000, 0.862299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 123 - symbol: Sn # 125 coordinates: [ 0.125101740000000, 0.862299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 125 - symbol: Sn # 126 coordinates: [ 0.625101740000000, 0.862299420000000, 0.925630040000000 ] mass: 118.710000 reduced_to: 125 - symbol: Sn # 127 coordinates: [ 0.375101740000000, 0.362299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 128 coordinates: [ 0.875101740000000, 0.362299420000000, 0.574369960000000 ] mass: 118.710000 reduced_to: 127 - symbol: Cs # 129 coordinates: [ 0.250000000000000, 0.120007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 130 coordinates: [ 0.750000000000000, 0.120007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 129 - symbol: Cs # 131 coordinates: [ 0.000000000000000, 0.379992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 131 - symbol: Cs # 132 coordinates: [ 0.500000000000000, 0.379992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 131 - symbol: Cs # 133 coordinates: [ 0.250000000000000, 0.879992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 133 - symbol: Cs # 134 coordinates: [ 0.750000000000000, 0.879992240000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 133 - symbol: Cs # 135 coordinates: [ 0.000000000000000, 0.068818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 135 - symbol: Cs # 136 coordinates: [ 0.500000000000000, 0.068818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 135 - symbol: Cs # 137 coordinates: [ 0.250000000000000, 0.431181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 137 - symbol: Cs # 138 coordinates: [ 0.750000000000000, 0.431181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 137 - symbol: Cs # 139 coordinates: [ 0.000000000000000, 0.931181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 139 - symbol: Cs # 140 coordinates: [ 0.500000000000000, 0.931181260000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 139 - symbol: Cs # 141 coordinates: [ 0.250000000000000, 0.568818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 141 - symbol: Cs # 142 coordinates: [ 0.750000000000000, 0.568818740000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 141 - symbol: Cs # 143 coordinates: [ 0.000000000000000, 0.620007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 143 - symbol: Cs # 144 coordinates: [ 0.500000000000000, 0.620007760000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 143displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0278855500000000, 0.0215791400000000, 0.0061865600000000 ] - [ 0.0003677300000000, -0.0004722200000000, -0.0001048400000000 ] - [ 0.0003944700000000, 0.0007131700000000, 0.0005278600000000 ] - [ 0.0003956500000000, 0.0003739500000000, -0.0002952200000000 ] - [ -0.0003995000000000, 0.0005475900000000, -0.0002146700000000 ] - [ 0.0001979300000000, 0.0004484100000000, -0.0001141800000000 ] - [ 0.0003485600000000, -0.0001436100000000, -0.0003478500000000 ] - [ 0.0003369700000000, -0.0006577500000000, 0.0004045900000000 ] - [ 0.0000011600000000, 0.0004087100000000, 0.0001466000000000 ] - [ 0.0000063800000000, 0.0004382700000000, 0.0000753200000000 ] - [ -0.0003069500000000, -0.0005827600000000, -0.0001322800000000 ] - [ 0.0001568200000000, -0.0004471100000000, -0.0001128600000000 ] - [ 0.0000743500000000, -0.0005794500000000, 0.0000869200000000 ] - [ 0.0000749200000000, -0.0004318400000000, 0.0001652000000000 ] - [ -0.0001770100000000, 0.0003739000000000, -0.0001003200000000 ] - [ 0.0001863100000000, 0.0004641700000000, -0.0001088800000000 ] - [ -0.0010386600000000, -0.0007008000000000, -0.0001259200000000 ] - [ 0.0002632300000000, -0.0000494400000000, 0.0001135900000000 ] - [ 0.0002251700000000, -0.0004816500000000, 0.0001001400000000 ] - [ 0.0003550800000000, 0.0004564100000000, -0.0001676200000000 ] - [ -0.0004398600000000, 0.0001206500000000, -0.0000335600000000 ] - [ 0.0001628100000000, 0.0000183800000000, 0.0001194700000000 ] - [ 0.0000415400000000, 0.0001322000000000, -0.0002185700000000 ] - [ 0.0000124800000000, -0.0002725000000000, 0.0000324000000000 ] - [ 0.0001646900000000, 0.0004082400000000, 0.0000378400000000 ] - [ 0.0001952400000000, -0.0005384700000000, -0.0003938100000000 ] - [ -0.0009146700000000, -0.0004495900000000, 0.0002084200000000 ] - [ 0.0002053700000000, -0.0000060600000000, 0.0001002200000000 ] - [ 0.0002456100000000, -0.0003025300000000, -0.0003996200000000 ] - [ 0.0001720400000000, 0.0001306800000000, 0.0000098900000000 ] - [ -0.0002128200000000, -0.0000453300000000, 0.0001305800000000 ] - [ 0.0002150900000000, 0.0000769900000000, 0.0001038200000000 ] - [ 0.0079119300000000, -0.0082387000000000, -0.0006173800000000 ] - [ 0.0011117800000000, 0.0002063000000000, 0.0000417200000000 ] - [ 0.0008962700000000, 0.0063311600000000, 0.0029926800000000 ] - [ 0.0005674000000000, 0.0001924200000000, 0.0001294500000000 ] - [ 0.0012023400000000, -0.0006236500000000, 0.0013377800000000 ] - [ 0.0010409600000000, -0.0000680600000000, -0.0001487500000000 ] - [ -0.0001582300000000, 0.0001631500000000, -0.0000559200000000 ] - [ -0.0004210200000000, -0.0001767700000000, 0.0005494200000000 ] - [ -0.0003412600000000, -0.0000478300000000, 0.0000352800000000 ] - [ -0.0007072400000000, -0.0002252500000000, -0.0000639400000000 ] - [ -0.0009712600000000, -0.0001288500000000, 0.0001261000000000 ] - [ -0.0002472000000000, 0.0001201500000000, -0.0000295500000000 ] - [ 0.0004386000000000, -0.0002180500000000, -0.0001627000000000 ] - [ 0.0007995600000000, 0.0001708800000000, 0.0000144500000000 ] - [ 0.0003109100000000, -0.0001386000000000, -0.0000163100000000 ] - [ 0.0007618100000000, -0.0001075200000000, 0.0000281000000000 ] - [ -0.0005797200000000, -0.0000551600000000, 0.0003872800000000 ] - [ 0.0003240000000000, -0.0001337700000000, 0.0004696400000000 ] - [ 0.0000992500000000, 0.0001628200000000, -0.0003679300000000 ] - [ 0.0001565200000000, 0.0000422100000000, -0.0005407500000000 ] - [ -0.0003203400000000, 0.0000953300000000, 0.0004560500000000 ] - [ 0.0000858300000000, 0.0001053800000000, 0.0004384500000000 ] - [ 0.0002316200000000, -0.0004844200000000, -0.0006183200000000 ] - [ 0.0001535100000000, 0.0003332600000000, -0.0002744100000000 ] - [ 0.0001254000000000, -0.0000981300000000, -0.0001039600000000 ] - [ 0.0000793800000000, 0.0003319000000000, -0.0008490800000000 ] - [ -0.0027646300000000, 0.0001213500000000, 0.0005788800000000 ] - [ 0.0001768200000000, -0.0000994900000000, 0.0004260500000000 ] - [ 0.0003892300000000, 0.0002094300000000, -0.0008849200000000 ] - [ 0.0004336500000000, -0.0003488900000000, -0.0001105600000000 ] - [ -0.0003129600000000, 0.0001893800000000, 0.0003612100000000 ] - [ 0.0003157800000000, 0.0001227800000000, 0.0004852200000000 ] - [ -0.0002350200000000, -0.0003099300000000, -0.0002500700000000 ] - [ 0.0001898500000000, -0.0002423800000000, -0.0003077000000000 ] - [ 0.0000442000000000, 0.0001490800000000, 0.0002007500000000 ] - [ 0.0000494400000000, 0.0002911400000000, 0.0003698900000000 ] - [ -0.0002683000000000, 0.0001563300000000, -0.0002596700000000 ] - [ 0.0001685200000000, 0.0002487600000000, -0.0002851800000000 ] - [ 0.0000236100000000, -0.0002198200000000, 0.0002707600000000 ] - [ 0.0000376200000000, -0.0003393700000000, 0.0002949200000000 ] - [ 0.0000597000000000, 0.0003347700000000, 0.0001738600000000 ] - [ 0.0000752000000000, 0.0002114500000000, 0.0004505100000000 ] - [ -0.0010478300000000, -0.0002186700000000, -0.0005234900000000 ] - [ 0.0002702900000000, -0.0002460500000000, -0.0002945800000000 ] - [ 0.0015015400000000, -0.0007623000000000, 0.0009658600000000 ] - [ 0.0006865400000000, -0.0000224800000000, 0.0000463300000000 ] - [ -0.0028452300000000, -0.0013800300000000, -0.0034089000000000 ] - [ 0.0003023100000000, 0.0002654300000000, -0.0002947100000000 ] - [ -0.0002510900000000, -0.0002032000000000, 0.0000561500000000 ] - [ 0.0002811500000000, -0.0002495000000000, 0.0001446000000000 ] - [ 0.0003029500000000, 0.0001635300000000, -0.0001848200000000 ] - [ -0.0001301100000000, 0.0003432300000000, 0.0000115000000000 ] - [ -0.0005210500000000, 0.0003720200000000, 0.0001045100000000 ] - [ 0.0002986600000000, 0.0001495400000000, 0.0000849800000000 ] - [ -0.0001784000000000, -0.0000395000000000, -0.0000576800000000 ] - [ 0.0002311900000000, -0.0002749100000000, -0.0001002400000000 ] - [ -0.0002494400000000, 0.0003869800000000, -0.0003304100000000 ] - [ 0.0003387400000000, 0.0001499300000000, 0.0000117000000000 ] - [ -0.0006580000000000, -0.0002313600000000, 0.0004736500000000 ] - [ 0.0003320500000000, -0.0002088100000000, 0.0000351700000000 ] - [ 0.0006944100000000, -0.0003459100000000, -0.0000066600000000 ] - [ 0.0013620100000000, 0.0005137500000000, -0.0011747400000000 ] - [ -0.0010286700000000, -0.0001138100000000, 0.0000476600000000 ] - [ -0.0001907400000000, -0.0000653400000000, -0.0000249000000000 ] - [ -0.0001195600000000, -0.0001594700000000, 0.0000904700000000 ] - [ -0.0001683200000000, -0.0000779400000000, 0.0000429800000000 ] - [ 0.0003103600000000, 0.0001980700000000, -0.0000189000000000 ] - [ -0.0003825000000000, 0.0001534700000000, -0.0000854700000000 ] - [ -0.0000058600000000, 0.0004131400000000, 0.0000054500000000 ] - [ 0.0000611200000000, -0.0000383600000000, 0.0001211800000000 ] - [ 0.0004754400000000, -0.0000515400000000, -0.0000575100000000 ] - [ -0.0001147500000000, -0.0001404600000000, -0.0000555300000000 ] - [ 0.0009789600000000, 0.0001111000000000, -0.0001267800000000 ] - [ -0.0002241100000000, 0.0001288500000000, -0.0000416800000000 ] - [ 0.0000284800000000, -0.0001405600000000, 0.0001430700000000 ] - [ -0.0000060300000000, -0.0001958500000000, -0.0000449500000000 ] - [ 0.0028463100000000, -0.0002331700000000, -0.0005647400000000 ] - [ -0.0005699200000000, -0.0001625800000000, -0.0001082400000000 ] - [ -0.0013915900000000, -0.0004548200000000, -0.0000091300000000 ] - [ -0.0014922600000000, 0.0004667100000000, 0.0003534100000000 ] - [ 0.0001205900000000, -0.0000293000000000, -0.0001568900000000 ] - [ -0.0013393700000000, -0.0001739100000000, -0.0001736000000000 ] - [ 0.0005063100000000, -0.0005864000000000, -0.0000553800000000 ] - [ 0.0004353800000000, 0.0003915000000000, 0.0003760400000000 ] - [ 0.0022497300000000, 0.0005031900000000, -0.0001597800000000 ] - [ -0.0001641100000000, 0.0001971900000000, -0.0001202700000000 ] - [ 0.0024590600000000, -0.0003291500000000, -0.0000040400000000 ] - [ -0.0002767500000000, -0.0002051500000000, -0.0001146000000000 ] - [ -0.0028727900000000, 0.0008429300000000, -0.0016876900000000 ] - [ -0.0026489100000000, -0.0008116700000000, 0.0013830400000000 ] - [ 0.0000998600000000, -0.0005193700000000, 0.0010735500000000 ] - [ -0.0001303000000000, 0.0007225400000000, -0.0007672000000000 ] - [ 0.0187236200000000, -0.0175455300000000, -0.0051866900000000 ] - [ -0.0019708300000000, 0.0001131200000000, -0.0002203600000000 ] - [ -0.0011193600000000, 0.0009183300000000, 0.0006429300000000 ] - [ -0.0009467500000000, -0.0003216800000000, -0.0002746800000000 ] - [ 0.0002825400000000, -0.0000922400000000, 0.0001091000000000 ] - [ -0.0002673400000000, 0.0001200700000000, -0.0000206400000000 ] - [ 0.0002254500000000, -0.0001615800000000, 0.0000330800000000 ] - [ -0.0002343000000000, 0.0000370200000000, -0.0000170800000000 ] - [ 0.0004771300000000, -0.0002298200000000, -0.0004600800000000 ] - [ -0.0003389400000000, 0.0000261500000000, 0.0000412900000000 ] - [ 0.0002417100000000, 0.0006669200000000, -0.0002550200000000 ] - [ -0.0002695000000000, -0.0000493300000000, 0.0000154200000000 ] - [ 0.0002750000000000, 0.0001640300000000, -0.0001210300000000 ] - [ -0.0002592400000000, -0.0001368700000000, 0.0000433400000000 ] - [ 0.0001460200000000, 0.0002375300000000, 0.0003662000000000 ] - [ -0.0002992400000000, -0.0001434600000000, -0.0000717500000000 ] - [ 0.0015597300000000, -0.0002095100000000, -0.0001757900000000 ] - [ -0.0005758600000000, -0.0000779000000000, -0.0000576200000000 ] - [ 0.0024522700000000, 0.0002505200000000, 0.0002746900000000 ] - [ -0.0006259300000000, 0.0001181300000000, 0.0001663400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0277923300000000, -0.0221791600000000, -0.0062430800000000 ] - [ -0.0003138800000000, -0.0004326800000000, -0.0001165000000000 ] - [ -0.0003453600000000, 0.0001983000000000, -0.0003061700000000 ] - [ -0.0003424200000000, 0.0005309600000000, 0.0005135500000000 ] - [ 0.0003474000000000, 0.0003580400000000, -0.0000057100000000 ] - [ -0.0002474600000000, 0.0004592100000000, -0.0001054900000000 ] - [ -0.0003995700000000, -0.0007574300000000, 0.0005662700000000 ] - [ -0.0003854800000000, -0.0002479200000000, -0.0001820700000000 ] - [ -0.0000554400000000, 0.0004962300000000, 0.0000725000000000 ] - [ -0.0000559600000000, 0.0004672200000000, 0.0001437700000000 ] - [ 0.0002568400000000, -0.0003231200000000, -0.0000886300000000 ] - [ -0.0002068400000000, -0.0004589900000000, -0.0001073600000000 ] - [ -0.0000236000000000, -0.0003282300000000, 0.0001339500000000 ] - [ -0.0000232900000000, -0.0004722100000000, 0.0000561200000000 ] - [ 0.0002279300000000, 0.0005303800000000, -0.0001191700000000 ] - [ -0.0001311300000000, 0.0004423600000000, -0.0001108100000000 ] - [ 0.0011265200000000, 0.0005889400000000, 0.0003332800000000 ] - [ -0.0001833900000000, -0.0000405400000000, 0.0000996400000000 ] - [ -0.0001464900000000, 0.0005695200000000, -0.0003150400000000 ] - [ -0.0002720600000000, -0.0003641600000000, -0.0000491500000000 ] - [ 0.0003557500000000, -0.0000266200000000, 0.0002491500000000 ] - [ -0.0002400200000000, 0.0000717900000000, 0.0000983000000000 ] - [ -0.0001214900000000, -0.0002216800000000, 0.0000044800000000 ] - [ -0.0000912000000000, 0.0001780500000000, -0.0002446300000000 ] - [ -0.0002455400000000, -0.0003173000000000, -0.0002522600000000 ] - [ -0.0002733300000000, 0.0006262400000000, 0.0001790800000000 ] - [ 0.0008294500000000, 0.0003659400000000, 0.0000046400000000 ] - [ -0.0002827900000000, -0.0000857100000000, 0.0001104600000000 ] - [ -0.0001654100000000, 0.0002093100000000, 0.0001859100000000 ] - [ -0.0000893500000000, -0.0002183500000000, -0.0002224600000000 ] - [ 0.0002927400000000, 0.0001308200000000, 0.0000870400000000 ] - [ -0.0001353400000000, 0.0000140400000000, 0.0001111300000000 ] - [ -0.0069275700000000, 0.0085910800000000, 0.0006390200000000 ] - [ -0.0000168100000000, -0.0000040300000000, -0.0000298900000000 ] - [ -0.0008526400000000, -0.0058374600000000, -0.0027575300000000 ] - [ -0.0004949800000000, 0.0002444300000000, 0.0000835600000000 ] - [ -0.0001171900000000, 0.0004237300000000, -0.0013399700000000 ] - [ 0.0000557500000000, -0.0001319600000000, 0.0001342700000000 ] - [ -0.0009346100000000, 0.0000399300000000, 0.0000434600000000 ] - [ -0.0006659900000000, 0.0003751000000000, -0.0005594000000000 ] - [ -0.0007482600000000, -0.0001520500000000, -0.0000475400000000 ] - [ -0.0003839400000000, 0.0000240500000000, 0.0000508400000000 ] - [ -0.0001236700000000, 0.0003282900000000, -0.0001137700000000 ] - [ -0.0008424900000000, 0.0000810100000000, 0.0000408400000000 ] - [ 0.0006520400000000, 0.0004166600000000, 0.0001496700000000 ] - [ 0.0002942200000000, 0.0000317400000000, -0.0000260800000000 ] - [ 0.0007833100000000, -0.0000636500000000, 0.0000299200000000 ] - [ 0.0003271100000000, -0.0000929900000000, -0.0000156700000000 ] - [ 0.0007474800000000, -0.0001742200000000, 0.0005184300000000 ] - [ -0.0001512000000000, -0.0000976100000000, 0.0004356800000000 ] - [ 0.0000712900000000, 0.0000683600000000, -0.0005380300000000 ] - [ 0.0000149200000000, 0.0001877500000000, -0.0003645900000000 ] - [ 0.0001507300000000, 0.0001340600000000, 0.0004481800000000 ] - [ -0.0002561800000000, 0.0001266400000000, 0.0004668400000000 ] - [ -0.0004010000000000, 0.0002501100000000, -0.0002878400000000 ] - [ -0.0003230700000000, -0.0005627400000000, -0.0006294800000000 ] - [ -0.0002990300000000, 0.0003347600000000, -0.0007987600000000 ] - [ -0.0002480300000000, -0.0000986000000000, -0.0000571500000000 ] - [ 0.0025933200000000, -0.0003963800000000, 0.0003514200000000 ] - [ -0.0003457700000000, -0.0001314200000000, 0.0004785400000000 ] - [ -0.0002204700000000, -0.0004378800000000, -0.0000194700000000 ] - [ -0.0002615500000000, 0.0001140600000000, -0.0007945800000000 ] - [ 0.0004815400000000, 0.0000462300000000, 0.0005431000000000 ] - [ -0.0001405300000000, 0.0001147200000000, 0.0004189400000000 ] - [ 0.0002684900000000, -0.0001834900000000, -0.0003401500000000 ] - [ -0.0001569500000000, -0.0002504400000000, -0.0002845800000000 ] - [ -0.0000187900000000, 0.0003359100000000, 0.0003915000000000 ] - [ -0.0000163600000000, 0.0002043800000000, 0.0002270500000000 ] - [ 0.0002357000000000, 0.0003366700000000, -0.0003372300000000 ] - [ -0.0001933500000000, 0.0002354700000000, -0.0003076200000000 ] - [ -0.0000566200000000, -0.0002716900000000, 0.0003214800000000 ] - [ -0.0000695700000000, -0.0001511700000000, 0.0002953400000000 ] - [ -0.0000944100000000, 0.0001607300000000, 0.0004194500000000 ] - [ -0.0001057100000000, 0.0002796100000000, 0.0001444400000000 ] - [ 0.0010122300000000, -0.0002695800000000, -0.0000615300000000 ] - [ -0.0002981800000000, -0.0002470100000000, -0.0002959000000000 ] - [ -0.0014579500000000, 0.0002682300000000, -0.0003684100000000 ] - [ -0.0006538400000000, -0.0004687100000000, 0.0005435100000000 ] - [ 0.0029075900000000, 0.0018458000000000, 0.0027643200000000 ] - [ -0.0002673600000000, 0.0002271500000000, -0.0002994400000000 ] - [ 0.0003213000000000, -0.0002358900000000, 0.0001588000000000 ] - [ -0.0002114600000000, -0.0001886800000000, 0.0000701200000000 ] - [ -0.0002266700000000, 0.0002726000000000, -0.0000249700000000 ] - [ 0.0002025900000000, 0.0000981200000000, -0.0002234900000000 ] - [ 0.0004495900000000, 0.0000691700000000, 0.0001076100000000 ] - [ -0.0003729000000000, 0.0002861600000000, 0.0001247400000000 ] - [ 0.0001076400000000, -0.0003997700000000, -0.0001579500000000 ] - [ -0.0003008700000000, -0.0001630500000000, -0.0001147600000000 ] - [ 0.0001741900000000, 0.0000521400000000, 0.0001173500000000 ] - [ -0.0004048500000000, 0.0002871100000000, -0.0002237800000000 ] - [ 0.0005866000000000, -0.0002060100000000, -0.0002580800000000 ] - [ -0.0004009000000000, -0.0002282200000000, 0.0001803900000000 ] - [ -0.0006205500000000, -0.0000913200000000, -0.0002083600000000 ] - [ -0.0012949700000000, -0.0009564900000000, 0.0009656800000000 ] - [ -0.0000700100000000, -0.0000860300000000, -0.0000330000000000 ] - [ -0.0008958500000000, -0.0001347100000000, 0.0000385500000000 ] - [ -0.0001207700000000, -0.0001325900000000, 0.0000504900000000 ] - [ -0.0000717000000000, -0.0002118000000000, 0.0000969500000000 ] - [ -0.0005479000000000, 0.0000941500000000, -0.0001208800000000 ] - [ 0.0001442900000000, 0.0001396300000000, -0.0000532600000000 ] - [ 0.0002438800000000, -0.0001164300000000, 0.0001328200000000 ] - [ 0.0001780200000000, 0.0003309000000000, 0.0000194400000000 ] - [ -0.0002351200000000, -0.0002366700000000, -0.0000814600000000 ] - [ 0.0003570700000000, -0.0001537200000000, -0.0000855800000000 ] - [ -0.0007383200000000, 0.0001772000000000, -0.0000225300000000 ] - [ 0.0004635900000000, 0.0001605900000000, -0.0000993100000000 ] - [ 0.0002123300000000, -0.0001523500000000, -0.0000024300000000 ] - [ 0.0002430400000000, -0.0000968000000000, 0.0001863900000000 ] - [ -0.0030740000000000, -0.0000725900000000, 0.0004208000000000 ] - [ 0.0003283900000000, -0.0001309300000000, -0.0000316300000000 ] - [ 0.0011542600000000, 0.0007381700000000, 0.0001472600000000 ] - [ 0.0012511000000000, -0.0001750300000000, -0.0002129600000000 ] - [ -0.0015040700000000, -0.0003236900000000, -0.0001470900000000 ] - [ -0.0000356800000000, -0.0001923800000000, -0.0001278000000000 ] - [ 0.0008732400000000, 0.0002231400000000, 0.0003582100000000 ] - [ 0.0009449200000000, -0.0007487900000000, -0.0000724900000000 ] - [ -0.0008646500000000, -0.0001461400000000, -0.0001424200000000 ] - [ 0.0015445500000000, 0.0001683400000000, -0.0001879700000000 ] - [ -0.0010689000000000, -0.0000389900000000, -0.0002984600000000 ] - [ 0.0016469900000000, -0.0001588600000000, -0.0001923700000000 ] - [ 0.0014959600000000, -0.0012049200000000, 0.0019789300000000 ] - [ 0.0012640200000000, 0.0004494900000000, -0.0010772600000000 ] - [ 0.0012856500000000, 0.0008688200000000, -0.0007701600000000 ] - [ 0.0015024800000000, -0.0003586500000000, 0.0010658100000000 ] - [ -0.0198571600000000, 0.0175928000000000, 0.0047919900000000 ] - [ 0.0005865300000000, 0.0002434000000000, -0.0000794600000000 ] - [ -0.0002631400000000, -0.0005470100000000, -0.0003317600000000 ] - [ -0.0004351400000000, 0.0006773800000000, 0.0005745900000000 ] - [ -0.0002790300000000, 0.0001917300000000, -0.0001104900000000 ] - [ 0.0002668700000000, -0.0000254300000000, 0.0000211200000000 ] - [ -0.0002256200000000, 0.0000657700000000, -0.0000329800000000 ] - [ 0.0002338500000000, -0.0001301400000000, 0.0000170100000000 ] - [ -0.0004694600000000, 0.0001357100000000, 0.0004653100000000 ] - [ 0.0003375700000000, -0.0001204800000000, -0.0000416300000000 ] - [ -0.0002461200000000, -0.0005706200000000, 0.0002543700000000 ] - [ 0.0002706500000000, 0.0001412700000000, -0.0000158600000000 ] - [ -0.0002726600000000, -0.0002544100000000, 0.0001206200000000 ] - [ 0.0002589100000000, 0.0000460000000000, -0.0000429000000000 ] - [ -0.0001512800000000, -0.0003252700000000, -0.0003622600000000 ] - [ 0.0002999800000000, 0.0000484200000000, 0.0000719900000000 ] - [ -0.0015326800000000, 0.0002611400000000, 0.0001489400000000 ] - [ 0.0005752400000000, 0.0001703600000000, 0.0000572100000000 ] - [ -0.0025403200000000, -0.0002185500000000, -0.0003363100000000 ] - [ 0.0006236900000000, -0.0000230700000000, -0.0001653400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0225467300000000, -0.1458399000000000, -0.0373899200000000 ] - [ 0.0000046000000000, -0.0007432300000000, -0.0001864300000000 ] - [ 0.0001008600000000, -0.0006100200000000, 0.0000144300000000 ] - [ -0.0002319600000000, -0.0006116600000000, 0.0001055200000000 ] - [ 0.0000713400000000, -0.0007652500000000, 0.0005373100000000 ] - [ -0.0000301000000000, 0.0002350300000000, -0.0000529300000000 ] - [ -0.0003322800000000, -0.0016607300000000, 0.0004587000000000 ] - [ 0.0001815600000000, -0.0014513600000000, 0.0003870200000000 ] - [ -0.0000678600000000, 0.0010897500000000, 0.0001940200000000 ] - [ -0.0000387000000000, 0.0009037500000000, 0.0001755200000000 ] - [ 0.0000875100000000, 0.0010603100000000, 0.0000726600000000 ] - [ -0.0000312800000000, -0.0002123300000000, -0.0000810200000000 ] - [ 0.0000626300000000, 0.0001887600000000, -0.0000083900000000 ] - [ -0.0001004100000000, 0.0001846200000000, -0.0000233300000000 ] - [ 0.0001027300000000, 0.0011410000000000, -0.0002201700000000 ] - [ 0.0000134000000000, 0.0006384900000000, -0.0001318400000000 ] - [ -0.0008690100000000, 0.0031307900000000, 0.0014009900000000 ] - [ 0.0000550900000000, -0.0000769400000000, 0.0000969700000000 ] - [ -0.0004808900000000, 0.0000594100000000, -0.0004966200000000 ] - [ 0.0003833500000000, 0.0001533300000000, -0.0001858600000000 ] - [ 0.0000508000000000, 0.0001082600000000, 0.0005487600000000 ] - [ -0.0000550900000000, 0.0000198600000000, 0.0001411000000000 ] - [ 0.0001491500000000, 0.0000213400000000, -0.0002002200000000 ] - [ -0.0002531000000000, -0.0000770500000000, -0.0002184300000000 ] - [ 0.0004997900000000, 0.0005490500000000, 0.0001014600000000 ] - [ -0.0005556000000000, 0.0007274800000000, 0.0002412200000000 ] - [ 0.0001106400000000, 0.0046698000000000, -0.0007491300000000 ] - [ -0.0000497400000000, 0.0000016300000000, 0.0000835900000000 ] - [ -0.0004114000000000, 0.0003487300000000, 0.0004162700000000 ] - [ 0.0002193900000000, 0.0000988100000000, 0.0000295600000000 ] - [ 0.0000377800000000, 0.0004686500000000, -0.0002697500000000 ] - [ 0.0000474000000000, 0.0000819400000000, 0.0001038800000000 ] - [ -0.0106444100000000, 0.0022156300000000, -0.0001439500000000 ] - [ 0.0006777100000000, -0.0000878700000000, -0.0000159900000000 ] - [ 0.0086081700000000, 0.0051189800000000, 0.0044086500000000 ] - [ -0.0002186900000000, 0.0001053900000000, 0.0001026200000000 ] - [ -0.0007477800000000, -0.0008156600000000, -0.0010717300000000 ] - [ 0.0005997800000000, -0.0002928400000000, -0.0000532000000000 ] - [ -0.0004344800000000, -0.0001483300000000, -0.0000250700000000 ] - [ -0.0011153800000000, -0.0005592300000000, -0.0004744000000000 ] - [ -0.0003744500000000, 0.0001213200000000, 0.0000563100000000 ] - [ -0.0006822300000000, 0.0004026000000000, 0.0000953000000000 ] - [ -0.0009892900000000, 0.0012461000000000, 0.0000584900000000 ] - [ -0.0005182100000000, 0.0002447700000000, -0.0000113800000000 ] - [ 0.0004012100000000, 0.0008560400000000, 0.0002338000000000 ] - [ 0.0006444800000000, 0.0002855000000000, 0.0000134300000000 ] - [ 0.0004333500000000, 0.0002721100000000, -0.0000134400000000 ] - [ 0.0005630200000000, 0.0000192400000000, 0.0000251800000000 ] - [ 0.0003429500000000, 0.0011767800000000, 0.0006298900000000 ] - [ 0.0000303800000000, -0.0000087500000000, 0.0003982500000000 ] - [ 0.0002705700000000, 0.0003614600000000, -0.0003163000000000 ] - [ -0.0000978500000000, 0.0003190400000000, -0.0003566700000000 ] - [ -0.0000770200000000, 0.0005737100000000, 0.0007629400000000 ] - [ -0.0001041000000000, 0.0001860100000000, 0.0005005800000000 ] - [ -0.0006871200000000, 0.0005885500000000, -0.0001905000000000 ] - [ 0.0002686700000000, 0.0004398200000000, -0.0001915300000000 ] - [ -0.0003243500000000, 0.0000202500000000, -0.0006376800000000 ] - [ 0.0001358500000000, 0.0000122100000000, -0.0006954400000000 ] - [ -0.0000846100000000, 0.0075270200000000, -0.0062295100000000 ] - [ -0.0001180000000000, -0.0001880200000000, 0.0004438500000000 ] - [ 0.0006964100000000, -0.0004361200000000, -0.0011303800000000 ] - [ -0.0003781700000000, -0.0002802400000000, -0.0009794900000000 ] - [ 0.0001421700000000, -0.0001988200000000, -0.0000207800000000 ] - [ 0.0000459300000000, 0.0000617500000000, 0.0004412900000000 ] - [ 0.0000571000000000, 0.0003405300000000, -0.0004747100000000 ] - [ -0.0000032700000000, -0.0001201300000000, -0.0003178700000000 ] - [ -0.0000730800000000, 0.0005901400000000, 0.0004286500000000 ] - [ 0.0000771300000000, 0.0004758900000000, 0.0003347100000000 ] - [ 0.0000319100000000, 0.0013071900000000, -0.0008699800000000 ] - [ -0.0000443100000000, 0.0003748300000000, -0.0003158900000000 ] - [ 0.0001663700000000, 0.0001949100000000, 0.0002249000000000 ] - [ -0.0001760800000000, 0.0002076200000000, 0.0003471900000000 ] - [ 0.0001642700000000, -0.0000767100000000, 0.0004436400000000 ] - [ -0.0001957000000000, -0.0000920600000000, 0.0003679700000000 ] - [ 0.0001790400000000, -0.0011226200000000, 0.0014006100000000 ] - [ -0.0000480400000000, -0.0003750600000000, -0.0002328200000000 ] - [ -0.0007810000000000, -0.0011617400000000, -0.0002021700000000 ] - [ 0.0003013500000000, -0.0010105600000000, 0.0001793800000000 ] - [ -0.0016783800000000, -0.0010800600000000, 0.0086318000000000 ] - [ -0.0000050600000000, 0.0001038000000000, -0.0002905100000000 ] - [ 0.0001734000000000, 0.0000823100000000, 0.0000243800000000 ] - [ -0.0000557600000000, -0.0001335200000000, 0.0000973300000000 ] - [ -0.0002187300000000, 0.0003771100000000, -0.0000000800000000 ] - [ 0.0002533800000000, 0.0005509600000000, 0.0000192000000000 ] - [ 0.0006464900000000, 0.0009516400000000, -0.0000854700000000 ] - [ -0.0001971500000000, 0.0003546000000000, 0.0000802300000000 ] - [ 0.0004563400000000, 0.0005357300000000, 0.0001273300000000 ] - [ -0.0002714500000000, -0.0000693800000000, -0.0001104200000000 ] - [ 0.0005593400000000, -0.0001956700000000, -0.0002873300000000 ] - [ -0.0001918000000000, 0.0000674100000000, -0.0001577400000000 ] - [ 0.0000971300000000, -0.0004702000000000, 0.0005721900000000 ] - [ -0.0001837100000000, -0.0003242500000000, 0.0001657200000000 ] - [ -0.0002551000000000, -0.0003627700000000, -0.0001915900000000 ] - [ 0.0022596700000000, -0.0006934500000000, -0.0011886900000000 ] - [ -0.0007029400000000, -0.0005401600000000, 0.0002580500000000 ] - [ -0.0005357400000000, -0.0002101200000000, 0.0000303800000000 ] - [ -0.0002510600000000, -0.0004667300000000, 0.0000201400000000 ] - [ 0.0000164400000000, -0.0004219500000000, 0.0000444600000000 ] - [ -0.0002490700000000, -0.0006201500000000, -0.0004632700000000 ] - [ -0.0000578400000000, 0.0000180900000000, -0.0000900400000000 ] - [ 0.0004826600000000, -0.0004417100000000, 0.0002715600000000 ] - [ -0.0001693600000000, -0.0002964500000000, 0.0001372700000000 ] - [ 0.0000959500000000, -0.0014449200000000, -0.0003584500000000 ] - [ 0.0001367700000000, -0.0002687200000000, -0.0000732300000000 ] - [ 0.0002603500000000, 0.0015470100000000, 0.0015042600000000 ] - [ 0.0001495200000000, 0.0002732800000000, -0.0000615000000000 ] - [ 0.0003094900000000, 0.0002261900000000, -0.0000721300000000 ] - [ -0.0000670200000000, 0.0001518500000000, -0.0000770800000000 ] - [ -0.0006580800000000, 0.0024606900000000, 0.0027772300000000 ] - [ -0.0000566900000000, -0.0000183500000000, -0.0000485600000000 ] - [ -0.0018455000000000, 0.0011011600000000, 0.0003764800000000 ] - [ 0.0015323900000000, 0.0005460500000000, -0.0002187500000000 ] - [ -0.0007878000000000, -0.0018973000000000, 0.0000087000000000 ] - [ -0.0006120900000000, -0.0005420800000000, -0.0001721300000000 ] - [ -0.0001885600000000, -0.0018765900000000, -0.0002250400000000 ] - [ 0.0013437300000000, -0.0016028300000000, -0.0001457900000000 ] - [ -0.0001508800000000, -0.0055477700000000, -0.0001287100000000 ] - [ 0.0008379500000000, -0.0002909100000000, -0.0000725100000000 ] - [ 0.0005143200000000, 0.0015377500000000, -0.0018036200000000 ] - [ 0.0008285900000000, 0.0001858700000000, -0.0002686900000000 ] - [ 0.0012179100000000, 0.0013736800000000, 0.0012343400000000 ] - [ -0.0022487000000000, 0.0015441400000000, 0.0008016200000000 ] - [ -0.0002492000000000, 0.0018062400000000, 0.0005096000000000 ] - [ 0.0015901000000000, 0.0015582600000000, 0.0007008900000000 ] - [ -0.0172813300000000, 0.1235140000000000, 0.0291583500000000 ] - [ -0.0005752300000000, 0.0006618000000000, -0.0000973900000000 ] - [ 0.0001297100000000, -0.0015983600000000, -0.0005708900000000 ] - [ -0.0011778100000000, -0.0010631700000000, -0.0002380600000000 ] - [ -0.0005872500000000, -0.0014795400000000, 0.0003095300000000 ] - [ 0.0001799300000000, -0.0001665300000000, 0.0000567800000000 ] - [ -0.0002061300000000, -0.0004912700000000, 0.0002075100000000 ] - [ 0.0001153800000000, -0.0002372900000000, -0.0000349700000000 ] - [ -0.0006961200000000, 0.0003762200000000, -0.0012554100000000 ] - [ 0.0001586600000000, 0.0001064200000000, -0.0000356600000000 ] - [ 0.0008631800000000, -0.0014356900000000, 0.0005376300000000 ] - [ -0.0001787900000000, -0.0001207100000000, 0.0000796000000000 ] - [ 0.0001934600000000, -0.0004608800000000, 0.0002990200000000 ] - [ -0.0000630400000000, -0.0001593700000000, 0.0000031700000000 ] - [ 0.0006660000000000, -0.0002317800000000, -0.0008413100000000 ] - [ -0.0001727300000000, 0.0000616300000000, -0.0000717400000000 ] - [ 0.0006247800000000, 0.0007302100000000, -0.0005774000000000 ] - [ -0.0002749200000000, 0.0001293100000000, 0.0000019600000000 ] - [ -0.0011383600000000, 0.0015204200000000, -0.0005074200000000 ] - [ 0.0004088400000000, 0.0003038200000000, -0.0000468500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0212390000000000, 0.1381904300000000, 0.0349962300000000 ] - [ 0.0000440100000000, -0.0001621400000000, -0.0000313000000000 ] - [ -0.0000657900000000, 0.0015155800000000, 0.0002138100000000 ] - [ 0.0002892100000000, 0.0015195500000000, 0.0001155800000000 ] - [ -0.0001084600000000, 0.0016706700000000, -0.0007675600000000 ] - [ -0.0000259700000000, 0.0006734900000000, -0.0001699900000000 ] - [ 0.0002769900000000, 0.0007645000000000, -0.0002491300000000 ] - [ -0.0002313300000000, 0.0005464100000000, -0.0001695400000000 ] - [ 0.0000166200000000, -0.0001937700000000, 0.0000274300000000 ] - [ -0.0000119400000000, -0.0000024400000000, 0.0000422500000000 ] - [ -0.0001531800000000, -0.0019662200000000, -0.0002814400000000 ] - [ 0.0000055200000000, -0.0007189300000000, -0.0001558200000000 ] - [ 0.0000037000000000, -0.0010944500000000, 0.0002174700000000 ] - [ 0.0001257700000000, -0.0011139200000000, 0.0002598500000000 ] - [ -0.0000511000000000, -0.0002436900000000, -0.0000026300000000 ] - [ 0.0000374400000000, 0.0002618600000000, -0.0000866100000000 ] - [ 0.0009567900000000, -0.0032581100000000, -0.0011779900000000 ] - [ 0.0000199800000000, -0.0000142400000000, 0.0001201500000000 ] - [ 0.0005601200000000, 0.0000482600000000, 0.0002930700000000 ] - [ -0.0003031200000000, -0.0000625900000000, -0.0000269800000000 ] - [ -0.0001309900000000, -0.0000021000000000, -0.0003439800000000 ] - [ -0.0000238200000000, 0.0000690600000000, 0.0000721800000000 ] - [ -0.0002335000000000, -0.0001228200000000, -0.0000266700000000 ] - [ 0.0001771800000000, -0.0000141900000000, 0.0000000600000000 ] - [ -0.0005845600000000, -0.0004620200000000, -0.0003016000000000 ] - [ 0.0004805100000000, -0.0006357800000000, -0.0004494600000000 ] - [ -0.0001873600000000, -0.0048090000000000, 0.0009875100000000 ] - [ -0.0000285600000000, -0.0000945300000000, 0.0001298800000000 ] - [ 0.0004909400000000, -0.0004361600000000, -0.0006403300000000 ] - [ -0.0001404500000000, -0.0001919400000000, -0.0002444300000000 ] - [ 0.0000475200000000, -0.0003822300000000, 0.0004683900000000 ] - [ 0.0000278400000000, 0.0000111800000000, 0.0001043600000000 ] - [ 0.0116112600000000, -0.0020456000000000, 0.0001525900000000 ] - [ 0.0004106600000000, 0.0002879400000000, 0.0000320800000000 ] - [ -0.0083942600000000, -0.0046421500000000, -0.0041132300000000 ] - [ 0.0002853000000000, 0.0003312900000000, 0.0001136000000000 ] - [ 0.0018325700000000, 0.0006349900000000, 0.0010623700000000 ] - [ 0.0004948400000000, 0.0000904000000000, 0.0000411000000000 ] - [ -0.0006682200000000, 0.0003501500000000, 0.0000048300000000 ] - [ 0.0000302100000000, 0.0007573000000000, 0.0004599600000000 ] - [ -0.0007251700000000, -0.0003293400000000, -0.0000656500000000 ] - [ -0.0004096500000000, -0.0006081700000000, -0.0001064000000000 ] - [ -0.0000977600000000, -0.0010441500000000, -0.0000413300000000 ] - [ -0.0005682300000000, -0.0000591300000000, 0.0000153300000000 ] - [ 0.0006891900000000, -0.0006509600000000, -0.0002538300000000 ] - [ 0.0004426100000000, -0.0000988800000000, -0.0000184400000000 ] - [ 0.0006652100000000, -0.0004798000000000, 0.0000221200000000 ] - [ 0.0005291800000000, -0.0002259400000000, -0.0000142400000000 ] - [ -0.0001738700000000, -0.0014115600000000, 0.0002721100000000 ] - [ 0.0001447700000000, -0.0002242700000000, 0.0005090800000000 ] - [ -0.0001057900000000, -0.0001456100000000, -0.0005890300000000 ] - [ 0.0002715900000000, -0.0000908800000000, -0.0005481300000000 ] - [ -0.0000870300000000, -0.0003570300000000, 0.0001399600000000 ] - [ -0.0000703300000000, 0.0000423300000000, 0.0004037300000000 ] - [ 0.0005187600000000, -0.0008226900000000, -0.0007156100000000 ] - [ -0.0004430400000000, -0.0006722100000000, -0.0007160900000000 ] - [ 0.0001435300000000, 0.0002236000000000, -0.0002707100000000 ] - [ -0.0003051000000000, 0.0002179200000000, -0.0002096600000000 ] - [ -0.0000833000000000, -0.0076644700000000, 0.0070080900000000 ] - [ -0.0000437600000000, -0.0000234600000000, 0.0004543300000000 ] - [ -0.0005213400000000, 0.0001845200000000, 0.0002217700000000 ] - [ 0.0005389800000000, 0.0000677600000000, 0.0000816900000000 ] - [ 0.0000364200000000, 0.0004431100000000, 0.0009248900000000 ] - [ 0.0001239400000000, 0.0001685100000000, 0.0004616000000000 ] - [ -0.0000403100000000, -0.0008287800000000, -0.0001385900000000 ] - [ 0.0000633100000000, -0.0003810400000000, -0.0002484800000000 ] - [ 0.0001039900000000, -0.0000991700000000, 0.0001613800000000 ] - [ -0.0000456500000000, 0.0000171000000000, 0.0002625500000000 ] - [ -0.0000631100000000, -0.0008223200000000, 0.0002830800000000 ] - [ 0.0000125000000000, 0.0001155200000000, -0.0002811300000000 ] - [ -0.0001826600000000, -0.0006828600000000, 0.0003880500000000 ] - [ 0.0001152900000000, -0.0007059900000000, 0.0002186600000000 ] - [ -0.0002101000000000, 0.0005741400000000, 0.0001384800000000 ] - [ 0.0001685200000000, 0.0005855000000000, 0.0002213400000000 ] - [ -0.0002087800000000, 0.0006426700000000, -0.0019947500000000 ] - [ 0.0000151500000000, -0.0001211900000000, -0.0003646100000000 ] - [ 0.0008031300000000, 0.0006796900000000, 0.0008112400000000 ] - [ -0.0002669200000000, 0.0005158000000000, 0.0004185900000000 ] - [ 0.0017167600000000, 0.0014926100000000, -0.0091572300000000 ] - [ 0.0000321300000000, 0.0003884800000000, -0.0003000000000000 ] - [ -0.0001040000000000, -0.0005302500000000, 0.0001633600000000 ] - [ 0.0001324100000000, -0.0003048200000000, 0.0001428200000000 ] - [ 0.0002915100000000, 0.0000597400000000, -0.0002167200000000 ] - [ -0.0001860900000000, -0.0001143000000000, -0.0002344700000000 ] - [ -0.0007240500000000, -0.0005164000000000, 0.0003023700000000 ] - [ 0.0001289900000000, 0.0000808200000000, 0.0001351200000000 ] - [ -0.0005243200000000, -0.0009836300000000, -0.0003157800000000 ] - [ 0.0001932600000000, -0.0003688400000000, -0.0001305900000000 ] - [ -0.0006265800000000, 0.0006278600000000, 0.0000565200000000 ] - [ 0.0001240300000000, 0.0003698900000000, -0.0000587000000000 ] - [ -0.0001551400000000, 0.0000370900000000, -0.0003638000000000 ] - [ 0.0001087400000000, -0.0001118900000000, 0.0000444000000000 ] - [ 0.0003133300000000, -0.0000691800000000, -0.0000175300000000 ] - [ -0.0021793800000000, 0.0002642700000000, 0.0009767900000000 ] - [ -0.0003951900000000, 0.0003500200000000, -0.0002542300000000 ] - [ -0.0005573800000000, 0.0000067000000000, -0.0000188500000000 ] - [ 0.0000112700000000, 0.0001737500000000, 0.0001217800000000 ] - [ -0.0002463800000000, 0.0001316900000000, 0.0000802000000000 ] - [ 0.0000136900000000, 0.0009135200000000, 0.0003281700000000 ] - [ -0.0001881600000000, 0.0002862200000000, -0.0000571500000000 ] - [ -0.0002485100000000, 0.0007360400000000, -0.0001354500000000 ] - [ 0.0004167900000000, 0.0006019300000000, 0.0000095900000000 ] - [ 0.0001452300000000, 0.0011530900000000, 0.0002160800000000 ] - [ 0.0000926300000000, -0.0000236200000000, -0.0000517900000000 ] - [ -0.0000201900000000, -0.0012414300000000, -0.0016534600000000 ] - [ 0.0000851200000000, 0.0000070500000000, -0.0000853800000000 ] - [ -0.0000730200000000, -0.0005184400000000, 0.0002122500000000 ] - [ 0.0003017800000000, -0.0004441600000000, 0.0002179600000000 ] - [ 0.0004098600000000, -0.0028182700000000, -0.0028324100000000 ] - [ -0.0001794800000000, -0.0002749200000000, -0.0000924400000000 ] - [ 0.0016079800000000, -0.0008010500000000, -0.0002293800000000 ] - [ -0.0017703400000000, -0.0002637500000000, 0.0003644600000000 ] - [ -0.0005952400000000, 0.0015408900000000, -0.0003006000000000 ] - [ -0.0007825900000000, 0.0001780600000000, -0.0001532300000000 ] - [ 0.0015709200000000, 0.0015204800000000, 0.0005179900000000 ] - [ 0.0000506600000000, 0.0012400700000000, 0.0004707300000000 ] - [ 0.0015375800000000, 0.0059387000000000, -0.0001802000000000 ] - [ 0.0005307000000000, 0.0006740200000000, -0.0002258600000000 ] - [ 0.0008636500000000, -0.0019141000000000, 0.0015005200000000 ] - [ 0.0005554800000000, -0.0005460000000000, -0.0000318900000000 ] - [ -0.0025840800000000, -0.0017508700000000, -0.0009334200000000 ] - [ 0.0008541400000000, -0.0019073400000000, -0.0004989000000000 ] - [ 0.0016365600000000, -0.0014381100000000, -0.0001994000000000 ] - [ -0.0002144400000000, -0.0012061900000000, -0.0004062600000000 ] - [ 0.0146299500000000, -0.1161864200000000, -0.0272753300000000 ] - [ -0.0008034300000000, -0.0003106500000000, -0.0001990900000000 ] - [ -0.0015167400000000, 0.0019695100000000, 0.0008857700000000 ] - [ -0.0001912400000000, 0.0014446700000000, 0.0005352800000000 ] - [ 0.0005845900000000, 0.0015767900000000, -0.0003093300000000 ] - [ -0.0001806800000000, 0.0002970200000000, -0.0000575100000000 ] - [ 0.0002067700000000, 0.0003955800000000, -0.0002099100000000 ] - [ -0.0001156000000000, 0.0001417600000000, 0.0000360100000000 ] - [ 0.0007031800000000, -0.0004740000000000, 0.0012520000000000 ] - [ -0.0001593200000000, -0.0002056400000000, 0.0000357700000000 ] - [ -0.0008302500000000, 0.0015224500000000, -0.0005385900000000 ] - [ 0.0001492800000000, 0.0002081400000000, -0.0000802500000000 ] - [ -0.0001942000000000, 0.0003659000000000, -0.0003006000000000 ] - [ 0.0000628300000000, 0.0000679500000000, -0.0000031200000000 ] - [ -0.0006676200000000, 0.0001405900000000, 0.0008440400000000 ] - [ 0.0001718400000000, -0.0001556300000000, 0.0000719400000000 ] - [ -0.0005729600000000, -0.0007090600000000, 0.0005361700000000 ] - [ 0.0002745500000000, -0.0000330300000000, -0.0000027300000000 ] - [ 0.0011099400000000, -0.0014523800000000, 0.0004910800000000 ] - [ -0.0004090400000000, -0.0002113400000000, 0.0000449900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0062814300000000, -0.0366241700000000, -0.0353240500000000 ] - [ 0.0000301000000000, -0.0005303200000000, -0.0001831000000000 ] - [ 0.0004305100000000, 0.0004532600000000, 0.0000886100000000 ] - [ -0.0003933600000000, 0.0003590500000000, 0.0000898000000000 ] - [ 0.0000777900000000, -0.0001938300000000, 0.0011028500000000 ] - [ -0.0000191800000000, 0.0004003500000000, -0.0000459000000000 ] - [ -0.0004798300000000, -0.0008008300000000, 0.0003916100000000 ] - [ 0.0002689700000000, -0.0007303400000000, 0.0002922000000000 ] - [ -0.0000060500000000, 0.0005267900000000, 0.0000922000000000 ] - [ -0.0000596500000000, 0.0005181700000000, 0.0000974600000000 ] - [ -0.0000158500000000, -0.0002758900000000, -0.0002515500000000 ] - [ -0.0000346400000000, -0.0004194800000000, -0.0001321500000000 ] - [ -0.0000165200000000, -0.0003187300000000, 0.0001294300000000 ] - [ 0.0000615700000000, -0.0003377000000000, 0.0001288900000000 ] - [ 0.0000348100000000, 0.0005620000000000, 0.0000145700000000 ] - [ 0.0000445900000000, 0.0004647500000000, -0.0000682400000000 ] - [ -0.0002578100000000, 0.0011888800000000, -0.0006621300000000 ] - [ 0.0000497400000000, -0.0000407500000000, 0.0000730600000000 ] - [ 0.0001464700000000, -0.0003301600000000, -0.0004704900000000 ] - [ -0.0001278900000000, -0.0001631700000000, -0.0002701000000000 ] - [ -0.0000467700000000, 0.0003970700000000, 0.0006765300000000 ] - [ -0.0000349500000000, 0.0000308500000000, 0.0001603900000000 ] - [ -0.0000983800000000, -0.0001268700000000, -0.0000080600000000 ] - [ -0.0000132600000000, -0.0002042200000000, 0.0000703100000000 ] - [ 0.0001546400000000, 0.0002675400000000, -0.0001111200000000 ] - [ -0.0001900300000000, 0.0002234800000000, -0.0001844200000000 ] - [ 0.0000062800000000, -0.0013104300000000, -0.0006990400000000 ] - [ -0.0000361400000000, -0.0000634600000000, 0.0000515800000000 ] - [ -0.0001639400000000, 0.0001282600000000, 0.0002068300000000 ] - [ 0.0001520300000000, 0.0000486700000000, 0.0000264900000000 ] - [ 0.0000862200000000, -0.0001140200000000, 0.0004763900000000 ] - [ 0.0000425100000000, 0.0000446300000000, 0.0001477700000000 ] - [ -0.0003701300000000, 0.0001280700000000, -0.0035361200000000 ] - [ 0.0006014800000000, 0.0000798000000000, -0.0000726800000000 ] - [ 0.0031683800000000, 0.0035262400000000, -0.0011986100000000 ] - [ -0.0000198300000000, 0.0002097200000000, 0.0000572700000000 ] - [ 0.0027760600000000, -0.0009153500000000, 0.0006948200000000 ] - [ 0.0004206600000000, -0.0001443200000000, -0.0000327600000000 ] - [ -0.0006760400000000, 0.0000300500000000, 0.0000194200000000 ] - [ 0.0001982000000000, -0.0002893800000000, 0.0002866100000000 ] - [ -0.0004589900000000, -0.0000437100000000, -0.0000085500000000 ] - [ -0.0006548200000000, 0.0000406000000000, -0.0000384500000000 ] - [ -0.0003927400000000, 0.0002106000000000, -0.0002888200000000 ] - [ -0.0005292700000000, 0.0001236200000000, -0.0000413400000000 ] - [ 0.0004474000000000, 0.0003731700000000, 0.0001387000000000 ] - [ 0.0006353500000000, 0.0001611800000000, 0.0000146300000000 ] - [ 0.0005650000000000, -0.0000093600000000, 0.0001491000000000 ] - [ 0.0005481900000000, -0.0000817500000000, 0.0000550100000000 ] - [ 0.0000931500000000, 0.0004023300000000, -0.0000964700000000 ] - [ 0.0000741000000000, -0.0000757700000000, 0.0003876800000000 ] - [ 0.0001862800000000, 0.0002542000000000, -0.0003995900000000 ] - [ -0.0000373700000000, 0.0002303600000000, -0.0004434500000000 ] - [ -0.0000961800000000, 0.0003974400000000, 0.0008063100000000 ] - [ -0.0000835500000000, 0.0001487400000000, 0.0004985400000000 ] - [ -0.0004141000000000, 0.0002082800000000, -0.0003907000000000 ] - [ 0.0001332600000000, 0.0002416000000000, -0.0003756300000000 ] - [ 0.0001654800000000, -0.0001027700000000, -0.0001226600000000 ] - [ -0.0002295800000000, -0.0000320900000000, -0.0001545700000000 ] - [ 0.0001409100000000, -0.0049651000000000, -0.0005551100000000 ] - [ -0.0000847700000000, -0.0001253800000000, 0.0003886900000000 ] - [ -0.0000797600000000, -0.0003202600000000, -0.0006661900000000 ] - [ 0.0001546300000000, -0.0002427900000000, -0.0006568000000000 ] - [ 0.0000791400000000, -0.0001412000000000, 0.0016486500000000 ] - [ 0.0001063900000000, 0.0001293000000000, 0.0005207800000000 ] - [ 0.0000140200000000, -0.0001861700000000, -0.0001822400000000 ] - [ -0.0000040800000000, -0.0002071400000000, -0.0002800300000000 ] - [ -0.0000038200000000, 0.0003145000000000, 0.0005185400000000 ] - [ 0.0000344600000000, 0.0003131600000000, 0.0004396500000000 ] - [ -0.0000237900000000, 0.0002090200000000, -0.0003558500000000 ] - [ 0.0000032500000000, 0.0002529900000000, -0.0003444400000000 ] - [ 0.0000219400000000, -0.0001312100000000, 0.0001305800000000 ] - [ -0.0000029000000000, -0.0001648600000000, 0.0001548100000000 ] - [ -0.0000032000000000, 0.0001975200000000, 0.0007405600000000 ] - [ -0.0000575200000000, 0.0001629000000000, 0.0007275300000000 ] - [ 0.0002058200000000, 0.0007114100000000, 0.0033145000000000 ] - [ -0.0000090800000000, -0.0002617800000000, -0.0002379500000000 ] - [ 0.0000551600000000, -0.0004147600000000, -0.0006115400000000 ] - [ -0.0000003000000000, -0.0003112100000000, -0.0003346400000000 ] - [ -0.0031007800000000, 0.0081754500000000, 0.0100976400000000 ] - [ 0.0000388200000000, 0.0002425400000000, -0.0003397200000000 ] - [ 0.0000713700000000, -0.0001905600000000, 0.0002454800000000 ] - [ 0.0000406800000000, -0.0002043100000000, 0.0001291900000000 ] - [ -0.0000863000000000, 0.0002586900000000, -0.0000048200000000 ] - [ 0.0001108200000000, 0.0003610700000000, 0.0000233600000000 ] - [ -0.0000991700000000, 0.0002014900000000, -0.0000963700000000 ] - [ -0.0000332900000000, 0.0002233100000000, 0.0000349400000000 ] - [ 0.0001100200000000, 0.0000157500000000, -0.0001423000000000 ] - [ -0.0001099600000000, -0.0001822700000000, -0.0001372800000000 ] - [ -0.0004054800000000, -0.0000207600000000, 0.0003598300000000 ] - [ 0.0000260300000000, 0.0001595700000000, -0.0000431900000000 ] - [ 0.0002082100000000, -0.0001552200000000, 0.0007765900000000 ] - [ -0.0000907000000000, -0.0002329400000000, 0.0001899400000000 ] - [ 0.0001569400000000, -0.0002762000000000, -0.0002237800000000 ] - [ -0.0016305100000000, -0.0008187700000000, -0.0002157300000000 ] - [ -0.0008440100000000, -0.0001934600000000, 0.0007716700000000 ] - [ -0.0005320700000000, -0.0001161300000000, 0.0000766000000000 ] - [ -0.0001376900000000, -0.0002078000000000, -0.0000618600000000 ] - [ -0.0000884900000000, -0.0002111800000000, -0.0000465500000000 ] - [ -0.0001728700000000, -0.0001301100000000, -0.0002166100000000 ] - [ -0.0001094800000000, 0.0001196500000000, -0.0000971300000000 ] - [ 0.0001703300000000, 0.0000649500000000, 0.0003022500000000 ] - [ 0.0000905100000000, 0.0000883700000000, 0.0002379000000000 ] - [ 0.0001234700000000, -0.0004990300000000, -0.0000525000000000 ] - [ 0.0001125400000000, -0.0001712900000000, -0.0000554500000000 ] - [ -0.0000987500000000, 0.0012120700000000, -0.0017607300000000 ] - [ 0.0001269200000000, 0.0001760800000000, -0.0000877700000000 ] - [ 0.0002263900000000, -0.0001065300000000, -0.0002928500000000 ] - [ 0.0000105600000000, -0.0001038000000000, -0.0002472400000000 ] - [ -0.0003874400000000, 0.0009860900000000, 0.0031138200000000 ] - [ -0.0001394700000000, -0.0001212600000000, -0.0000417900000000 ] - [ -0.0006344200000000, 0.0002783800000000, 0.0006046100000000 ] - [ 0.0001490300000000, 0.0001612700000000, 0.0002989600000000 ] - [ -0.0007308300000000, -0.0003942900000000, -0.0009046100000000 ] - [ -0.0006907000000000, -0.0002570300000000, -0.0002847500000000 ] - [ 0.0003552300000000, -0.0006937400000000, 0.0002553000000000 ] - [ 0.0009676900000000, -0.0005486900000000, 0.0003470200000000 ] - [ 0.0007003100000000, 0.0002631400000000, 0.0011331100000000 ] - [ 0.0006851400000000, 0.0001276700000000, 0.0000161400000000 ] - [ 0.0004500700000000, -0.0003998600000000, -0.0045044500000000 ] - [ 0.0006894700000000, -0.0001257100000000, -0.0003791300000000 ] - [ -0.0026977100000000, 0.0006332400000000, 0.0009908900000000 ] - [ 0.0007554900000000, 0.0002029900000000, 0.0004973200000000 ] - [ 0.0014929400000000, 0.0008233500000000, -0.0004612200000000 ] - [ 0.0000035100000000, 0.0007892600000000, -0.0003284000000000 ] - [ -0.0052827100000000, 0.0285255500000000, 0.0242692500000000 ] - [ -0.0007111700000000, 0.0002415900000000, 0.0000342000000000 ] - [ -0.0002516400000000, -0.0004134600000000, -0.0003711900000000 ] - [ -0.0009756000000000, -0.0002749400000000, -0.0002222600000000 ] - [ 0.0001005700000000, 0.0001177000000000, 0.0002143300000000 ] - [ -0.0000155000000000, 0.0000161300000000, 0.0000490500000000 ] - [ 0.0000393600000000, 0.0000117300000000, -0.0001609900000000 ] - [ -0.0000265600000000, -0.0000193500000000, -0.0000693000000000 ] - [ -0.0007627300000000, -0.0004033200000000, -0.0012160200000000 ] - [ 0.0001005400000000, -0.0000421400000000, -0.0000888800000000 ] - [ -0.0001504200000000, 0.0001551100000000, 0.0002388500000000 ] - [ 0.0000250100000000, 0.0000314200000000, 0.0000764500000000 ] - [ -0.0000336100000000, 0.0001469400000000, -0.0002829600000000 ] - [ 0.0000171700000000, -0.0000248600000000, -0.0000660500000000 ] - [ 0.0006635000000000, -0.0006067600000000, -0.0008178800000000 ] - [ -0.0001278100000000, -0.0000750300000000, -0.0001085600000000 ] - [ -0.0001337100000000, 0.0001636800000000, 0.0012896500000000 ] - [ -0.0001957900000000, 0.0000458800000000, 0.0000944400000000 ] - [ 0.0000201000000000, 0.0001756400000000, 0.0013663000000000 ] - [ 0.0001782900000000, 0.0001052200000000, 0.0001214400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0061734900000000, 0.0356915500000000, 0.0349051800000000 ] - [ 0.0000120600000000, -0.0003736100000000, -0.0000314700000000 ] - [ -0.0003900000000000, 0.0004628600000000, 0.0001291900000000 ] - [ 0.0004314600000000, 0.0005507400000000, 0.0001265100000000 ] - [ -0.0001197900000000, 0.0011064100000000, -0.0013220000000000 ] - [ -0.0000190200000000, 0.0005124600000000, -0.0001734700000000 ] - [ 0.0004394000000000, -0.0000981300000000, -0.0001772800000000 ] - [ -0.0002894900000000, -0.0001952100000000, -0.0000575800000000 ] - [ -0.0000554300000000, 0.0003666500000000, 0.0001127800000000 ] - [ 0.0000181900000000, 0.0003872300000000, 0.0001201900000000 ] - [ -0.0000393200000000, -0.0006280200000000, 0.0000394500000000 ] - [ -0.0000217300000000, -0.0004803600000000, -0.0000768100000000 ] - [ 0.0000725300000000, -0.0005872600000000, 0.0000835000000000 ] - [ -0.0000046200000000, -0.0005631800000000, 0.0000825800000000 ] - [ 0.0000066300000000, 0.0003441300000000, -0.0002314400000000 ] - [ 0.0000177900000000, 0.0004286900000000, -0.0001364800000000 ] - [ 0.0003312300000000, -0.0013033500000000, 0.0008639700000000 ] - [ 0.0000219500000000, -0.0000520100000000, 0.0001433500000000 ] - [ -0.0000748100000000, 0.0004228900000000, 0.0002544600000000 ] - [ 0.0002005500000000, 0.0002604500000000, 0.0000592600000000 ] - [ -0.0000244100000000, -0.0003084400000000, -0.0004642800000000 ] - [ -0.0000377900000000, 0.0000637500000000, 0.0000562700000000 ] - [ 0.0000280000000000, 0.0000331100000000, -0.0002062200000000 ] - [ -0.0000577600000000, 0.0001081600000000, -0.0002836700000000 ] - [ -0.0002270900000000, -0.0001755100000000, -0.0001049000000000 ] - [ 0.0001197200000000, -0.0001342000000000, -0.0000322600000000 ] - [ -0.0000780900000000, 0.0012175300000000, 0.0009125300000000 ] - [ -0.0000376600000000, -0.0000321000000000, 0.0001618700000000 ] - [ 0.0002377700000000, -0.0002231700000000, -0.0004215500000000 ] - [ -0.0000801000000000, -0.0001441200000000, -0.0002413400000000 ] - [ -0.0000163100000000, 0.0002067000000000, -0.0002577600000000 ] - [ 0.0000303200000000, 0.0000490500000000, 0.0000676300000000 ] - [ 0.0015220400000000, 0.0000152500000000, 0.0035352500000000 ] - [ 0.0004856500000000, 0.0001174300000000, 0.0000848600000000 ] - [ -0.0031233400000000, -0.0031088100000000, 0.0013883800000000 ] - [ 0.0000839200000000, 0.0002232700000000, 0.0001737200000000 ] - [ -0.0016774700000000, 0.0007167800000000, -0.0007009800000000 ] - [ 0.0006705600000000, -0.0000497500000000, 0.0000208200000000 ] - [ -0.0004144800000000, 0.0001683200000000, -0.0000315500000000 ] - [ -0.0012843100000000, 0.0004777100000000, -0.0002888300000000 ] - [ -0.0006316800000000, -0.0001626700000000, -0.0000079100000000 ] - [ -0.0004378300000000, -0.0002397100000000, 0.0000257200000000 ] - [ -0.0006977400000000, -0.0000088100000000, 0.0003033200000000 ] - [ -0.0005612500000000, 0.0000787300000000, 0.0000565000000000 ] - [ 0.0006406000000000, -0.0001712400000000, -0.0001532800000000 ] - [ 0.0004552500000000, 0.0000427300000000, -0.0000290300000000 ] - [ 0.0005261000000000, -0.0001894800000000, -0.0001358300000000 ] - [ 0.0005424300000000, -0.0001252500000000, -0.0000372400000000 ] - [ 0.0000723800000000, -0.0006134400000000, 0.0009963400000000 ] - [ 0.0001002300000000, -0.0001522000000000, 0.0005189100000000 ] - [ -0.0000108600000000, -0.0000268800000000, -0.0005019200000000 ] - [ 0.0002090600000000, -0.0000077200000000, -0.0004602800000000 ] - [ -0.0000789500000000, -0.0001697100000000, 0.0000959400000000 ] - [ -0.0000880900000000, 0.0000742100000000, 0.0004044800000000 ] - [ 0.0002415000000000, -0.0004376400000000, -0.0005154900000000 ] - [ -0.0002996100000000, -0.0004532000000000, -0.0005232400000000 ] - [ -0.0003515100000000, 0.0003464100000000, -0.0007842000000000 ] - [ 0.0000538700000000, 0.0002580100000000, -0.0007539200000000 ] - [ -0.0003259500000000, 0.0047400400000000, 0.0015001400000000 ] - [ -0.0000978900000000, -0.0001125900000000, 0.0005163500000000 ] - [ 0.0002604300000000, 0.0000836200000000, -0.0002341900000000 ] - [ 0.0000307600000000, 0.0000029400000000, -0.0002470100000000 ] - [ 0.0000959000000000, 0.0003649400000000, -0.0007375000000000 ] - [ 0.0000802200000000, 0.0001158900000000, 0.0003890900000000 ] - [ 0.0000107500000000, -0.0003037600000000, -0.0004236900000000 ] - [ 0.0000273600000000, -0.0002820100000000, -0.0003329200000000 ] - [ 0.0000197200000000, 0.0001714600000000, 0.0001017400000000 ] - [ 0.0000057100000000, 0.0001863700000000, 0.0001638100000000 ] - [ -0.0000170600000000, 0.0002886100000000, -0.0002469500000000 ] - [ -0.0000194100000000, 0.0002313100000000, -0.0002771100000000 ] - [ -0.0000469700000000, -0.0003560200000000, 0.0004776500000000 ] - [ -0.0000202300000000, -0.0003237400000000, 0.0004572400000000 ] - [ -0.0000362600000000, 0.0002978500000000, -0.0001414200000000 ] - [ 0.0000113500000000, 0.0003375500000000, -0.0001242500000000 ] - [ -0.0002714300000000, -0.0012288800000000, -0.0039347100000000 ] - [ -0.0000304400000000, -0.0002377100000000, -0.0003682800000000 ] - [ -0.0000192900000000, -0.0000784600000000, 0.0012158400000000 ] - [ 0.0000645400000000, -0.0001885600000000, 0.0009085300000000 ] - [ 0.0030766400000000, -0.0075232900000000, -0.0105218900000000 ] - [ 0.0000062200000000, 0.0002560600000000, -0.0002577600000000 ] - [ -0.0000084200000000, -0.0002410200000000, -0.0000332700000000 ] - [ 0.0000196200000000, -0.0002292000000000, 0.0000798400000000 ] - [ 0.0001479800000000, 0.0001731900000000, -0.0001963800000000 ] - [ -0.0000507100000000, 0.0000704800000000, -0.0002482600000000 ] - [ 0.0000394700000000, 0.0002294200000000, 0.0003219100000000 ] - [ -0.0000273500000000, 0.0002082500000000, 0.0001670600000000 ] - [ -0.0001735200000000, -0.0004493900000000, -0.0000700200000000 ] - [ 0.0000481000000000, -0.0002508000000000, -0.0000713600000000 ] - [ 0.0003415900000000, 0.0004544800000000, -0.0005850900000000 ] - [ -0.0000854000000000, 0.0002716200000000, -0.0001849500000000 ] - [ -0.0002827200000000, -0.0002793000000000, -0.0005296700000000 ] - [ 0.0000308200000000, -0.0001994100000000, 0.0000363300000000 ] - [ -0.0000966800000000, -0.0001547800000000, -0.0000025700000000 ] - [ 0.0016963400000000, 0.0003854900000000, -0.0000339000000000 ] - [ -0.0002391400000000, -0.0000025900000000, -0.0007614600000000 ] - [ -0.0005544900000000, -0.0000788900000000, -0.0000655100000000 ] - [ -0.0001009300000000, -0.0000747300000000, 0.0002003400000000 ] - [ -0.0001545500000000, -0.0000748600000000, 0.0001905500000000 ] - [ -0.0000613300000000, 0.0004103300000000, 0.0000735200000000 ] - [ -0.0001327400000000, 0.0001683900000000, -0.0000464900000000 ] - [ 0.0000735200000000, 0.0002270500000000, -0.0001569800000000 ] - [ 0.0001426700000000, 0.0001900500000000, -0.0000955400000000 ] - [ 0.0001173300000000, 0.0002139500000000, -0.0000864300000000 ] - [ 0.0001273300000000, -0.0001124400000000, -0.0000860200000000 ] - [ 0.0003474200000000, -0.0009253400000000, 0.0016219300000000 ] - [ 0.0001145800000000, 0.0001132200000000, -0.0000461400000000 ] - [ 0.0000189800000000, -0.0001897200000000, 0.0004299600000000 ] - [ 0.0002222600000000, -0.0001854300000000, 0.0003707200000000 ] - [ 0.0001073000000000, -0.0014225900000000, -0.0029415900000000 ] - [ -0.0001063000000000, -0.0001750300000000, -0.0000937400000000 ] - [ 0.0004038500000000, 0.0000108100000000, -0.0004705900000000 ] - [ -0.0004106100000000, 0.0001425400000000, -0.0001539800000000 ] - [ -0.0006371500000000, 0.0000255400000000, 0.0005943200000000 ] - [ -0.0006773100000000, -0.0001057700000000, -0.0000237100000000 ] - [ 0.0010154300000000, 0.0003292400000000, 0.0000585000000000 ] - [ 0.0003983900000000, 0.0001873400000000, -0.0000383400000000 ] - [ 0.0006686600000000, 0.0001022200000000, -0.0014317700000000 ] - [ 0.0006804300000000, 0.0002449600000000, -0.0003211300000000 ] - [ 0.0009288800000000, 0.0000284300000000, 0.0041858300000000 ] - [ 0.0006681200000000, -0.0002520900000000, 0.0000643900000000 ] - [ 0.0013385300000000, -0.0010208100000000, -0.0006712800000000 ] - [ -0.0021370100000000, -0.0005810800000000, -0.0001585600000000 ] - [ -0.0001261700000000, -0.0004574200000000, 0.0007765900000000 ] - [ 0.0013502100000000, -0.0003986100000000, 0.0006291200000000 ] - [ 0.0039087800000000, -0.0280258500000000, -0.0248472300000000 ] - [ -0.0006540000000000, 0.0001259800000000, -0.0003509900000000 ] - [ -0.0011135400000000, 0.0007917100000000, 0.0006769700000000 ] - [ -0.0003930800000000, 0.0006366300000000, 0.0005224400000000 ] - [ -0.0000980300000000, -0.0000076800000000, -0.0002156500000000 ] - [ 0.0000134800000000, 0.0000793400000000, -0.0000486700000000 ] - [ -0.0000392600000000, -0.0001170600000000, 0.0001618800000000 ] - [ 0.0000264600000000, -0.0000698900000000, 0.0000694100000000 ] - [ 0.0007605900000000, 0.0002947700000000, 0.0012197100000000 ] - [ -0.0001019600000000, -0.0000629100000000, 0.0000892000000000 ] - [ 0.0001431300000000, -0.0000488100000000, -0.0002421100000000 ] - [ -0.0000194200000000, 0.0000627300000000, -0.0000763500000000 ] - [ 0.0000485500000000, -0.0002441600000000, 0.0002834800000000 ] - [ -0.0000324900000000, -0.0000732300000000, 0.0000670300000000 ] - [ -0.0006611500000000, 0.0005105500000000, 0.0008195400000000 ] - [ 0.0001280400000000, -0.0000196900000000, 0.0001092200000000 ] - [ 0.0001754900000000, -0.0000922100000000, -0.0013004600000000 ] - [ 0.0001711800000000, 0.0000474800000000, -0.0000947000000000 ] - [ -0.0000415200000000, -0.0000679700000000, -0.0013809000000000 ] - [ -0.0001784100000000, -0.0000031200000000, -0.0001214500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010601600000000, -0.0013534500000000, -0.0004057800000000 ] - [ 0.0002476400000000, -0.0004381300000000, -0.0000989300000000 ] - [ 0.0003388000000000, 0.0001100200000000, 0.0002777800000000 ] - [ 0.0002094900000000, 0.0009737700000000, 0.0000017100000000 ] - [ -0.0004240600000000, 0.0005451700000000, -0.0001035200000000 ] - [ 0.0001777300000000, 0.0004381300000000, -0.0001131300000000 ] - [ 0.0000560800000000, -0.0006401000000000, 0.0000497000000000 ] - [ 0.0000267200000000, -0.0002397600000000, 0.0001359500000000 ] - [ 0.0001804600000000, 0.0009925100000000, 0.0003052600000000 ] - [ 0.0002089500000000, -0.0000617300000000, -0.0000409300000000 ] - [ -0.0008946700000000, -0.0006073500000000, -0.0001575500000000 ] - [ 0.0002201000000000, -0.0004435200000000, -0.0001132700000000 ] - [ 0.0001532800000000, -0.0002755200000000, -0.0000006200000000 ] - [ 0.0002288600000000, -0.0009047400000000, 0.0003139100000000 ] - [ -0.0002279600000000, 0.0004535500000000, -0.0000633200000000 ] - [ 0.0001996000000000, 0.0004455600000000, -0.0001072700000000 ] - [ -0.0267590400000000, 0.0248955400000000, 0.0067973600000000 ] - [ 0.0003538000000000, -0.0000676000000000, 0.0001035600000000 ] - [ 0.0000653300000000, -0.0000883200000000, -0.0001075500000000 ] - [ 0.0000661700000000, 0.0000545800000000, -0.0001222100000000 ] - [ -0.0001955300000000, -0.0000045400000000, 0.0001171900000000 ] - [ 0.0000927900000000, 0.0000181700000000, 0.0001078700000000 ] - [ 0.0001020700000000, 0.0000395700000000, -0.0001848700000000 ] - [ 0.0001352000000000, 0.0001287600000000, 0.0000342000000000 ] - [ 0.0006005200000000, 0.0002132800000000, 0.0000259000000000 ] - [ 0.0021768900000000, -0.0007494400000000, -0.0007725100000000 ] - [ -0.0002553500000000, -0.0001678000000000, 0.0000872700000000 ] - [ 0.0001152200000000, -0.0000526100000000, 0.0001024100000000 ] - [ 0.0000605100000000, -0.0000607800000000, -0.0001170300000000 ] - [ 0.0000609600000000, -0.0000906000000000, -0.0000934700000000 ] - [ -0.0004465100000000, 0.0000432900000000, 0.0000950100000000 ] - [ 0.0002540600000000, 0.0000970700000000, 0.0001029000000000 ] - [ 0.0009832200000000, 0.0068879000000000, 0.0032442000000000 ] - [ 0.0010589900000000, 0.0000937600000000, 0.0000173400000000 ] - [ 0.0069147600000000, -0.0065694200000000, -0.0006503300000000 ] - [ 0.0006075400000000, 0.0003254900000000, 0.0001697900000000 ] - [ 0.0005563900000000, -0.0004413800000000, 0.0001210000000000 ] - [ 0.0007869500000000, -0.0000295900000000, -0.0000424000000000 ] - [ -0.0002031800000000, 0.0000386800000000, -0.0000265100000000 ] - [ -0.0008545500000000, 0.0003026900000000, 0.0001849600000000 ] - [ -0.0000764500000000, 0.0000241700000000, 0.0000889900000000 ] - [ 0.0002210200000000, -0.0015992900000000, -0.0009715200000000 ] - [ -0.0009426100000000, 0.0002389000000000, 0.0000182500000000 ] - [ -0.0002406900000000, 0.0000090900000000, -0.0000059300000000 ] - [ 0.0004494600000000, 0.0001868500000000, -0.0000631800000000 ] - [ 0.0007434600000000, 0.0000310400000000, 0.0000000200000000 ] - [ 0.0000170500000000, -0.0001652100000000, -0.0000937700000000 ] - [ 0.0008568200000000, -0.0000877200000000, 0.0000607700000000 ] - [ -0.0001450100000000, -0.0001516600000000, 0.0004337100000000 ] - [ 0.0002481600000000, -0.0001395800000000, 0.0004675600000000 ] - [ 0.0003661900000000, 0.0001456100000000, 0.0000051000000000 ] - [ 0.0004073800000000, 0.0000547800000000, -0.0009901400000000 ] - [ -0.0007844000000000, 0.0003128900000000, 0.0009402900000000 ] - [ 0.0001705000000000, 0.0001115500000000, 0.0004114900000000 ] - [ -0.0000385300000000, -0.0000819200000000, -0.0004894000000000 ] - [ -0.0000749400000000, -0.0002227500000000, -0.0004307600000000 ] - [ -0.0000052700000000, -0.0000220300000000, -0.0003272000000000 ] - [ -0.0000978400000000, 0.0002078000000000, -0.0005289900000000 ] - [ -0.0023559000000000, -0.0016132200000000, -0.0036796800000000 ] - [ 0.0001868400000000, -0.0000885600000000, 0.0004416200000000 ] - [ 0.0004613600000000, -0.0001971300000000, -0.0010242500000000 ] - [ 0.0003739200000000, 0.0001054800000000, -0.0000320000000000 ] - [ -0.0001169300000000, 0.0000503900000000, 0.0004849700000000 ] - [ 0.0002447500000000, 0.0001191300000000, 0.0004714300000000 ] - [ -0.0005635200000000, -0.0003456200000000, -0.0001425500000000 ] - [ 0.0002424600000000, -0.0002360200000000, -0.0002961900000000 ] - [ 0.0000402500000000, 0.0003079300000000, 0.0003075400000000 ] - [ 0.0000443800000000, 0.0001341300000000, 0.0003131500000000 ] - [ -0.0003752300000000, 0.0003070700000000, -0.0003256900000000 ] - [ 0.0001913400000000, 0.0002181000000000, -0.0002925600000000 ] - [ 0.0003763100000000, 0.0000329900000000, 0.0000010200000000 ] - [ 0.0003865900000000, -0.0007852600000000, 0.0004821900000000 ] - [ 0.0001463500000000, 0.0001847100000000, 0.0003648700000000 ] - [ 0.0001282900000000, 0.0004411900000000, 0.0001837000000000 ] - [ -0.0002588100000000, -0.0003468000000000, -0.0003873300000000 ] - [ 0.0001517900000000, -0.0002428300000000, -0.0002961100000000 ] - [ 0.0002748100000000, -0.0006825300000000, 0.0002908500000000 ] - [ 0.0001460600000000, 0.0000345300000000, 0.0002764100000000 ] - [ -0.0031733600000000, -0.0005209300000000, 0.0005254700000000 ] - [ 0.0002921400000000, 0.0002554200000000, -0.0003150600000000 ] - [ -0.0003687500000000, -0.0001219500000000, 0.0000249400000000 ] - [ 0.0003745200000000, -0.0002582100000000, 0.0001418900000000 ] - [ 0.0002149000000000, 0.0002467800000000, -0.0001319600000000 ] - [ -0.0001401400000000, 0.0001307100000000, -0.0000679600000000 ] - [ -0.0004248200000000, 0.0001004900000000, 0.0001565300000000 ] - [ 0.0002572600000000, 0.0002269000000000, 0.0000686600000000 ] - [ 0.0022708600000000, 0.0012857400000000, 0.0005767100000000 ] - [ 0.0007138900000000, -0.0003917900000000, -0.0000846400000000 ] - [ -0.0000316800000000, 0.0001661200000000, -0.0001883600000000 ] - [ 0.0002846500000000, 0.0002684700000000, -0.0000398300000000 ] - [ -0.0003347600000000, -0.0002184900000000, 0.0001531600000000 ] - [ 0.0001969700000000, -0.0002291400000000, 0.0000802100000000 ] - [ 0.0003512600000000, -0.0003136100000000, -0.0001240500000000 ] - [ -0.0002463400000000, -0.0000799400000000, -0.0001466600000000 ] - [ -0.0008076500000000, -0.0002202700000000, 0.0000862500000000 ] - [ -0.0003212800000000, -0.0000556300000000, -0.0000268300000000 ] - [ -0.0002058800000000, -0.0002606400000000, -0.0000083800000000 ] - [ -0.0002189000000000, 0.0000093700000000, 0.0001400200000000 ] - [ 0.0001566900000000, 0.0001945500000000, -0.0000601600000000 ] - [ -0.0003271500000000, 0.0001634200000000, -0.0000870900000000 ] - [ 0.0000332200000000, -0.0000298600000000, 0.0001324000000000 ] - [ 0.0000721000000000, 0.0004472600000000, 0.0000202300000000 ] - [ 0.0027162000000000, 0.0029925200000000, 0.0016977300000000 ] - [ -0.0003339100000000, -0.0001292600000000, -0.0000313400000000 ] - [ 0.0007436700000000, 0.0002368400000000, 0.0003315100000000 ] - [ -0.0001871500000000, 0.0001249800000000, -0.0000505000000000 ] - [ 0.0000523900000000, -0.0000393800000000, 0.0000397400000000 ] - [ 0.0001286600000000, -0.0002503800000000, 0.0000752700000000 ] - [ 0.0003260200000000, 0.0001504100000000, -0.0001023000000000 ] - [ -0.0003840500000000, -0.0001531700000000, -0.0000879200000000 ] - [ -0.0015434000000000, 0.0004539500000000, 0.0003511600000000 ] - [ -0.0011685800000000, -0.0004914500000000, -0.0000558000000000 ] - [ 0.0008848200000000, -0.0002983000000000, -0.0004637300000000 ] - [ -0.0015702600000000, -0.0001760900000000, -0.0001778800000000 ] - [ -0.0016160500000000, -0.0012657900000000, -0.0005486600000000 ] - [ -0.0018668100000000, 0.0021094400000000, 0.0011627200000000 ] - [ 0.0019346600000000, 0.0003618700000000, -0.0001045100000000 ] - [ -0.0001064300000000, 0.0002578000000000, -0.0001180000000000 ] - [ 0.0015396000000000, -0.0000555500000000, -0.0001986000000000 ] - [ 0.0000461600000000, -0.0001820800000000, -0.0001239200000000 ] - [ -0.0013031700000000, 0.0007433800000000, -0.0001226200000000 ] - [ -0.0008037800000000, -0.0008874500000000, 0.0003207700000000 ] - [ 0.0000737400000000, 0.0004769100000000, 0.0006383800000000 ] - [ 0.0003247500000000, -0.0004834600000000, -0.0002701900000000 ] - [ 0.0206441500000000, -0.0244023400000000, -0.0083229400000000 ] - [ -0.0019444500000000, 0.0000939600000000, -0.0002206800000000 ] - [ -0.0008547100000000, -0.0000449600000000, 0.0002714800000000 ] - [ -0.0007747800000000, 0.0006989800000000, 0.0000031700000000 ] - [ -0.0000910700000000, -0.0008739800000000, 0.0010937100000000 ] - [ -0.0004774400000000, 0.0001290000000000, -0.0001628200000000 ] - [ 0.0002573500000000, 0.0001791400000000, 0.0000946700000000 ] - [ -0.0002343400000000, -0.0000898500000000, -0.0000456700000000 ] - [ -0.0000228800000000, 0.0003313400000000, -0.0012395000000000 ] - [ -0.0004039800000000, -0.0001794900000000, 0.0000899400000000 ] - [ 0.0010637400000000, 0.0003311600000000, -0.0005642800000000 ] - [ -0.0004327700000000, -0.0000175600000000, 0.0000982000000000 ] - [ 0.0001895600000000, -0.0000467600000000, -0.0000810000000000 ] - [ -0.0002055300000000, 0.0000239400000000, 0.0000473600000000 ] - [ 0.0004810600000000, -0.0006572300000000, 0.0013062700000000 ] - [ -0.0004317500000000, -0.0000186600000000, -0.0001132500000000 ] - [ 0.0001469500000000, 0.0002728400000000, 0.0001180400000000 ] - [ -0.0001989500000000, 0.0000170300000000, -0.0000202500000000 ] - [ 0.0003246000000000, -0.0002225800000000, -0.0001377500000000 ] - [ -0.0002570800000000, 0.0001241700000000, 0.0000577700000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011051000000000, 0.0004644100000000, 0.0001903700000000 ] - [ -0.0001879600000000, -0.0004649000000000, -0.0001173000000000 ] - [ -0.0002906600000000, 0.0007943200000000, -0.0000580000000000 ] - [ -0.0001593600000000, -0.0000703200000000, 0.0002174200000000 ] - [ 0.0003743400000000, 0.0003607200000000, -0.0001186600000000 ] - [ -0.0002287000000000, 0.0004665600000000, -0.0001060900000000 ] - [ -0.0001185500000000, -0.0002620300000000, 0.0001662600000000 ] - [ -0.0000767700000000, -0.0006648000000000, 0.0000845700000000 ] - [ -0.0002306900000000, -0.0000860400000000, -0.0000843800000000 ] - [ -0.0002598000000000, 0.0009692500000000, 0.0002620800000000 ] - [ 0.0008483800000000, -0.0003048500000000, -0.0000629500000000 ] - [ -0.0002710900000000, -0.0004629200000000, -0.0001065200000000 ] - [ -0.0001070000000000, -0.0006324000000000, 0.0002218900000000 ] - [ -0.0001796400000000, 0.0000009600000000, -0.0000948000000000 ] - [ 0.0002776000000000, 0.0004506700000000, -0.0001577400000000 ] - [ -0.0001502000000000, 0.0004586300000000, -0.0001133800000000 ] - [ 0.0272663700000000, -0.0249989700000000, -0.0065391400000000 ] - [ -0.0002739300000000, -0.0000249000000000, 0.0001090700000000 ] - [ 0.0000137300000000, 0.0001816000000000, -0.0001045100000000 ] - [ 0.0000148600000000, 0.0000379000000000, -0.0000908500000000 ] - [ 0.0001137500000000, 0.0000964700000000, 0.0000962500000000 ] - [ -0.0001741400000000, 0.0000746300000000, 0.0001047700000000 ] - [ -0.0001829800000000, -0.0001318700000000, -0.0000288200000000 ] - [ -0.0002159400000000, -0.0002215800000000, -0.0002485500000000 ] - [ -0.0006791000000000, -0.0001236000000000, -0.0002391700000000 ] - [ -0.0022912500000000, 0.0008453000000000, 0.0005670800000000 ] - [ 0.0001737700000000, 0.0000786800000000, 0.0001263300000000 ] - [ -0.0001953800000000, -0.0000376900000000, 0.0001124500000000 ] - [ 0.0000177300000000, -0.0000296200000000, -0.0000986200000000 ] - [ 0.0000195000000000, 0.0000008100000000, -0.0001209300000000 ] - [ 0.0005268700000000, 0.0000451500000000, 0.0001200800000000 ] - [ -0.0001756600000000, -0.0000078200000000, 0.0001111400000000 ] - [ 0.0001282200000000, -0.0067522800000000, -0.0032625900000000 ] - [ 0.0000303600000000, 0.0001085600000000, -0.0000045300000000 ] - [ -0.0067471600000000, 0.0068839900000000, 0.0008484100000000 ] - [ -0.0005402500000000, 0.0001104400000000, 0.0000443700000000 ] - [ 0.0005310000000000, 0.0002426200000000, -0.0001325700000000 ] - [ 0.0003043500000000, -0.0001701300000000, 0.0000304400000000 ] - [ -0.0008886900000000, 0.0001647100000000, 0.0000124600000000 ] - [ -0.0002349500000000, -0.0001030100000000, -0.0001955600000000 ] - [ -0.0010166700000000, -0.0002246100000000, -0.0001006200000000 ] - [ -0.0013168300000000, 0.0014128500000000, 0.0009698500000000 ] - [ -0.0001509000000000, -0.0000404300000000, -0.0000074300000000 ] - [ -0.0008509600000000, 0.0001911100000000, 0.0000176200000000 ] - [ 0.0006397200000000, 0.0000120500000000, 0.0000516000000000 ] - [ 0.0003478500000000, 0.0001701800000000, -0.0000128000000000 ] - [ 0.0010767200000000, -0.0000360500000000, 0.0001058600000000 ] - [ 0.0002344800000000, -0.0001137900000000, -0.0000486400000000 ] - [ 0.0003154700000000, -0.0000794100000000, 0.0004729400000000 ] - [ -0.0000726700000000, -0.0001013700000000, 0.0004367200000000 ] - [ -0.0001965500000000, 0.0000843300000000, -0.0009084500000000 ] - [ -0.0002386400000000, 0.0001762400000000, 0.0000888400000000 ] - [ 0.0006136400000000, -0.0000837600000000, -0.0000392000000000 ] - [ -0.0003419600000000, 0.0001196900000000, 0.0004943400000000 ] - [ -0.0001391500000000, -0.0001596300000000, -0.0004156800000000 ] - [ -0.0000960300000000, -0.0000078900000000, -0.0004756900000000 ] - [ -0.0001670200000000, 0.0002541300000000, -0.0005797400000000 ] - [ -0.0000730600000000, 0.0000238200000000, -0.0003780100000000 ] - [ 0.0021578800000000, 0.0013912400000000, 0.0046096400000000 ] - [ -0.0003588000000000, -0.0001448300000000, 0.0004642100000000 ] - [ -0.0002934900000000, -0.0000351200000000, 0.0001165300000000 ] - [ -0.0002035800000000, -0.0003400600000000, -0.0008747200000000 ] - [ 0.0002869700000000, 0.0001830000000000, 0.0004197400000000 ] - [ -0.0000748500000000, 0.0001132500000000, 0.0004351700000000 ] - [ 0.0006009700000000, -0.0001478900000000, -0.0004492100000000 ] - [ -0.0002099000000000, -0.0002574300000000, -0.0002976000000000 ] - [ -0.0000089700000000, 0.0001855300000000, 0.0002855600000000 ] - [ -0.0000118700000000, 0.0003602000000000, 0.0002798300000000 ] - [ 0.0003416100000000, 0.0001844300000000, -0.0002679000000000 ] - [ -0.0002249000000000, 0.0002737300000000, -0.0003001700000000 ] - [ -0.0004129900000000, -0.0005244000000000, 0.0005878500000000 ] - [ -0.0004223300000000, 0.0002976700000000, 0.0001086900000000 ] - [ -0.0001824200000000, 0.0003080100000000, 0.0002289400000000 ] - [ -0.0001628200000000, 0.0000508500000000, 0.0004094700000000 ] - [ 0.0002252700000000, -0.0001450900000000, -0.0002052900000000 ] - [ -0.0001723700000000, -0.0002418500000000, -0.0003018300000000 ] - [ -0.0002559600000000, 0.0001986400000000, 0.0003066400000000 ] - [ -0.0001121500000000, -0.0005256800000000, 0.0003165000000000 ] - [ 0.0031978700000000, 0.0010608800000000, -0.0011426700000000 ] - [ -0.0002591300000000, 0.0002348600000000, -0.0002787600000000 ] - [ 0.0004375900000000, -0.0003167400000000, 0.0001913900000000 ] - [ -0.0003061900000000, -0.0001801700000000, 0.0000721700000000 ] - [ -0.0001457400000000, 0.0001901500000000, -0.0000836200000000 ] - [ 0.0002114100000000, 0.0003080600000000, -0.0001469300000000 ] - [ 0.0003550100000000, 0.0003379800000000, 0.0000578200000000 ] - [ -0.0003292000000000, 0.0002098400000000, 0.0001470500000000 ] - [ -0.0023204600000000, -0.0017071300000000, -0.0007868800000000 ] - [ -0.0007882800000000, -0.0000446400000000, -0.0001300000000000 ] - [ -0.0000413100000000, 0.0002714200000000, -0.0000253800000000 ] - [ -0.0003553700000000, 0.0001687100000000, -0.0001748400000000 ] - [ 0.0002642900000000, -0.0002192500000000, 0.0000609100000000 ] - [ -0.0002716500000000, -0.0002075800000000, 0.0001238200000000 ] - [ -0.0002789300000000, -0.0001227300000000, -0.0000803300000000 ] - [ 0.0003200000000000, -0.0003561300000000, -0.0000682200000000 ] - [ -0.0002853800000000, 0.0000204900000000, -0.0000744800000000 ] - [ -0.0007711400000000, -0.0001448300000000, 0.0000392300000000 ] - [ -0.0000352100000000, -0.0000288500000000, 0.0001477600000000 ] - [ -0.0000230800000000, -0.0002997700000000, -0.0000005000000000 ] - [ -0.0003972500000000, 0.0000959200000000, -0.0000791200000000 ] - [ 0.0000859700000000, 0.0001284400000000, -0.0000518200000000 ] - [ 0.0002075500000000, 0.0003227800000000, 0.0000070700000000 ] - [ 0.0001662900000000, -0.0001570800000000, 0.0001191200000000 ] - [ -0.0025288600000000, -0.0033086400000000, -0.0018538900000000 ] - [ 0.0005753300000000, -0.0001620200000000, -0.0001095100000000 ] - [ -0.0005056400000000, 0.0000517700000000, -0.0004785700000000 ] - [ 0.0004282000000000, 0.0001671400000000, -0.0000899300000000 ] - [ 0.0001863000000000, -0.0002538800000000, 0.0000991200000000 ] - [ 0.0001096400000000, -0.0000411800000000, 0.0000640900000000 ] - [ -0.0005652900000000, -0.0004520000000000, -0.0000378000000000 ] - [ 0.0001444000000000, -0.0001410200000000, -0.0000518100000000 ] - [ 0.0012991100000000, -0.0001598300000000, -0.0002096300000000 ] - [ 0.0009251400000000, 0.0007904500000000, 0.0001996100000000 ] - [ -0.0022689200000000, -0.0000571200000000, 0.0001642500000000 ] - [ 0.0001912600000000, -0.0001812900000000, -0.0001241500000000 ] - [ 0.0029883000000000, 0.0009061100000000, 0.0008484000000000 ] - [ 0.0032572600000000, -0.0024862000000000, -0.0008701900000000 ] - [ -0.0005561500000000, -0.0000030700000000, -0.0001998200000000 ] - [ 0.0014824700000000, 0.0001042700000000, -0.0001868000000000 ] - [ -0.0001604800000000, -0.0003082400000000, -0.0001041200000000 ] - [ 0.0013355800000000, -0.0001834400000000, -0.0001856800000000 ] - [ -0.0000763400000000, -0.0011080100000000, 0.0004305300000000 ] - [ -0.0005818100000000, 0.0005263900000000, -0.0000145700000000 ] - [ 0.0013077100000000, -0.0001099600000000, -0.0003379600000000 ] - [ 0.0010504600000000, 0.0008465700000000, 0.0005710700000000 ] - [ -0.0223386800000000, 0.0248804700000000, 0.0080587200000000 ] - [ 0.0005674200000000, 0.0002744100000000, -0.0000790000000000 ] - [ -0.0005204000000000, 0.0004076900000000, 0.0000327000000000 ] - [ -0.0006069700000000, -0.0003432500000000, 0.0003019300000000 ] - [ 0.0000934100000000, 0.0009683400000000, -0.0010910800000000 ] - [ 0.0004777100000000, -0.0000340800000000, 0.0001640300000000 ] - [ -0.0002590100000000, -0.0002753400000000, -0.0000947400000000 ] - [ 0.0002337500000000, -0.0000057300000000, 0.0000452600000000 ] - [ 0.0000266200000000, -0.0004220900000000, 0.0012379200000000 ] - [ 0.0004041100000000, 0.0000868300000000, -0.0000908800000000 ] - [ -0.0010816800000000, -0.0002262600000000, 0.0005420200000000 ] - [ 0.0004332600000000, 0.0001115400000000, -0.0000976100000000 ] - [ -0.0001889200000000, -0.0000466700000000, 0.0000812500000000 ] - [ 0.0002048700000000, -0.0001174200000000, -0.0000477400000000 ] - [ -0.0004916800000000, 0.0005697000000000, -0.0013042100000000 ] - [ 0.0004312900000000, -0.0000724800000000, 0.0001127400000000 ] - [ -0.0001450200000000, -0.0001841000000000, -0.0001189800000000 ] - [ 0.0001960300000000, 0.0000725700000000, 0.0000203800000000 ] - [ -0.0003269500000000, 0.0003138800000000, 0.0001359900000000 ] - [ 0.0002566600000000, -0.0000277900000000, -0.0000575000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006218100000000, 0.0027494500000000, 0.0011334700000000 ] - [ 0.0000209500000000, -0.0004823400000000, -0.0001043700000000 ] - [ -0.0003853300000000, 0.0005632200000000, -0.0000984300000000 ] - [ 0.0005501600000000, 0.0004695400000000, -0.0002645800000000 ] - [ 0.0000490400000000, 0.0005190100000000, -0.0004653500000000 ] - [ -0.0000521300000000, 0.0004291500000000, -0.0000956000000000 ] - [ -0.0002020900000000, -0.0003828500000000, 0.0001906200000000 ] - [ 0.0002016500000000, -0.0004827000000000, 0.0002677300000000 ] - [ 0.0003378900000000, 0.0009545800000000, 0.0003304100000000 ] - [ -0.0006087600000000, 0.0011352600000000, 0.0002871700000000 ] - [ 0.0003837700000000, 0.0043155100000000, -0.0013831100000000 ] - [ -0.0000636700000000, -0.0004075500000000, -0.0001246300000000 ] - [ 0.0001998700000000, -0.0003104600000000, 0.0000136900000000 ] - [ -0.0002298600000000, -0.0000605400000000, -0.0000668000000000 ] - [ 0.0001142900000000, 0.0008726100000000, 0.0000521800000000 ] - [ -0.0000070500000000, 0.0004898000000000, -0.0001071700000000 ] - [ 0.0240383000000000, -0.1528194400000000, -0.0491817400000000 ] - [ 0.0000137300000000, -0.0002668900000000, 0.0000660400000000 ] - [ 0.0000276400000000, 0.0006573100000000, -0.0000355800000000 ] - [ 0.0001691700000000, 0.0006567900000000, -0.0000782300000000 ] - [ -0.0000853500000000, 0.0006269900000000, 0.0000428400000000 ] - [ -0.0000636200000000, 0.0001846200000000, 0.0001062600000000 ] - [ -0.0001209100000000, -0.0004550200000000, -0.0000164200000000 ] - [ -0.0002092200000000, -0.0007569600000000, -0.0001800300000000 ] - [ 0.0001318700000000, -0.0010486800000000, -0.0003434000000000 ] - [ -0.0008265800000000, -0.0014001700000000, -0.0002403500000000 ] - [ 0.0000874300000000, 0.0013425000000000, 0.0002434000000000 ] - [ -0.0000289300000000, 0.0001573400000000, 0.0001236000000000 ] - [ -0.0000092800000000, 0.0002831700000000, -0.0001158000000000 ] - [ 0.0000206600000000, 0.0002831000000000, -0.0001162100000000 ] - [ 0.0000367100000000, -0.0009532600000000, 0.0005233200000000 ] - [ -0.0000161900000000, -0.0001116100000000, 0.0001275000000000 ] - [ 0.0097351900000000, 0.0062332600000000, 0.0051310200000000 ] - [ 0.0003014900000000, -0.0000074400000000, 0.0000011400000000 ] - [ -0.0090006200000000, 0.0013371700000000, -0.0000418400000000 ] - [ 0.0001300100000000, 0.0000482000000000, 0.0000800200000000 ] - [ -0.0002660700000000, 0.0005479900000000, -0.0001781300000000 ] - [ 0.0007983200000000, 0.0000057700000000, -0.0001058000000000 ] - [ -0.0007430000000000, 0.0000400700000000, 0.0000065500000000 ] - [ 0.0001235100000000, -0.0003253600000000, 0.0005714500000000 ] - [ -0.0003749200000000, -0.0002026700000000, 0.0000328400000000 ] - [ -0.0043149100000000, 0.0012423800000000, 0.0014382200000000 ] - [ 0.0002169200000000, 0.0008492800000000, -0.0001685300000000 ] - [ -0.0007219900000000, 0.0002610700000000, -0.0000144300000000 ] - [ 0.0007621100000000, 0.0003788800000000, -0.0000933000000000 ] - [ 0.0004166400000000, 0.0002405100000000, 0.0000067200000000 ] - [ 0.0003778100000000, -0.0001894100000000, 0.0002652700000000 ] - [ 0.0005767100000000, -0.0001525900000000, 0.0000236600000000 ] - [ 0.0000814800000000, 0.0009804400000000, -0.0001576900000000 ] - [ 0.0000716100000000, 0.0000191100000000, 0.0004007600000000 ] - [ 0.0003866300000000, -0.0003420700000000, 0.0000418700000000 ] - [ -0.0003365200000000, -0.0003713800000000, 0.0001104600000000 ] - [ 0.0001159800000000, -0.0001114300000000, 0.0027649200000000 ] - [ -0.0001557200000000, 0.0000229200000000, 0.0004797000000000 ] - [ -0.0000653900000000, 0.0001376700000000, -0.0004394500000000 ] - [ -0.0001194000000000, 0.0002772900000000, -0.0004478000000000 ] - [ -0.0002201800000000, 0.0004139700000000, -0.0006513800000000 ] - [ 0.0000334000000000, 0.0004547800000000, -0.0006994600000000 ] - [ -0.0016902100000000, -0.0024211800000000, 0.0082559400000000 ] - [ -0.0001191800000000, -0.0002539100000000, 0.0004957400000000 ] - [ -0.0002428400000000, -0.0004763900000000, -0.0001108600000000 ] - [ 0.0002793400000000, -0.0007576300000000, -0.0002318400000000 ] - [ 0.0000899900000000, 0.0007223700000000, 0.0001533100000000 ] - [ 0.0000636700000000, 0.0002025800000000, 0.0004478400000000 ] - [ 0.0001631800000000, -0.0002935800000000, -0.0007182700000000 ] - [ -0.0000333100000000, -0.0002599600000000, -0.0003167500000000 ] - [ 0.0000906100000000, 0.0003805100000000, 0.0003333400000000 ] - [ -0.0000985200000000, 0.0004207600000000, 0.0003671000000000 ] - [ 0.0002189500000000, 0.0018105200000000, 0.0000048300000000 ] - [ -0.0000626500000000, 0.0003373400000000, -0.0003087200000000 ] - [ 0.0005004300000000, -0.0001958200000000, 0.0000226600000000 ] - [ -0.0007983800000000, -0.0000813200000000, 0.0000546600000000 ] - [ -0.0002184800000000, 0.0002052400000000, 0.0002440400000000 ] - [ 0.0000887800000000, 0.0000759000000000, 0.0003895400000000 ] - [ -0.0000481300000000, 0.0001508800000000, 0.0000962600000000 ] - [ -0.0000237000000000, -0.0002246800000000, -0.0002567900000000 ] - [ -0.0004018600000000, 0.0002118800000000, 0.0002790700000000 ] - [ 0.0005366100000000, 0.0001836400000000, 0.0001398500000000 ] - [ -0.0006730000000000, 0.0098737000000000, -0.0083791800000000 ] - [ -0.0000212000000000, 0.0001773500000000, -0.0003119900000000 ] - [ 0.0004065600000000, -0.0004002700000000, 0.0002673300000000 ] - [ -0.0001073400000000, -0.0002647500000000, 0.0001060500000000 ] - [ 0.0000784800000000, 0.0003164700000000, -0.0001096000000000 ] - [ -0.0000269400000000, 0.0004740500000000, -0.0000891100000000 ] - [ -0.0005342000000000, 0.0011330400000000, 0.0002047000000000 ] - [ 0.0000013500000000, 0.0003352800000000, 0.0000974000000000 ] - [ 0.0037597100000000, 0.0000816300000000, 0.0005013600000000 ] - [ -0.0004963100000000, -0.0003274600000000, -0.0001281900000000 ] - [ -0.0004285800000000, 0.0000650800000000, 0.0000464000000000 ] - [ 0.0000322700000000, 0.0000857300000000, -0.0000570800000000 ] - [ 0.0001395500000000, -0.0000045000000000, 0.0001579300000000 ] - [ -0.0001198600000000, -0.0001628100000000, 0.0001233200000000 ] - [ -0.0001950300000000, -0.0000720000000000, -0.0001140600000000 ] - [ 0.0007939900000000, 0.0005125600000000, -0.0003199500000000 ] - [ -0.0006917300000000, 0.0001340100000000, -0.0000479800000000 ] - [ -0.0004940300000000, -0.0000546300000000, 0.0000050500000000 ] - [ -0.0003103900000000, -0.0000197700000000, 0.0000061200000000 ] - [ 0.0000884200000000, -0.0000447500000000, -0.0000538400000000 ] - [ -0.0001909200000000, -0.0003112700000000, 0.0001047200000000 ] - [ -0.0000886800000000, 0.0000552400000000, -0.0000697200000000 ] - [ -0.0001432700000000, -0.0002417100000000, 0.0000957200000000 ] - [ 0.0004658300000000, -0.0004199100000000, 0.0001810900000000 ] - [ 0.0024410800000000, 0.0113308600000000, 0.0053216400000000 ] - [ 0.0002296000000000, -0.0000892900000000, -0.0000810500000000 ] - [ -0.0001090000000000, 0.0003035300000000, -0.0012427400000000 ] - [ 0.0001507100000000, 0.0002339200000000, -0.0000888200000000 ] - [ 0.0002489400000000, -0.0003220200000000, 0.0001116700000000 ] - [ -0.0000467200000000, -0.0002799800000000, 0.0000671300000000 ] - [ 0.0000780200000000, -0.0024899900000000, 0.0001444200000000 ] - [ -0.0000958300000000, -0.0002123700000000, -0.0000557000000000 ] - [ 0.0013926200000000, 0.0003768600000000, -0.0001381700000000 ] - [ -0.0017712800000000, 0.0010496100000000, 0.0004602600000000 ] - [ -0.0008165200000000, 0.0002951400000000, -0.0016000400000000 ] - [ -0.0005141200000000, -0.0000027200000000, -0.0001664800000000 ] - [ -0.0021655600000000, 0.0005600200000000, -0.0004099600000000 ] - [ 0.0050619100000000, 0.0003037400000000, -0.0002460200000000 ] - [ -0.0000203200000000, -0.0054643300000000, -0.0000132900000000 ] - [ 0.0008356200000000, -0.0002447300000000, -0.0000850000000000 ] - [ 0.0007317000000000, -0.0014547400000000, 0.0000469500000000 ] - [ 0.0007745700000000, -0.0003714200000000, -0.0001939200000000 ] - [ 0.0005033800000000, -0.0015038400000000, 0.0004625300000000 ] - [ -0.0021548700000000, -0.0014972900000000, 0.0009173800000000 ] - [ 0.0015613100000000, 0.0006577400000000, -0.0001682000000000 ] - [ -0.0000723800000000, 0.0014011100000000, -0.0004902400000000 ] - [ -0.0247439200000000, 0.1167988000000000, 0.0338854000000000 ] - [ -0.0005699000000000, 0.0006000800000000, -0.0001393900000000 ] - [ -0.0009738200000000, -0.0005355000000000, 0.0001980500000000 ] - [ -0.0003697900000000, -0.0007972500000000, 0.0001409500000000 ] - [ -0.0011960700000000, 0.0006812800000000, 0.0013994400000000 ] - [ 0.0002908400000000, 0.0001979100000000, 0.0001400200000000 ] - [ 0.0001422500000000, -0.0008763400000000, -0.0003570600000000 ] - [ -0.0000463600000000, -0.0002366000000000, -0.0000305500000000 ] - [ 0.0006350100000000, 0.0010734000000000, 0.0010732100000000 ] - [ -0.0000280900000000, 0.0002376200000000, 0.0000141000000000 ] - [ 0.0008139600000000, 0.0017765700000000, 0.0017282900000000 ] - [ -0.0000343200000000, 0.0003100200000000, 0.0000574800000000 ] - [ -0.0001564900000000, -0.0007672300000000, -0.0001533200000000 ] - [ 0.0000868900000000, -0.0003408700000000, -0.0000189600000000 ] - [ -0.0003060200000000, 0.0022924800000000, 0.0000493700000000 ] - [ 0.0001192300000000, 0.0002304200000000, 0.0000058700000000 ] - [ 0.0002319100000000, -0.0008901100000000, -0.0002101500000000 ] - [ -0.0001252500000000, -0.0002053800000000, -0.0000663700000000 ] - [ -0.0003590600000000, -0.0012203600000000, -0.0006061400000000 ] - [ 0.0001456700000000, -0.0001061200000000, -0.0000672700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006660200000000, -0.0036437100000000, -0.0013557500000000 ] - [ 0.0000336500000000, -0.0004277700000000, -0.0001106600000000 ] - [ 0.0004320600000000, 0.0003440800000000, 0.0003155900000000 ] - [ -0.0004762700000000, 0.0004183000000000, 0.0004657800000000 ] - [ -0.0001006000000000, 0.0003889300000000, 0.0002444000000000 ] - [ -0.0000189800000000, 0.0004553300000000, -0.0001070500000000 ] - [ 0.0001484100000000, -0.0005261700000000, 0.0000212200000000 ] - [ -0.0002505400000000, -0.0004301400000000, -0.0000490500000000 ] - [ -0.0003849300000000, -0.0000582400000000, -0.0001201200000000 ] - [ 0.0002037800000000, -0.0004046600000000, -0.0002648100000000 ] - [ -0.0004322300000000, -0.0052011100000000, 0.0011417700000000 ] - [ 0.0000119400000000, -0.0005114500000000, -0.0000921800000000 ] - [ -0.0001538500000000, -0.0006139900000000, 0.0002041600000000 ] - [ 0.0002856700000000, -0.0008707400000000, 0.0002825900000000 ] - [ 0.0002921900000000, -0.0001520900000000, -0.0000791400000000 ] - [ 0.0000524300000000, 0.0004096200000000, -0.0001096500000000 ] - [ -0.0258886400000000, 0.1584083500000000, 0.0514291200000000 ] - [ 0.0000616300000000, 0.0001630600000000, 0.0001440200000000 ] - [ 0.0000491300000000, -0.0005719100000000, -0.0001684100000000 ] - [ -0.0001298000000000, -0.0005282900000000, -0.0001744100000000 ] - [ 0.0000422000000000, -0.0005044400000000, 0.0002104500000000 ] - [ -0.0000147000000000, -0.0000957600000000, 0.0000933200000000 ] - [ 0.0000436000000000, 0.0003537400000000, -0.0002001500000000 ] - [ 0.0001408500000000, 0.0006497200000000, -0.0000303100000000 ] - [ -0.0002098700000000, 0.0011373500000000, 0.0001326200000000 ] - [ 0.0007677900000000, 0.0015048500000000, 0.0000323400000000 ] - [ -0.0001540700000000, -0.0014408900000000, -0.0000461800000000 ] - [ -0.0000478600000000, -0.0002572500000000, 0.0000933900000000 ] - [ 0.0000831600000000, -0.0003834700000000, -0.0001036300000000 ] - [ 0.0000470100000000, -0.0003878700000000, -0.0000848600000000 ] - [ 0.0000348300000000, 0.0010629200000000, -0.0003237000000000 ] - [ 0.0000895100000000, 0.0002012100000000, 0.0000868700000000 ] - [ -0.0088084200000000, -0.0061014300000000, -0.0052056100000000 ] - [ 0.0007850200000000, 0.0002095100000000, 0.0000104200000000 ] - [ 0.0091701300000000, -0.0008687700000000, 0.0002728300000000 ] - [ -0.0000506100000000, 0.0003870700000000, 0.0001162100000000 ] - [ 0.0013608800000000, -0.0007594200000000, 0.0001708500000000 ] - [ 0.0002812800000000, -0.0002251100000000, 0.0000885800000000 ] - [ -0.0003462900000000, 0.0001630200000000, -0.0000215100000000 ] - [ -0.0012216900000000, 0.0005284600000000, -0.0005853000000000 ] - [ -0.0007197800000000, -0.0000063300000000, -0.0000445100000000 ] - [ 0.0031525700000000, -0.0017854100000000, -0.0015982800000000 ] - [ -0.0012894500000000, -0.0006549400000000, 0.0001773300000000 ] - [ -0.0003716000000000, -0.0000654800000000, 0.0000251500000000 ] - [ 0.0003231300000000, -0.0001861100000000, 0.0000811400000000 ] - [ 0.0006741400000000, -0.0000429600000000, -0.0000231200000000 ] - [ 0.0007558300000000, -0.0003584700000000, -0.0000932100000000 ] - [ 0.0005078700000000, -0.0000554300000000, -0.0000163200000000 ] - [ 0.0000989900000000, -0.0012084800000000, 0.0010615700000000 ] - [ 0.0001144200000000, -0.0002561300000000, 0.0005051900000000 ] - [ -0.0002089100000000, 0.0005560900000000, -0.0009474100000000 ] - [ 0.0005342900000000, 0.0006130800000000, -0.0010216400000000 ] - [ -0.0002986600000000, 0.0003173400000000, -0.0018677600000000 ] - [ -0.0000348300000000, 0.0002200800000000, 0.0004235700000000 ] - [ -0.0001204400000000, -0.0003758100000000, -0.0004673300000000 ] - [ -0.0000632200000000, -0.0005128800000000, -0.0004678200000000 ] - [ 0.0000272200000000, -0.0002012200000000, -0.0002629800000000 ] - [ -0.0004892000000000, 0.0001062400000000, -0.0002379300000000 ] - [ 0.0015166800000000, 0.0022707900000000, -0.0073932500000000 ] - [ -0.0000594000000000, 0.0000238100000000, 0.0004033600000000 ] - [ 0.0004198100000000, 0.0002501700000000, -0.0007872800000000 ] - [ -0.0001007900000000, 0.0005282400000000, -0.0006757900000000 ] - [ 0.0003663400000000, -0.0001636900000000, 0.0007813700000000 ] - [ 0.0001283700000000, 0.0000084300000000, 0.0004609600000000 ] - [ -0.0001359600000000, -0.0002072000000000, 0.0001347100000000 ] - [ 0.0000618600000000, -0.0002425300000000, -0.0002827400000000 ] - [ -0.0000611300000000, 0.0001061800000000, 0.0002519700000000 ] - [ -0.0001893100000000, -0.0000100700000000, 0.0004356900000000 ] - [ 0.0000752900000000, -0.0014020100000000, -0.0008067400000000 ] - [ 0.0000288800000000, 0.0001502200000000, -0.0002793500000000 ] - [ -0.0005347100000000, -0.0003060100000000, 0.0005668000000000 ] - [ 0.0007710400000000, -0.0004175600000000, 0.0005323800000000 ] - [ 0.0001863400000000, 0.0002845700000000, 0.0003391400000000 ] - [ -0.0000936900000000, 0.0004021900000000, 0.0002258700000000 ] - [ 0.0000166800000000, -0.0006633700000000, -0.0006845700000000 ] - [ -0.0000038900000000, -0.0002786100000000, -0.0003402300000000 ] - [ 0.0004277100000000, -0.0007175100000000, 0.0003138900000000 ] - [ -0.0005098100000000, -0.0006924400000000, 0.0004465400000000 ] - [ 0.0007100500000000, -0.0095524200000000, 0.0079647100000000 ] - [ 0.0000209500000000, 0.0002978100000000, -0.0003033300000000 ] - [ -0.0003399500000000, -0.0000447100000000, -0.0000531700000000 ] - [ 0.0001849800000000, -0.0001776500000000, 0.0001097000000000 ] - [ -0.0000028800000000, 0.0001146500000000, -0.0001122800000000 ] - [ 0.0000520500000000, -0.0000367700000000, 0.0002680300000000 ] - [ 0.0005006500000000, -0.0006890600000000, -0.0003884500000000 ] - [ -0.0000764400000000, 0.0000957100000000, 0.0001195700000000 ] - [ -0.0038307500000000, -0.0005333400000000, -0.0007206700000000 ] - [ 0.0004362000000000, -0.0001149500000000, -0.0000871000000000 ] - [ 0.0003491600000000, 0.0003715000000000, -0.0002672900000000 ] - [ -0.0001007000000000, 0.0003440400000000, -0.0001399100000000 ] - [ -0.0002009500000000, -0.0003886200000000, 0.0000976200000000 ] - [ 0.0000464600000000, -0.0002834900000000, 0.0000846300000000 ] - [ 0.0002679300000000, -0.0003748600000000, -0.0000969300000000 ] - [ -0.0007355900000000, -0.0009084900000000, 0.0000604600000000 ] - [ -0.0003889000000000, -0.0003456400000000, 0.0000551400000000 ] - [ -0.0006013000000000, -0.0001677200000000, 0.0000081500000000 ] - [ 0.0000743200000000, -0.0002794800000000, 0.0001352400000000 ] - [ -0.0003511300000000, -0.0002868300000000, 0.0002080900000000 ] - [ -0.0000288500000000, 0.0005946200000000, -0.0002142900000000 ] - [ -0.0001496400000000, 0.0002281900000000, -0.0000696600000000 ] - [ 0.0003788500000000, 0.0005303400000000, 0.0000420400000000 ] - [ -0.0002475600000000, 0.0007019000000000, -0.0000723800000000 ] - [ -0.0019925600000000, -0.0109140700000000, -0.0050216400000000 ] - [ 0.0000134100000000, -0.0002183800000000, -0.0000618000000000 ] - [ 0.0003491700000000, -0.0000263500000000, 0.0010943800000000 ] - [ 0.0000900200000000, 0.0000507600000000, -0.0000617800000000 ] - [ -0.0000125100000000, 0.0000251800000000, 0.0000327000000000 ] - [ 0.0002700500000000, 0.0000035900000000, 0.0000770200000000 ] - [ -0.0003078900000000, 0.0022146800000000, -0.0002923400000000 ] - [ -0.0001408500000000, -0.0000810500000000, -0.0000891700000000 ] - [ -0.0016259500000000, -0.0000960700000000, 0.0002784900000000 ] - [ 0.0015236600000000, -0.0007689200000000, -0.0003147400000000 ] - [ -0.0005562100000000, -0.0006929300000000, 0.0013191200000000 ] - [ -0.0008712600000000, -0.0003793000000000, -0.0001384600000000 ] - [ 0.0035617600000000, -0.0009257700000000, 0.0007104200000000 ] - [ -0.0036903900000000, -0.0007007200000000, 0.0005319700000000 ] - [ 0.0014393400000000, 0.0057916800000000, -0.0003463600000000 ] - [ 0.0005529500000000, 0.0005993000000000, -0.0002275700000000 ] - [ 0.0006679500000000, 0.0011190200000000, -0.0003473400000000 ] - [ 0.0006109000000000, 0.0000170700000000, -0.0000993600000000 ] - [ -0.0018894200000000, 0.0011442700000000, -0.0001801600000000 ] - [ 0.0007500800000000, 0.0011612000000000, -0.0006208300000000 ] - [ -0.0001689600000000, -0.0003192300000000, 0.0004690100000000 ] - [ 0.0014472100000000, -0.0010564100000000, 0.0007861100000000 ] - [ 0.0251522500000000, -0.1229025100000000, -0.0367597000000000 ] - [ -0.0008201200000000, -0.0002515900000000, -0.0001557000000000 ] - [ -0.0004114100000000, 0.0008973100000000, 0.0001100300000000 ] - [ -0.0010621200000000, 0.0011498600000000, 0.0002185300000000 ] - [ 0.0012000200000000, -0.0006049900000000, -0.0014076800000000 ] - [ -0.0002945100000000, -0.0001533900000000, -0.0001417000000000 ] - [ -0.0000542500000000, 0.0020118900000000, 0.0006172400000000 ] - [ 0.0000572000000000, 0.0001406600000000, 0.0000336500000000 ] - [ -0.0006262400000000, -0.0011689600000000, -0.0010709500000000 ] - [ 0.0000156700000000, -0.0002682000000000, -0.0000345700000000 ] - [ -0.0008163600000000, -0.0016995700000000, -0.0017352600000000 ] - [ 0.0000356400000000, -0.0002361700000000, -0.0000600500000000 ] - [ 0.0001248100000000, 0.0007962000000000, 0.0001482700000000 ] - [ -0.0000672900000000, 0.0003497800000000, 0.0000211600000000 ] - [ 0.0003108900000000, -0.0023507500000000, -0.0000391000000000 ] - [ -0.0001365400000000, -0.0003014700000000, -0.0000180900000000 ] - [ -0.0002339300000000, 0.0009572400000000, 0.0002065700000000 ] - [ 0.0001389100000000, 0.0002686800000000, 0.0000763800000000 ] - [ 0.0003514500000000, 0.0012770400000000, 0.0006082200000000 ] - [ -0.0001480300000000, 0.0001990300000000, 0.0000647900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002053500000000, 0.0008491300000000, -0.0008739800000000 ] - [ 0.0000330300000000, -0.0004646800000000, -0.0001487800000000 ] - [ 0.0001013200000000, 0.0003692400000000, -0.0000600800000000 ] - [ -0.0001603300000000, 0.0000524200000000, -0.0002619400000000 ] - [ 0.0000993100000000, 0.0000029800000000, 0.0004638900000000 ] - [ -0.0000578700000000, 0.0004103400000000, -0.0000510500000000 ] - [ -0.0001379700000000, -0.0003630200000000, 0.0002137600000000 ] - [ 0.0001131000000000, -0.0003446300000000, 0.0002920000000000 ] - [ 0.0001181800000000, 0.0006613300000000, 0.0001055200000000 ] - [ -0.0003148000000000, 0.0008045900000000, 0.0000334000000000 ] - [ -0.0001265700000000, -0.0013219800000000, -0.0009171900000000 ] - [ -0.0000199700000000, -0.0004769200000000, -0.0001665900000000 ] - [ -0.0000906900000000, -0.0005908700000000, 0.0002461100000000 ] - [ 0.0003167300000000, -0.0009771800000000, 0.0004246200000000 ] - [ 0.0000495900000000, 0.0008319700000000, 0.0002582800000000 ] - [ 0.0000233800000000, 0.0004586300000000, -0.0000698600000000 ] - [ 0.0066743500000000, -0.0501721800000000, -0.0365840800000000 ] - [ 0.0000387200000000, -0.0000856100000000, 0.0000412600000000 ] - [ 0.0000570500000000, 0.0000731800000000, -0.0001854300000000 ] - [ 0.0000431700000000, 0.0001163000000000, -0.0001852500000000 ] - [ -0.0000517300000000, 0.0001086900000000, 0.0002566000000000 ] - [ -0.0000429300000000, 0.0000445700000000, 0.0001436000000000 ] - [ -0.0001191600000000, -0.0001369200000000, 0.0000820100000000 ] - [ 0.0000981200000000, 0.0000255500000000, 0.0005812300000000 ] - [ 0.0000908600000000, -0.0001946100000000, -0.0003260500000000 ] - [ -0.0007089600000000, -0.0000923400000000, -0.0009084900000000 ] - [ -0.0000219900000000, 0.0000962400000000, -0.0000515000000000 ] - [ -0.0000373800000000, -0.0000247800000000, 0.0000770400000000 ] - [ 0.0000279600000000, -0.0000326300000000, -0.0000349800000000 ] - [ 0.0000517400000000, -0.0000330900000000, -0.0000350900000000 ] - [ 0.0000280500000000, -0.0003739400000000, 0.0013795200000000 ] - [ 0.0000366800000000, 0.0000213100000000, 0.0001704000000000 ] - [ 0.0047246900000000, 0.0048200300000000, -0.0006952000000000 ] - [ 0.0004888000000000, 0.0000898800000000, -0.0000480100000000 ] - [ -0.0015541700000000, 0.0004599300000000, -0.0031696100000000 ] - [ 0.0000566500000000, 0.0001838600000000, -0.0000168600000000 ] - [ 0.0007043200000000, -0.0001829500000000, -0.0001702500000000 ] - [ 0.0005031800000000, -0.0001376600000000, -0.0000727400000000 ] - [ -0.0006492000000000, 0.0001192700000000, 0.0000571800000000 ] - [ 0.0001135700000000, 0.0002860300000000, 0.0006507200000000 ] - [ -0.0004450400000000, -0.0000872200000000, -0.0000476300000000 ] - [ -0.0026679100000000, 0.0011792500000000, 0.0000254200000000 ] - [ -0.0005666100000000, 0.0000559800000000, -0.0001888900000000 ] - [ -0.0005449200000000, 0.0001095700000000, -0.0000499100000000 ] - [ 0.0004963200000000, 0.0000245900000000, 0.0001062700000000 ] - [ 0.0006404300000000, 0.0000614400000000, 0.0000259600000000 ] - [ 0.0003335900000000, 0.0001302300000000, 0.0006246600000000 ] - [ 0.0005677800000000, -0.0000956800000000, 0.0000622500000000 ] - [ 0.0000585400000000, -0.0001123300000000, 0.0003674800000000 ] - [ 0.0000872500000000, -0.0000971200000000, 0.0004162000000000 ] - [ 0.0003768600000000, 0.0001788500000000, -0.0003862700000000 ] - [ -0.0003585600000000, 0.0002296000000000, -0.0003326100000000 ] - [ 0.0001622400000000, 0.0012752300000000, 0.0034838100000000 ] - [ -0.0001236000000000, 0.0001548200000000, 0.0005158400000000 ] - [ -0.0001200000000000, -0.0001130700000000, -0.0004563200000000 ] - [ -0.0000370500000000, -0.0001251200000000, -0.0004628800000000 ] - [ -0.0000444400000000, 0.0001166000000000, -0.0004540400000000 ] - [ -0.0001236800000000, 0.0000967100000000, -0.0004790600000000 ] - [ -0.0034777400000000, 0.0055091400000000, 0.0103578600000000 ] - [ -0.0000621500000000, -0.0001046500000000, 0.0003999100000000 ] - [ -0.0002899000000000, -0.0000436300000000, -0.0002605200000000 ] - [ 0.0005084400000000, 0.0000305100000000, -0.0002008900000000 ] - [ 0.0000992400000000, 0.0000329600000000, 0.0005839500000000 ] - [ 0.0000771600000000, 0.0001280300000000, 0.0004697500000000 ] - [ -0.0001784800000000, -0.0004210200000000, 0.0005788200000000 ] - [ 0.0000184800000000, -0.0002420600000000, -0.0002233700000000 ] - [ 0.0000546700000000, 0.0002846000000000, 0.0004517500000000 ] - [ -0.0000049600000000, 0.0002849200000000, 0.0005526000000000 ] - [ 0.0000079200000000, 0.0008522800000000, -0.0007667400000000 ] - [ -0.0000319200000000, 0.0002729000000000, -0.0003439200000000 ] - [ 0.0000513800000000, -0.0001872300000000, -0.0001334400000000 ] - [ 0.0000953700000000, -0.0002531300000000, -0.0006123700000000 ] - [ 0.0000522500000000, 0.0002429500000000, 0.0006425800000000 ] - [ -0.0002860400000000, 0.0000769800000000, 0.0010898700000000 ] - [ -0.0000020500000000, 0.0000886100000000, 0.0002708300000000 ] - [ -0.0000059200000000, -0.0002318500000000, -0.0002399200000000 ] - [ -0.0000737800000000, -0.0001343100000000, 0.0001066400000000 ] - [ 0.0001684900000000, -0.0000562700000000, -0.0000212600000000 ] - [ 0.0006760300000000, -0.0061742700000000, -0.0016147200000000 ] - [ -0.0000161100000000, 0.0002195900000000, -0.0003838800000000 ] - [ 0.0003702500000000, -0.0002019700000000, 0.0007914100000000 ] - [ 0.0000404300000000, -0.0002171700000000, 0.0002030700000000 ] - [ 0.0000177600000000, 0.0002114000000000, -0.0000621000000000 ] - [ -0.0000176600000000, 0.0001869700000000, 0.0000480400000000 ] - [ 0.0000124900000000, 0.0002693900000000, -0.0001189100000000 ] - [ -0.0000245600000000, 0.0002340500000000, 0.0000711800000000 ] - [ 0.0014301200000000, 0.0002242000000000, -0.0006397300000000 ] - [ -0.0002388700000000, -0.0001809600000000, -0.0002731300000000 ] - [ -0.0004539400000000, 0.0002765700000000, 0.0004791700000000 ] - [ 0.0000459900000000, 0.0002434200000000, 0.0000923800000000 ] - [ -0.0000723600000000, -0.0002387300000000, 0.0003247100000000 ] - [ -0.0000531600000000, -0.0002180900000000, 0.0001411100000000 ] - [ 0.0000400200000000, -0.0002155800000000, -0.0001531000000000 ] - [ 0.0000253000000000, -0.0002116200000000, -0.0003711000000000 ] - [ -0.0005259900000000, -0.0001912400000000, 0.0001923900000000 ] - [ -0.0005634200000000, -0.0001205100000000, 0.0000555500000000 ] - [ -0.0002221000000000, -0.0001670200000000, -0.0001476800000000 ] - [ -0.0000164700000000, -0.0002139300000000, -0.0003817300000000 ] - [ -0.0000936500000000, 0.0001849900000000, -0.0002756200000000 ] - [ -0.0001330200000000, 0.0001446100000000, -0.0000985500000000 ] - [ 0.0001268000000000, 0.0001031300000000, 0.0001888200000000 ] - [ 0.0001178900000000, 0.0000811500000000, 0.0002572300000000 ] - [ 0.0014979100000000, 0.0052362600000000, 0.0045514800000000 ] - [ 0.0001598400000000, -0.0001545400000000, -0.0000290400000000 ] - [ -0.0000636300000000, -0.0003543400000000, -0.0018827700000000 ] - [ 0.0001128700000000, 0.0001491700000000, -0.0001212100000000 ] - [ 0.0000957900000000, -0.0001466500000000, -0.0000385700000000 ] - [ 0.0001426100000000, -0.0001048800000000, -0.0000843700000000 ] - [ -0.0001760400000000, 0.0002001700000000, 0.0003852700000000 ] - [ -0.0001097700000000, -0.0001440900000000, -0.0000372200000000 ] - [ 0.0002416000000000, 0.0001411200000000, 0.0002709200000000 ] - [ -0.0007801800000000, 0.0003337800000000, 0.0007188200000000 ] - [ -0.0005229500000000, -0.0009022100000000, -0.0039717000000000 ] - [ -0.0006742300000000, -0.0001998800000000, -0.0003773200000000 ] - [ -0.0005435800000000, -0.0003504200000000, 0.0005773100000000 ] - [ 0.0028552500000000, -0.0007626400000000, 0.0014828900000000 ] - [ 0.0007198800000000, 0.0001237700000000, 0.0010105700000000 ] - [ 0.0006862700000000, 0.0001380200000000, -0.0000037500000000 ] - [ 0.0006451200000000, 0.0000442000000000, -0.0012322700000000 ] - [ 0.0007153900000000, -0.0001715900000000, -0.0002900700000000 ] - [ -0.0007850700000000, -0.0002053800000000, 0.0005328800000000 ] - [ -0.0006568400000000, -0.0000602600000000, 0.0008219300000000 ] - [ 0.0013834700000000, 0.0000155400000000, -0.0006493000000000 ] - [ -0.0000893000000000, -0.0001406100000000, -0.0014308200000000 ] - [ -0.0090567700000000, 0.0357511700000000, 0.0280064900000000 ] - [ -0.0006825700000000, 0.0002273000000000, 0.0000647100000000 ] - [ -0.0005997800000000, 0.0002776700000000, -0.0001322100000000 ] - [ -0.0007946600000000, 0.0005025600000000, -0.0002797200000000 ] - [ 0.0010024700000000, 0.0011176500000000, -0.0002297200000000 ] - [ -0.0001977000000000, 0.0001191300000000, 0.0000922300000000 ] - [ 0.0000826400000000, -0.0003360600000000, -0.0001256600000000 ] - [ -0.0000345500000000, -0.0000800600000000, -0.0000310200000000 ] - [ -0.0011360200000000, 0.0007102100000000, -0.0007911100000000 ] - [ 0.0002099500000000, 0.0000585100000000, -0.0000445500000000 ] - [ -0.0003165300000000, 0.0008563300000000, 0.0011282300000000 ] - [ 0.0000927900000000, 0.0000920000000000, 0.0000490800000000 ] - [ -0.0000883300000000, -0.0001752900000000, -0.0000480700000000 ] - [ 0.0000516100000000, -0.0000966600000000, -0.0000419100000000 ] - [ 0.0015562100000000, 0.0009008200000000, -0.0018894800000000 ] - [ -0.0000767200000000, 0.0000012300000000, -0.0000340600000000 ] - [ 0.0001254000000000, -0.0001857200000000, -0.0000207400000000 ] - [ -0.0000724300000000, 0.0000024200000000, 0.0000126300000000 ] - [ -0.0001408500000000, -0.0004638700000000, -0.0001432100000000 ] - [ 0.0000445000000000, 0.0000162100000000, 0.0000130800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002547900000000, -0.0017371400000000, 0.0006611600000000 ] - [ 0.0000180000000000, -0.0004423700000000, -0.0000730400000000 ] - [ -0.0000369800000000, 0.0005324200000000, 0.0002713600000000 ] - [ 0.0002309100000000, 0.0008431700000000, 0.0004690200000000 ] - [ -0.0001640200000000, 0.0008941100000000, -0.0006805200000000 ] - [ -0.0000129700000000, 0.0004870700000000, -0.0001611800000000 ] - [ 0.0000863200000000, -0.0005437300000000, 0.0000082200000000 ] - [ -0.0001650600000000, -0.0005639800000000, -0.0000691900000000 ] - [ -0.0001700300000000, 0.0002455600000000, 0.0001146000000000 ] - [ 0.0002617500000000, 0.0001056700000000, 0.0001871600000000 ] - [ 0.0000760900000000, 0.0004100500000000, 0.0006969500000000 ] - [ -0.0000319900000000, -0.0004297000000000, -0.0000553500000000 ] - [ 0.0001426100000000, -0.0003152000000000, -0.0000243900000000 ] - [ -0.0002672900000000, 0.0000753400000000, -0.0002046500000000 ] - [ 0.0000030200000000, 0.0000814100000000, -0.0004803100000000 ] - [ 0.0000283800000000, 0.0004494600000000, -0.0001522800000000 ] - [ -0.0066856600000000, 0.0503814500000000, 0.0368043000000000 ] - [ 0.0000428400000000, -0.0000058600000000, 0.0001716500000000 ] - [ 0.0000249400000000, 0.0000186100000000, -0.0000297300000000 ] - [ 0.0000401200000000, -0.0000242400000000, -0.0000297500000000 ] - [ -0.0000304400000000, -0.0000178800000000, -0.0000421100000000 ] - [ -0.0000401100000000, 0.0000459300000000, 0.0000709000000000 ] - [ 0.0000380100000000, 0.0000445200000000, -0.0002955700000000 ] - [ -0.0001827400000000, -0.0001188800000000, -0.0007952800000000 ] - [ -0.0001738300000000, 0.0002811800000000, 0.0001071000000000 ] - [ 0.0006316400000000, 0.0001756400000000, 0.0006848300000000 ] - [ -0.0000598900000000, -0.0001818400000000, 0.0002654300000000 ] - [ -0.0000450700000000, -0.0000625500000000, 0.0001370500000000 ] - [ 0.0000542100000000, -0.0000546600000000, -0.0001806400000000 ] - [ 0.0000302800000000, -0.0000538500000000, -0.0001808000000000 ] - [ 0.0000531200000000, 0.0004624700000000, -0.0011552300000000 ] - [ 0.0000441500000000, 0.0000669400000000, 0.0000466200000000 ] - [ -0.0036307400000000, -0.0046228400000000, 0.0007445400000000 ] - [ 0.0006011100000000, 0.0001081400000000, 0.0000593500000000 ] - [ 0.0015784500000000, 0.0000104600000000, 0.0033764900000000 ] - [ 0.0000193900000000, 0.0002524100000000, 0.0002097900000000 ] - [ 0.0003827100000000, -0.0000191100000000, 0.0001525500000000 ] - [ 0.0005866700000000, -0.0000680000000000, 0.0000555500000000 ] - [ -0.0004435100000000, 0.0000796100000000, -0.0000702100000000 ] - [ -0.0012059800000000, -0.0000894100000000, -0.0006604700000000 ] - [ -0.0006470300000000, -0.0001113500000000, 0.0000340500000000 ] - [ 0.0015655800000000, -0.0013689000000000, -0.0000420800000000 ] - [ -0.0005245400000000, 0.0001437100000000, 0.0002000800000000 ] - [ -0.0005462100000000, 0.0000904700000000, 0.0000613200000000 ] - [ 0.0005952800000000, 0.0001767000000000, -0.0001185900000000 ] - [ 0.0004492500000000, 0.0001398500000000, -0.0000387800000000 ] - [ 0.0007550900000000, -0.0003260900000000, -0.0006108600000000 ] - [ 0.0005228500000000, -0.0001031600000000, -0.0000497200000000 ] - [ 0.0001095900000000, -0.0001183800000000, 0.0005352100000000 ] - [ 0.0000800400000000, -0.0001335600000000, 0.0004854000000000 ] - [ -0.0002010200000000, 0.0000664500000000, -0.0005182600000000 ] - [ 0.0005321000000000, 0.0000200600000000, -0.0005714800000000 ] - [ -0.0003322800000000, -0.0010169000000000, -0.0025579800000000 ] - [ -0.0000530200000000, 0.0000944800000000, 0.0003851000000000 ] - [ -0.0000476600000000, -0.0001176000000000, -0.0004459000000000 ] - [ -0.0001303500000000, -0.0001048700000000, -0.0004389700000000 ] - [ -0.0001237500000000, 0.0001177500000000, -0.0004508700000000 ] - [ -0.0000438200000000, 0.0001373200000000, -0.0004254500000000 ] - [ 0.0033879300000000, -0.0058689500000000, -0.0096278300000000 ] - [ -0.0001057400000000, -0.0001284200000000, 0.0005014600000000 ] - [ 0.0004558300000000, -0.0001896700000000, -0.0006372600000000 ] - [ -0.0003414200000000, -0.0002657300000000, -0.0006977300000000 ] - [ 0.0000684100000000, 0.0002015200000000, 0.0003160100000000 ] - [ 0.0000900300000000, 0.0001061300000000, 0.0004315800000000 ] - [ 0.0002122300000000, -0.0000663100000000, -0.0011663900000000 ] - [ 0.0000129800000000, -0.0002475000000000, -0.0003658800000000 ] - [ -0.0000232500000000, 0.0002080800000000, 0.0001386400000000 ] - [ 0.0000357300000000, 0.0002081400000000, 0.0000374400000000 ] - [ -0.0000386900000000, -0.0003592000000000, 0.0001726500000000 ] - [ 0.0000003200000000, 0.0002170700000000, -0.0002475400000000 ] - [ -0.0000841300000000, -0.0003011400000000, 0.0007220600000000 ] - [ -0.0001283600000000, -0.0002343200000000, 0.0012009700000000 ] - [ -0.0000671600000000, 0.0002360700000000, -0.0000443300000000 ] - [ 0.0002722300000000, 0.0003968000000000, -0.0004837400000000 ] - [ -0.0000290400000000, -0.0005808200000000, -0.0008607000000000 ] - [ -0.0000256900000000, -0.0002593200000000, -0.0003510800000000 ] - [ 0.0001030400000000, -0.0003519600000000, 0.0004834500000000 ] - [ -0.0001356100000000, -0.0004313700000000, 0.0006103000000000 ] - [ -0.0006569900000000, 0.0066275300000000, 0.0009736400000000 ] - [ 0.0000261100000000, 0.0002550600000000, -0.0002203500000000 ] - [ -0.0002906500000000, -0.0002345500000000, -0.0005741700000000 ] - [ 0.0000330700000000, -0.0002210400000000, 0.0000101900000000 ] - [ 0.0000579500000000, 0.0002287500000000, -0.0001512300000000 ] - [ 0.0000936100000000, 0.0002542700000000, -0.0002615400000000 ] - [ -0.0000872200000000, 0.0001706000000000, 0.0003309000000000 ] - [ -0.0000523700000000, 0.0002056900000000, 0.0001415700000000 ] - [ -0.0015095800000000, -0.0006655900000000, 0.0004175000000000 ] - [ 0.0001629800000000, -0.0002574400000000, 0.0000577600000000 ] - [ 0.0003818900000000, 0.0001598200000000, -0.0006773700000000 ] - [ -0.0001233300000000, 0.0001933100000000, -0.0002859700000000 ] - [ -0.0000037800000000, -0.0002004500000000, -0.0001122200000000 ] - [ -0.0000236300000000, -0.0002212800000000, 0.0000715700000000 ] - [ 0.0000352100000000, -0.0002220600000000, -0.0000609600000000 ] - [ 0.0000539100000000, -0.0002253200000000, 0.0001562100000000 ] - [ -0.0005633100000000, -0.0000145000000000, -0.0001778200000000 ] - [ -0.0005268000000000, -0.0000862000000000, -0.0000397200000000 ] - [ -0.0000209900000000, -0.0001258500000000, 0.0002866200000000 ] - [ -0.0002235300000000, -0.0000819600000000, 0.0005193700000000 ] - [ -0.0001460300000000, 0.0001031900000000, 0.0001340500000000 ] - [ -0.0001054900000000, 0.0001455600000000, -0.0000417200000000 ] - [ 0.0001126600000000, 0.0001884300000000, -0.0000498800000000 ] - [ 0.0001212000000000, 0.0002094100000000, -0.0001179600000000 ] - [ -0.0012183600000000, -0.0053405400000000, -0.0046550200000000 ] - [ 0.0000837100000000, -0.0001416300000000, -0.0001099400000000 ] - [ 0.0003040100000000, 0.0006511700000000, 0.0017418400000000 ] - [ 0.0001301000000000, 0.0001444400000000, -0.0000244100000000 ] - [ 0.0001429700000000, -0.0001453900000000, 0.0001774300000000 ] - [ 0.0000948600000000, -0.0001843400000000, 0.0002218700000000 ] - [ -0.0000629800000000, -0.0005024200000000, -0.0005237800000000 ] - [ -0.0001270800000000, -0.0001475700000000, -0.0001012100000000 ] - [ -0.0004716300000000, 0.0001528000000000, -0.0001322200000000 ] - [ 0.0005294300000000, -0.0000375800000000, -0.0005732700000000 ] - [ -0.0008584800000000, 0.0005260600000000, 0.0036527900000000 ] - [ -0.0007022000000000, -0.0001667200000000, 0.0000710400000000 ] - [ 0.0019252300000000, -0.0000107300000000, -0.0002703600000000 ] - [ -0.0014697700000000, 0.0004003900000000, -0.0011702900000000 ] - [ 0.0006608800000000, 0.0002332600000000, -0.0013117800000000 ] - [ 0.0006972000000000, 0.0002181700000000, -0.0003012300000000 ] - [ 0.0007357000000000, -0.0004071800000000, 0.0009309000000000 ] - [ 0.0006686100000000, -0.0001904800000000, -0.0000142600000000 ] - [ -0.0005919500000000, -0.0001656300000000, -0.0002267800000000 ] - [ -0.0007305700000000, -0.0003039000000000, -0.0005137900000000 ] - [ -0.0000025800000000, 0.0003527700000000, 0.0009487500000000 ] - [ 0.0014737800000000, 0.0005128600000000, 0.0017227500000000 ] - [ 0.0077591500000000, -0.0357826800000000, -0.0280538900000000 ] - [ -0.0006968300000000, 0.0001401900000000, -0.0003662700000000 ] - [ -0.0007828300000000, 0.0000770400000000, 0.0004340100000000 ] - [ -0.0005855600000000, -0.0001514200000000, 0.0005823000000000 ] - [ -0.0010042600000000, -0.0010249500000000, 0.0002217300000000 ] - [ 0.0001993800000000, -0.0000266900000000, -0.0000934100000000 ] - [ -0.0000825300000000, 0.0002389400000000, 0.0001263000000000 ] - [ 0.0000348900000000, -0.0000143100000000, 0.0000309100000000 ] - [ 0.0011298500000000, -0.0007961800000000, 0.0007949200000000 ] - [ -0.0002078800000000, -0.0001442000000000, 0.0000438300000000 ] - [ 0.0002660800000000, -0.0007359300000000, -0.0012084700000000 ] - [ -0.0000913700000000, 0.0000010500000000, -0.0000503100000000 ] - [ 0.0000877800000000, 0.0000802100000000, 0.0000488600000000 ] - [ -0.0000508300000000, 0.0000035700000000, 0.0000417300000000 ] - [ -0.0015589400000000, -0.0009795000000000, 0.0018991500000000 ] - [ 0.0000822200000000, -0.0000884800000000, 0.0000347700000000 ] - [ -0.0001250000000000, 0.0002755100000000, 0.0000178300000000 ] - [ 0.0000720500000000, 0.0000889400000000, -0.0000140200000000 ] - [ 0.0001393600000000, 0.0005537000000000, 0.0001389600000000 ] - [ -0.0000434000000000, 0.0000765600000000, -0.0000145700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0074934500000000, -0.0116731800000000, -0.0010654900000000 ] - [ 0.0005812600000000, -0.0003241100000000, -0.0000543200000000 ] - [ 0.0004852600000000, 0.0004288100000000, 0.0002574000000000 ] - [ 0.0006831200000000, 0.0017347800000000, -0.0021105900000000 ] - [ -0.0004731100000000, 0.0003258000000000, 0.0001681100000000 ] - [ 0.0003302600000000, 0.0004590700000000, -0.0001181700000000 ] - [ 0.0003683000000000, -0.0005613800000000, -0.0000226800000000 ] - [ 0.0001018900000000, 0.0001192700000000, 0.0008498100000000 ] - [ 0.0001816900000000, 0.0006216600000000, 0.0001947800000000 ] - [ -0.0001827900000000, 0.0003164600000000, 0.0000011400000000 ] - [ -0.0004481200000000, -0.0000049300000000, -0.0002594400000000 ] - [ 0.0002742700000000, -0.0004774200000000, -0.0001220800000000 ] - [ 0.0002761400000000, -0.0003530200000000, 0.0000169100000000 ] - [ -0.0000821500000000, -0.0005944600000000, 0.0002044100000000 ] - [ -0.0002149400000000, 0.0005638100000000, -0.0000908900000000 ] - [ 0.0002389500000000, 0.0004339400000000, -0.0001053100000000 ] - [ 0.0004390600000000, 0.0092654700000000, 0.0043003400000000 ] - [ 0.0005488400000000, -0.0002946000000000, 0.0000502300000000 ] - [ 0.0002775400000000, -0.0002010500000000, -0.0000637500000000 ] - [ 0.0000526400000000, 0.0008607600000000, -0.0002672500000000 ] - [ -0.0002983800000000, -0.0000954800000000, 0.0000874700000000 ] - [ 0.0001851700000000, 0.0001032400000000, 0.0001251400000000 ] - [ 0.0003058800000000, 0.0001416700000000, -0.0002066700000000 ] - [ -0.0003451800000000, -0.0007181400000000, 0.0005523000000000 ] - [ 0.0004330700000000, 0.0002214700000000, -0.0000064300000000 ] - [ 0.0007340600000000, -0.0036958400000000, -0.0022184000000000 ] - [ -0.0004346600000000, -0.0008094200000000, 0.0001279900000000 ] - [ 0.0002659700000000, 0.0001260400000000, 0.0001062800000000 ] - [ 0.0002350500000000, -0.0001776800000000, -0.0002032100000000 ] - [ -0.0000557800000000, 0.0001663800000000, -0.0000577600000000 ] - [ -0.0004943900000000, 0.0002194300000000, -0.0001033700000000 ] - [ 0.0003477200000000, 0.0000179900000000, 0.0001304300000000 ] - [ -0.1636506200000000, -0.0168077100000000, -0.0286137800000000 ] - [ 0.0013612800000000, 0.0001343000000000, 0.0000729900000000 ] - [ 0.0029092200000000, 0.0007007000000000, 0.0011575800000000 ] - [ 0.0018541400000000, 0.0001313600000000, 0.0000276200000000 ] - [ 0.0013509900000000, -0.0005418600000000, 0.0003111400000000 ] - [ 0.0013572600000000, 0.0002395500000000, -0.0004323900000000 ] - [ 0.0001327900000000, 0.0000486700000000, 0.0000214800000000 ] - [ -0.0020889600000000, 0.0000377100000000, 0.0018134600000000 ] - [ -0.0000383900000000, -0.0000299100000000, 0.0000589700000000 ] - [ -0.0019277400000000, -0.0003415700000000, -0.0001831700000000 ] - [ -0.0006862400000000, 0.0001092800000000, 0.0000387600000000 ] - [ -0.0002590300000000, 0.0001036200000000, -0.0000284600000000 ] - [ 0.0006111100000000, 0.0001028400000000, -0.0001257600000000 ] - [ 0.0006132000000000, 0.0001219500000000, 0.0000566800000000 ] - [ -0.0000992200000000, -0.0000387300000000, -0.0000076100000000 ] - [ 0.0009879900000000, -0.0001215600000000, 0.0000498500000000 ] - [ -0.0003777000000000, -0.0000280300000000, 0.0002590900000000 ] - [ 0.0003716000000000, -0.0000779100000000, 0.0004813000000000 ] - [ 0.0003633000000000, 0.0002093100000000, -0.0003413500000000 ] - [ -0.0000295600000000, -0.0000928600000000, -0.0010416900000000 ] - [ -0.0004061800000000, 0.0003585800000000, 0.0009386600000000 ] - [ 0.0002099800000000, 0.0000361300000000, 0.0003791000000000 ] - [ 0.0001793100000000, -0.0001964700000000, -0.0005081100000000 ] - [ -0.0001829100000000, 0.0000392100000000, -0.0003311700000000 ] - [ 0.0002032600000000, -0.0000603600000000, -0.0002617500000000 ] - [ -0.0002709800000000, 0.0006200400000000, -0.0009766900000000 ] - [ 0.0060225600000000, 0.0054940900000000, -0.0080186700000000 ] - [ 0.0004768000000000, -0.0002002400000000, 0.0005663000000000 ] - [ 0.0007753700000000, -0.0000920900000000, -0.0008207500000000 ] - [ 0.0019667600000000, -0.0011725500000000, 0.0030948300000000 ] - [ -0.0002832800000000, -0.0001432000000000, 0.0006777100000000 ] - [ 0.0003810600000000, 0.0001844700000000, 0.0004478000000000 ] - [ -0.0004749200000000, -0.0001949000000000, -0.0002268900000000 ] - [ 0.0003060900000000, -0.0002694500000000, -0.0002775300000000 ] - [ 0.0001632300000000, 0.0002561500000000, 0.0002589400000000 ] - [ -0.0000953600000000, 0.0002498600000000, 0.0003454400000000 ] - [ -0.0002849300000000, 0.0003283600000000, -0.0001898100000000 ] - [ 0.0002274200000000, 0.0002494700000000, -0.0003296100000000 ] - [ 0.0003275900000000, -0.0001348900000000, 0.0002763600000000 ] - [ -0.0002129900000000, -0.0007936500000000, 0.0005058400000000 ] - [ 0.0003421100000000, 0.0002022600000000, 0.0002253600000000 ] - [ -0.0002272800000000, 0.0002355400000000, 0.0007269700000000 ] - [ -0.0006348600000000, -0.0006867700000000, -0.0008349600000000 ] - [ 0.0003523500000000, -0.0001872000000000, -0.0002016100000000 ] - [ 0.0006747600000000, -0.0005304500000000, 0.0004257900000000 ] - [ 0.0017042800000000, 0.0028697400000000, -0.0008320500000000 ] - [ 0.0009359000000000, -0.0015532900000000, 0.0082451800000000 ] - [ 0.0005680000000000, 0.0002909000000000, -0.0004922500000000 ] - [ -0.0001574500000000, -0.0000467200000000, 0.0000166700000000 ] - [ 0.0003509100000000, -0.0003365200000000, 0.0001916700000000 ] - [ 0.0004253400000000, 0.0002350500000000, -0.0001705800000000 ] - [ -0.0003817100000000, 0.0002455600000000, -0.0000101000000000 ] - [ -0.0007927200000000, 0.0003238800000000, 0.0001794500000000 ] - [ 0.0004423000000000, 0.0002024600000000, 0.0000538700000000 ] - [ 0.0006540900000000, 0.0001903200000000, 0.0001151600000000 ] - [ 0.0005160800000000, -0.0005927400000000, -0.0001761200000000 ] - [ 0.0005526300000000, 0.0001404000000000, -0.0004609500000000 ] - [ 0.0006264200000000, 0.0002089600000000, 0.0004234300000000 ] - [ -0.0009360500000000, -0.0002535500000000, 0.0003507300000000 ] - [ 0.0004789900000000, -0.0001972100000000, 0.0000577400000000 ] - [ 0.0006843900000000, -0.0002874200000000, -0.0001436600000000 ] - [ -0.0016231000000000, 0.0007247200000000, -0.0006043300000000 ] - [ -0.0006795500000000, -0.0002693700000000, 0.0000584800000000 ] - [ -0.0001496100000000, 0.0000300300000000, -0.0000531000000000 ] - [ -0.0003713900000000, -0.0002498700000000, 0.0001042300000000 ] - [ 0.0000636800000000, 0.0000911400000000, 0.0000087200000000 ] - [ 0.0002552500000000, 0.0001291700000000, -0.0000192500000000 ] - [ -0.0004249800000000, 0.0001271000000000, -0.0001137800000000 ] - [ -0.0001659000000000, 0.0001476500000000, 0.0000448300000000 ] - [ 0.0003367800000000, 0.0000572400000000, 0.0000512100000000 ] - [ 0.0004292800000000, -0.0014678800000000, -0.0007790100000000 ] - [ -0.0003279500000000, -0.0000385700000000, 0.0000100400000000 ] - [ 0.0014214300000000, 0.0006286600000000, 0.0015299000000000 ] - [ -0.0005015300000000, 0.0001307300000000, -0.0001243000000000 ] - [ -0.0001738000000000, -0.0000361800000000, 0.0000725200000000 ] - [ 0.0003264800000000, -0.0004178200000000, 0.0000123200000000 ] - [ 0.0010277100000000, 0.0015694600000000, -0.0011125000000000 ] - [ -0.0007331900000000, -0.0002815900000000, -0.0000426600000000 ] - [ -0.0013216300000000, 0.0001484000000000, 0.0000589600000000 ] - [ 0.0047271900000000, 0.0000301900000000, -0.0004239900000000 ] - [ 0.0006099000000000, -0.0007928900000000, -0.0003347300000000 ] - [ -0.0017532800000000, 0.0000010200000000, -0.0002028700000000 ] - [ -0.0007511200000000, -0.0007708500000000, -0.0002050000000000 ] - [ 0.0013193700000000, 0.0027742600000000, 0.0014147000000000 ] - [ 0.0021072000000000, 0.0002115200000000, -0.0000686000000000 ] - [ -0.0004000100000000, 0.0000827300000000, -0.0000754900000000 ] - [ 0.0022725800000000, 0.0005163000000000, -0.0002877400000000 ] - [ -0.0005642200000000, -0.0003955800000000, -0.0001495500000000 ] - [ -0.0025688200000000, 0.0005462100000000, -0.0002783200000000 ] - [ -0.0009659500000000, -0.0046013600000000, 0.0034669500000000 ] - [ -0.0011589600000000, 0.0002922200000000, 0.0007168100000000 ] - [ 0.0004109700000000, 0.0000758100000000, -0.0048034300000000 ] - [ 0.1328949100000000, 0.0159215300000000, 0.0261420900000000 ] - [ -0.0034800700000000, 0.0001917400000000, -0.0002733400000000 ] - [ -0.0014293800000000, 0.0002291900000000, 0.0004147400000000 ] - [ -0.0002263800000000, 0.0000370000000000, -0.0001515600000000 ] - [ -0.0004374300000000, -0.0009989500000000, 0.0003469700000000 ] - [ -0.0004471900000000, 0.0005724000000000, -0.0001670400000000 ] - [ 0.0005003300000000, -0.0001354400000000, 0.0000194500000000 ] - [ -0.0003841600000000, -0.0000511500000000, -0.0000031100000000 ] - [ -0.0006076800000000, -0.0002652000000000, -0.0009298800000000 ] - [ -0.0005162100000000, 0.0001056100000000, 0.0003533400000000 ] - [ 0.0024742000000000, 0.0013660600000000, -0.0003763200000000 ] - [ -0.0006232300000000, 0.0000247300000000, -0.0000164600000000 ] - [ 0.0000452900000000, 0.0000857800000000, -0.0001127500000000 ] - [ -0.0002020200000000, -0.0002277500000000, 0.0001207200000000 ] - [ 0.0018254500000000, 0.0000217600000000, 0.0001715700000000 ] - [ -0.0006047500000000, -0.0000489600000000, -0.0000029100000000 ] - [ -0.0004699700000000, 0.0010275300000000, 0.0006368700000000 ] - [ -0.0005542700000000, -0.0004852000000000, -0.0002892100000000 ] - [ 0.0024250200000000, -0.0014784900000000, -0.0007062500000000 ] - [ -0.0006271300000000, 0.0000790200000000, 0.0000406300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0073474400000000, 0.0105695800000000, 0.0008300400000000 ] - [ -0.0005460700000000, -0.0005828000000000, -0.0001664800000000 ] - [ -0.0004763800000000, 0.0005026100000000, -0.0000169700000000 ] - [ -0.0006350000000000, -0.0008366000000000, 0.0023417000000000 ] - [ 0.0004612200000000, 0.0006051600000000, -0.0004085500000000 ] - [ -0.0003746200000000, 0.0004430600000000, -0.0000975300000000 ] - [ -0.0004069300000000, -0.0003349400000000, 0.0002385800000000 ] - [ -0.0001422900000000, -0.0010224800000000, -0.0006387300000000 ] - [ -0.0002406400000000, 0.0002659600000000, 0.0000125000000000 ] - [ 0.0001409600000000, 0.0005843500000000, 0.0002161800000000 ] - [ 0.0004019800000000, -0.0008961900000000, 0.0000435100000000 ] - [ -0.0003200600000000, -0.0004204000000000, -0.0000919000000000 ] - [ -0.0002315900000000, -0.0005465300000000, 0.0001989900000000 ] - [ 0.0001313800000000, -0.0003079200000000, 0.0000120900000000 ] - [ 0.0002577800000000, 0.0003351700000000, -0.0001268400000000 ] - [ -0.0001800900000000, 0.0004550900000000, -0.0001019800000000 ] - [ -0.0004140000000000, -0.0092745900000000, -0.0040533100000000 ] - [ -0.0004749400000000, 0.0001995100000000, 0.0001630500000000 ] - [ -0.0002043800000000, 0.0003056600000000, -0.0001490000000000 ] - [ 0.0000281300000000, -0.0007671700000000, 0.0000554100000000 ] - [ 0.0002207500000000, 0.0001952000000000, 0.0001255500000000 ] - [ -0.0002620400000000, -0.0000013000000000, 0.0000893100000000 ] - [ -0.0003833700000000, -0.0002451700000000, -0.0000036700000000 ] - [ 0.0002729000000000, 0.0006231700000000, -0.0007681100000000 ] - [ -0.0005100300000000, -0.0001234500000000, -0.0002066500000000 ] - [ -0.0008056300000000, 0.0038073600000000, 0.0020151100000000 ] - [ 0.0003555200000000, 0.0007123500000000, 0.0000854600000000 ] - [ -0.0003438200000000, -0.0002262700000000, 0.0001040800000000 ] - [ -0.0001592000000000, 0.0000790100000000, -0.0000078900000000 ] - [ 0.0001364800000000, -0.0002640800000000, -0.0001558200000000 ] - [ 0.0005684200000000, -0.0001240100000000, 0.0003171500000000 ] - [ -0.0002714600000000, 0.0000791600000000, 0.0000838800000000 ] - [ 0.1578977400000000, 0.0158359300000000, 0.0265542300000000 ] - [ -0.0002705000000000, 0.0000587300000000, -0.0000631700000000 ] - [ -0.0028702400000000, -0.0002692700000000, -0.0009028200000000 ] - [ -0.0018067900000000, 0.0003033100000000, 0.0001981800000000 ] - [ -0.0002635800000000, 0.0003645900000000, -0.0003123700000000 ] - [ -0.0002669100000000, -0.0004370800000000, 0.0004243400000000 ] - [ -0.0012322900000000, 0.0001449100000000, -0.0000352100000000 ] - [ 0.0010215400000000, 0.0001578900000000, -0.0018096000000000 ] - [ -0.0010623300000000, -0.0001761200000000, -0.0000748800000000 ] - [ 0.0008364800000000, 0.0001449500000000, 0.0001716900000000 ] - [ -0.0004112800000000, 0.0000891300000000, -0.0000254300000000 ] - [ -0.0008367800000000, 0.0000947400000000, 0.0000419100000000 ] - [ 0.0004833800000000, 0.0000968100000000, 0.0001118000000000 ] - [ 0.0004836000000000, 0.0000775600000000, -0.0000707700000000 ] - [ 0.0011958500000000, -0.0001597400000000, 0.0000188300000000 ] - [ 0.0001089800000000, -0.0000847100000000, -0.0000327100000000 ] - [ 0.0005466700000000, -0.0001987500000000, 0.0006478200000000 ] - [ -0.0002042400000000, -0.0001461300000000, 0.0004247800000000 ] - [ -0.0002080700000000, -0.0000070900000000, -0.0005575900000000 ] - [ 0.0001986700000000, 0.0003201600000000, 0.0001393900000000 ] - [ 0.0002496000000000, -0.0001560100000000, -0.0000425800000000 ] - [ -0.0003787000000000, 0.0001906800000000, 0.0005282600000000 ] - [ -0.0003479700000000, -0.0000281400000000, -0.0003993900000000 ] - [ 0.0000155400000000, -0.0002656800000000, -0.0005755100000000 ] - [ -0.0003851200000000, 0.0003061000000000, -0.0006530800000000 ] - [ 0.0001035800000000, -0.0003947500000000, 0.0000703600000000 ] - [ -0.0061144300000000, -0.0056298500000000, 0.0087720500000000 ] - [ -0.0006514400000000, -0.0000270600000000, 0.0003380600000000 ] - [ -0.0006050000000000, -0.0001395000000000, -0.0000917600000000 ] - [ -0.0018157600000000, 0.0009592700000000, -0.0040393900000000 ] - [ 0.0004538900000000, 0.0003734800000000, 0.0002331500000000 ] - [ -0.0002026500000000, 0.0000586900000000, 0.0004635200000000 ] - [ 0.0005137500000000, -0.0003041700000000, -0.0003792800000000 ] - [ -0.0002656000000000, -0.0002306200000000, -0.0003349500000000 ] - [ -0.0001423400000000, 0.0002345900000000, 0.0003625700000000 ] - [ 0.0001378500000000, 0.0002495100000000, 0.0002617100000000 ] - [ 0.0002427200000000, 0.0001694800000000, -0.0004174800000000 ] - [ -0.0002501200000000, 0.0002386300000000, -0.0002928200000000 ] - [ -0.0003699500000000, -0.0003634500000000, 0.0003340200000000 ] - [ 0.0001757800000000, 0.0002984600000000, 0.0000994900000000 ] - [ -0.0004207800000000, 0.0003059200000000, 0.0003429300000000 ] - [ 0.0001887300000000, 0.0002638100000000, -0.0001199600000000 ] - [ 0.0005906500000000, 0.0001889000000000, 0.0002216500000000 ] - [ -0.0004004600000000, -0.0003137700000000, -0.0004011400000000 ] - [ -0.0006282500000000, 0.0000319700000000, 0.0001826000000000 ] - [ -0.0016772300000000, -0.0034006800000000, 0.0014514600000000 ] - [ -0.0008924300000000, 0.0020316600000000, -0.0087197600000000 ] - [ -0.0005278000000000, 0.0002060300000000, -0.0001140000000000 ] - [ 0.0002126600000000, -0.0003856200000000, 0.0002038100000000 ] - [ -0.0002950800000000, -0.0000966000000000, 0.0000260800000000 ] - [ -0.0003703800000000, 0.0001974400000000, -0.0000328800000000 ] - [ 0.0004430400000000, 0.0001895500000000, -0.0002114600000000 ] - [ 0.0007337900000000, 0.0001101700000000, 0.0000416000000000 ] - [ -0.0004998500000000, 0.0002295900000000, 0.0001505900000000 ] - [ -0.0007111900000000, -0.0006223100000000, -0.0003360300000000 ] - [ -0.0005762300000000, 0.0001601900000000, -0.0000429700000000 ] - [ -0.0006200100000000, 0.0002914900000000, 0.0002031200000000 ] - [ -0.0006902900000000, 0.0002252800000000, -0.0006521500000000 ] - [ 0.0008813100000000, -0.0001768600000000, -0.0001296100000000 ] - [ -0.0005379700000000, -0.0002331500000000, 0.0001707500000000 ] - [ -0.0006318000000000, -0.0001394900000000, -0.0000834700000000 ] - [ 0.0017003500000000, -0.0011513900000000, 0.0003766400000000 ] - [ -0.0004093700000000, 0.0000910300000000, -0.0000565000000000 ] - [ -0.0009428400000000, -0.0002267600000000, 0.0000648900000000 ] - [ 0.0001386400000000, -0.0000216300000000, 0.0000417500000000 ] - [ -0.0003061000000000, -0.0003765400000000, 0.0001320400000000 ] - [ -0.0004931200000000, 0.0001550100000000, -0.0001179500000000 ] - [ 0.0001856100000000, 0.0001581900000000, -0.0000285400000000 ] - [ 0.0004060600000000, 0.0001385000000000, 0.0000973400000000 ] - [ -0.0001011300000000, 0.0002293200000000, 0.0000873100000000 ] - [ -0.0001942600000000, 0.0011967000000000, 0.0006326100000000 ] - [ 0.0005682000000000, -0.0002459000000000, -0.0001502600000000 ] - [ -0.0011856300000000, -0.0003391900000000, -0.0016510300000000 ] - [ 0.0007451400000000, 0.0001574400000000, -0.0000144800000000 ] - [ 0.0004246800000000, -0.0002703900000000, 0.0000700300000000 ] - [ -0.0000906500000000, 0.0001308300000000, 0.0001270000000000 ] - [ -0.0012680300000000, -0.0018798100000000, 0.0009655200000000 ] - [ 0.0004945500000000, -0.0000098700000000, -0.0000914000000000 ] - [ 0.0010937800000000, 0.0001408700000000, 0.0000595300000000 ] - [ -0.0056631200000000, 0.0003154600000000, 0.0006959400000000 ] - [ -0.0019875200000000, 0.0004406100000000, 0.0000455600000000 ] - [ 0.0003718800000000, -0.0003616600000000, -0.0001056000000000 ] - [ 0.0021359900000000, 0.0004200000000000, 0.0004988900000000 ] - [ 0.0000499400000000, -0.0031427600000000, -0.0011105600000000 ] - [ -0.0007233700000000, 0.0001507400000000, -0.0002394900000000 ] - [ 0.0017727700000000, 0.0002827800000000, -0.0002270200000000 ] - [ -0.0009055300000000, -0.0009142600000000, -0.0000100900000000 ] - [ 0.0019360300000000, 0.0000181700000000, -0.0001676400000000 ] - [ 0.0012145200000000, -0.0009549600000000, 0.0005811600000000 ] - [ -0.0004326300000000, 0.0042549300000000, -0.0031759800000000 ] - [ 0.0025520300000000, 0.0000836400000000, -0.0003733400000000 ] - [ 0.0009404400000000, 0.0002923300000000, 0.0051433700000000 ] - [ -0.1267418700000000, -0.0143739100000000, -0.0245019400000000 ] - [ 0.0021176000000000, 0.0001771100000000, -0.0000323700000000 ] - [ 0.0000558200000000, 0.0001356200000000, -0.0001139500000000 ] - [ -0.0011581900000000, 0.0003243000000000, 0.0004612100000000 ] - [ 0.0004371200000000, 0.0011014900000000, -0.0003475600000000 ] - [ 0.0004469600000000, -0.0004753400000000, 0.0001679600000000 ] - [ -0.0005019900000000, 0.0000319600000000, -0.0000199800000000 ] - [ 0.0003850600000000, -0.0000505200000000, 0.0000034500000000 ] - [ 0.0006093200000000, 0.0001303200000000, 0.0009306000000000 ] - [ 0.0005160400000000, -0.0002077400000000, -0.0003564000000000 ] - [ -0.0024855800000000, -0.0012541900000000, 0.0003686100000000 ] - [ 0.0006257100000000, 0.0000764800000000, 0.0000166400000000 ] - [ -0.0000381600000000, -0.0001924300000000, 0.0001123800000000 ] - [ 0.0001952300000000, 0.0001275300000000, -0.0001212000000000 ] - [ -0.0018605600000000, -0.0001141300000000, -0.0001628900000000 ] - [ 0.0006360500000000, -0.0000468400000000, 0.0000020800000000 ] - [ 0.0004638100000000, -0.0009295500000000, -0.0006342400000000 ] - [ 0.0005595500000000, 0.0005860200000000, 0.0002910400000000 ] - [ -0.0024376100000000, 0.0015667300000000, 0.0007019000000000 ] - [ 0.0006288300000000, 0.0000241500000000, -0.0000407300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0083522200000000, 0.0016782300000000, -0.0000668000000000 ] - [ 0.0001306400000000, -0.0006378100000000, -0.0001293600000000 ] - [ -0.0000067200000000, 0.0002598000000000, 0.0000648700000000 ] - [ 0.0005507500000000, -0.0002663400000000, -0.0007038100000000 ] - [ -0.0000398500000000, 0.0000112500000000, -0.0000180900000000 ] - [ 0.0000085500000000, 0.0003427800000000, -0.0000928600000000 ] - [ -0.0000884500000000, -0.0006985800000000, 0.0001807800000000 ] - [ 0.0002601900000000, -0.0011143100000000, 0.0005070000000000 ] - [ 0.0000265400000000, 0.0006718800000000, 0.0001729700000000 ] - [ -0.0001502700000000, 0.0009538100000000, 0.0002514300000000 ] - [ 0.0002032000000000, 0.0006902700000000, -0.0000022800000000 ] - [ -0.0000466200000000, -0.0003077900000000, -0.0000893700000000 ] - [ 0.0000962400000000, -0.0002674200000000, 0.0000532600000000 ] - [ -0.0002919600000000, 0.0002997700000000, -0.0001598700000000 ] - [ 0.0000637600000000, 0.0008229600000000, -0.0002008900000000 ] - [ 0.0000324800000000, 0.0005704000000000, -0.0001347900000000 ] - [ 0.0069180500000000, 0.0061493400000000, 0.0048654700000000 ] - [ 0.0000334300000000, -0.0001567500000000, 0.0000981300000000 ] - [ -0.0000299900000000, 0.0001536900000000, -0.0001374500000000 ] - [ 0.0003812300000000, 0.0006963300000000, -0.0001844700000000 ] - [ -0.0001598900000000, 0.0002838000000000, 0.0001917200000000 ] - [ 0.0000037200000000, 0.0000930400000000, 0.0001208300000000 ] - [ 0.0000210800000000, -0.0001098500000000, -0.0001267900000000 ] - [ -0.0002423300000000, -0.0004785100000000, -0.0002951500000000 ] - [ 0.0000832200000000, -0.0000555900000000, -0.0000949300000000 ] - [ -0.0015515200000000, 0.0013887800000000, 0.0011725500000000 ] - [ -0.0001794700000000, 0.0007029800000000, 0.0000628800000000 ] - [ 0.0000501300000000, 0.0001142100000000, 0.0001161900000000 ] - [ -0.0000292700000000, 0.0000936100000000, -0.0000670700000000 ] - [ 0.0001277300000000, 0.0002327500000000, -0.0000307400000000 ] - [ 0.0001053400000000, -0.0000426600000000, -0.0001202600000000 ] - [ 0.0000270900000000, -0.0000050800000000, 0.0001041700000000 ] - [ -0.0156594200000000, -0.0226864300000000, -0.0049119000000000 ] - [ 0.0005830500000000, 0.0000123600000000, 0.0000149100000000 ] - [ 0.0005891900000000, -0.0008837300000000, 0.0002453300000000 ] - [ 0.0000094900000000, -0.0000227100000000, 0.0001134400000000 ] - [ 0.0002038000000000, -0.0001121800000000, -0.0001472700000000 ] - [ 0.0010063400000000, -0.0001127600000000, -0.0002407700000000 ] - [ -0.0004992300000000, 0.0000138100000000, -0.0000087100000000 ] - [ -0.0004790900000000, -0.0010660500000000, 0.0001979300000000 ] - [ -0.0004756000000000, -0.0000684100000000, 0.0000189000000000 ] - [ -0.0007879900000000, 0.0003784800000000, 0.0003309600000000 ] - [ -0.0005538800000000, 0.0004661600000000, -0.0000028900000000 ] - [ -0.0005500800000000, 0.0002928800000000, 0.0000002500000000 ] - [ 0.0005676100000000, 0.0003206300000000, 0.0000008900000000 ] - [ 0.0005470300000000, 0.0003207600000000, 0.0000151300000000 ] - [ 0.0004857400000000, 0.0000378500000000, -0.0000494500000000 ] - [ 0.0005661000000000, -0.0000773400000000, 0.0000042700000000 ] - [ -0.0001198600000000, 0.0005885700000000, 0.0002503300000000 ] - [ 0.0001272300000000, -0.0000034900000000, 0.0004267800000000 ] - [ 0.0001831800000000, 0.0000879500000000, -0.0003729200000000 ] - [ -0.0001045100000000, 0.0001355200000000, -0.0000250500000000 ] - [ -0.0000135300000000, 0.0002013300000000, 0.0007844400000000 ] - [ -0.0001197900000000, 0.0001008900000000, 0.0004786300000000 ] - [ -0.0001379000000000, 0.0000410500000000, -0.0004046400000000 ] - [ 0.0001436700000000, 0.0005163400000000, -0.0002191700000000 ] - [ -0.0001371700000000, 0.0001443900000000, -0.0005047900000000 ] - [ 0.0001068000000000, 0.0003372300000000, -0.0009258000000000 ] - [ 0.0039531400000000, -0.0013720500000000, -0.0022190800000000 ] - [ -0.0001056000000000, -0.0002333400000000, 0.0004942900000000 ] - [ 0.0002319700000000, -0.0002776800000000, -0.0005353200000000 ] - [ -0.0004963900000000, -0.0009165000000000, -0.0011258000000000 ] - [ -0.0000525400000000, 0.0001866300000000, 0.0002826500000000 ] - [ 0.0001339000000000, 0.0001310300000000, 0.0004325800000000 ] - [ 0.0003253400000000, 0.0000734000000000, -0.0007506900000000 ] - [ -0.0000167900000000, -0.0001966000000000, -0.0003308600000000 ] - [ 0.0000263700000000, 0.0003556900000000, 0.0002984100000000 ] - [ -0.0000052700000000, 0.0004745600000000, 0.0002801000000000 ] - [ -0.0000029000000000, 0.0006978300000000, -0.0003090600000000 ] - [ -0.0000145800000000, 0.0003608600000000, -0.0002986700000000 ] - [ 0.0001244800000000, -0.0001506000000000, 0.0002907200000000 ] - [ -0.0003804300000000, 0.0002885600000000, 0.0004250200000000 ] - [ 0.0000129400000000, 0.0001460900000000, 0.0002742800000000 ] - [ -0.0000576200000000, -0.0000705600000000, 0.0003371700000000 ] - [ -0.0003240500000000, -0.0003871700000000, 0.0003154800000000 ] - [ 0.0000536300000000, -0.0003080800000000, -0.0002432200000000 ] - [ -0.0001600600000000, -0.0003279600000000, 0.0002205300000000 ] - [ 0.0015943300000000, 0.0004706800000000, -0.0002359900000000 ] - [ -0.0012501700000000, -0.0026360200000000, -0.0016486100000000 ] - [ 0.0000472500000000, 0.0001412800000000, -0.0002883000000000 ] - [ 0.0002246300000000, -0.0001732100000000, 0.0000566700000000 ] - [ -0.0000808200000000, -0.0001942200000000, 0.0000776500000000 ] - [ 0.0000443700000000, 0.0002856300000000, -0.0000993900000000 ] - [ 0.0000732900000000, 0.0005637000000000, -0.0000350000000000 ] - [ -0.0001443900000000, 0.0007406900000000, 0.0000805300000000 ] - [ -0.0000085700000000, 0.0002916700000000, 0.0000974700000000 ] - [ 0.0005744700000000, -0.0000352600000000, 0.0000378400000000 ] - [ -0.0005303600000000, -0.0000750100000000, -0.0000818900000000 ] - [ 0.0001404000000000, 0.0000305200000000, -0.0002067500000000 ] - [ -0.0000985500000000, 0.0000183800000000, -0.0001683300000000 ] - [ -0.0001836000000000, -0.0002743200000000, 0.0004847400000000 ] - [ -0.0000068800000000, -0.0002304800000000, 0.0001101100000000 ] - [ 0.0000094900000000, -0.0002256600000000, -0.0001230200000000 ] - [ 0.0010285400000000, 0.0010763200000000, -0.0013988100000000 ] - [ -0.0007336500000000, -0.0001715500000000, 0.0000782500000000 ] - [ -0.0004158900000000, -0.0001312800000000, -0.0000171600000000 ] - [ -0.0002250100000000, -0.0001991300000000, 0.0000790300000000 ] - [ 0.0000232900000000, -0.0002673700000000, 0.0000866400000000 ] - [ -0.0000866300000000, -0.0003238400000000, -0.0001236700000000 ] - [ -0.0001421400000000, 0.0000375600000000, -0.0000785900000000 ] - [ 0.0001196000000000, -0.0000352900000000, 0.0000868300000000 ] - [ 0.0001173100000000, -0.0004673800000000, 0.0000936300000000 ] - [ -0.0002491400000000, -0.0012921400000000, -0.0006985200000000 ] - [ 0.0002223900000000, -0.0001853700000000, -0.0000885700000000 ] - [ 0.0002593900000000, 0.0010457100000000, 0.0002389900000000 ] - [ 0.0001104100000000, 0.0002518600000000, -0.0000642600000000 ] - [ 0.0001783200000000, -0.0000984000000000, 0.0000700400000000 ] - [ -0.0000367400000000, -0.0000583300000000, 0.0000330000000000 ] - [ 0.0006996700000000, -0.0007228200000000, 0.0010730900000000 ] - [ -0.0002688600000000, -0.0001270500000000, -0.0000631800000000 ] - [ -0.0002047600000000, 0.0003748400000000, 0.0000613200000000 ] - [ -0.0010257300000000, 0.0024182600000000, 0.0002940200000000 ] - [ -0.0009486000000000, -0.0006613800000000, 0.0001929600000000 ] - [ -0.0005819100000000, -0.0002732200000000, -0.0001136000000000 ] - [ 0.0000462000000000, -0.0003807600000000, -0.0000477300000000 ] - [ 0.0019312500000000, -0.0019024000000000, -0.0008694900000000 ] - [ 0.0007992400000000, -0.0021502900000000, -0.0000301000000000 ] - [ 0.0006201600000000, -0.0002817500000000, -0.0001251800000000 ] - [ 0.0012298100000000, 0.0000454600000000, -0.0007295500000000 ] - [ 0.0004869800000000, -0.0000982300000000, -0.0001707900000000 ] - [ -0.0002677600000000, -0.0000990500000000, 0.0003365700000000 ] - [ -0.0033350700000000, -0.0012124800000000, 0.0025279800000000 ] - [ 0.0004367200000000, 0.0007065500000000, 0.0002442800000000 ] - [ 0.0006494900000000, 0.0022526900000000, 0.0003341300000000 ] - [ 0.0146243000000000, 0.0183742600000000, 0.0034902000000000 ] - [ -0.0007673300000000, 0.0006601100000000, -0.0001873700000000 ] - [ -0.0006893900000000, -0.0003318500000000, 0.0001060500000000 ] - [ -0.0007760000000000, -0.0012765100000000, -0.0000714200000000 ] - [ -0.0005233600000000, -0.0003466400000000, 0.0001903700000000 ] - [ 0.0003239300000000, -0.0000510200000000, 0.0001145200000000 ] - [ 0.0000340900000000, -0.0005433100000000, 0.0000283100000000 ] - [ -0.0000213200000000, -0.0001483900000000, -0.0000028000000000 ] - [ -0.0000486000000000, 0.0003209600000000, -0.0000663500000000 ] - [ -0.0000050500000000, 0.0002695600000000, 0.0000312000000000 ] - [ 0.0005173100000000, -0.0009054200000000, 0.0012355800000000 ] - [ -0.0000633000000000, 0.0000655400000000, 0.0000131000000000 ] - [ 0.0000530300000000, -0.0002960600000000, 0.0000197300000000 ] - [ -0.0000803200000000, -0.0003029700000000, 0.0000500000000000 ] - [ 0.0001413800000000, 0.0007218500000000, -0.0005561600000000 ] - [ -0.0000404600000000, 0.0000522600000000, -0.0000021600000000 ] - [ 0.0005733500000000, -0.0003648700000000, -0.0002693700000000 ] - [ -0.0004129700000000, -0.0001434000000000, -0.0001678400000000 ] - [ -0.0003699200000000, -0.0011012500000000, -0.0014177700000000 ] - [ 0.0000073100000000, 0.0000728300000000, -0.0000217400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084888700000000, -0.0025820700000000, -0.0001593000000000 ] - [ -0.0000813400000000, -0.0002677100000000, -0.0000911600000000 ] - [ 0.0000556500000000, 0.0006463300000000, 0.0001566000000000 ] - [ -0.0004970400000000, 0.0011848600000000, 0.0009257300000000 ] - [ -0.0000104700000000, 0.0009011700000000, -0.0002055900000000 ] - [ -0.0000602100000000, 0.0005627900000000, -0.0001286300000000 ] - [ 0.0000367100000000, -0.0002064700000000, 0.0000409100000000 ] - [ -0.0003031200000000, 0.0002041600000000, -0.0002809600000000 ] - [ -0.0000784400000000, 0.0002315800000000, 0.0000483800000000 ] - [ 0.0000960000000000, -0.0000317200000000, -0.0000219300000000 ] - [ -0.0002510600000000, -0.0016004700000000, -0.0002199100000000 ] - [ -0.0000043700000000, -0.0006004700000000, -0.0001310100000000 ] - [ -0.0000463600000000, -0.0006410200000000, 0.0001684200000000 ] - [ 0.0003404400000000, -0.0012082400000000, 0.0003822300000000 ] - [ -0.0000070300000000, 0.0000973100000000, -0.0000274700000000 ] - [ 0.0000188800000000, 0.0003331300000000, -0.0000865900000000 ] - [ -0.0067221700000000, -0.0061739900000000, -0.0045779200000000 ] - [ 0.0000456000000000, 0.0000667100000000, 0.0001165700000000 ] - [ 0.0001108500000000, -0.0000638900000000, -0.0000750700000000 ] - [ -0.0003044300000000, -0.0006118900000000, -0.0000324400000000 ] - [ 0.0000829700000000, -0.0001964600000000, 0.0000264700000000 ] - [ -0.0000860500000000, -0.0000039200000000, 0.0000927600000000 ] - [ -0.0001019700000000, 0.0000195300000000, -0.0000878900000000 ] - [ 0.0001627900000000, 0.0003863900000000, 0.0000789400000000 ] - [ -0.0001647900000000, 0.0001442400000000, -0.0001184300000000 ] - [ 0.0014593100000000, -0.0012941200000000, -0.0013756700000000 ] - [ 0.0001029800000000, -0.0007898800000000, 0.0001517700000000 ] - [ -0.0001319700000000, -0.0002055900000000, 0.0000989400000000 ] - [ 0.0001099100000000, -0.0001842200000000, -0.0001478300000000 ] - [ -0.0000498800000000, -0.0003218100000000, -0.0001843400000000 ] - [ -0.0000225800000000, 0.0001285500000000, 0.0003355400000000 ] - [ 0.0000527500000000, 0.0000943300000000, 0.0001100700000000 ] - [ 0.0169660200000000, 0.0231635100000000, 0.0049651800000000 ] - [ 0.0005060800000000, 0.0001864500000000, -0.0000032500000000 ] - [ -0.0005345200000000, 0.0013169300000000, -0.0000341800000000 ] - [ 0.0000625500000000, 0.0004603100000000, 0.0001015700000000 ] - [ 0.0008840700000000, -0.0000855600000000, 0.0001357500000000 ] - [ 0.0000778900000000, -0.0000846200000000, 0.0002303800000000 ] - [ -0.0005935200000000, 0.0001860400000000, -0.0000031000000000 ] - [ -0.0006022200000000, 0.0012620600000000, -0.0001979100000000 ] - [ -0.0006175900000000, -0.0001326400000000, -0.0000302700000000 ] - [ -0.0002915900000000, -0.0005805500000000, -0.0003407300000000 ] - [ -0.0005334100000000, -0.0002684800000000, 0.0000144200000000 ] - [ -0.0005404200000000, -0.0000951900000000, 0.0000123900000000 ] - [ 0.0005225200000000, -0.0001220100000000, -0.0000132100000000 ] - [ 0.0005405900000000, -0.0001221600000000, -0.0000268700000000 ] - [ 0.0005968200000000, -0.0002419400000000, 0.0000607500000000 ] - [ 0.0005247900000000, -0.0001243600000000, 0.0000078100000000 ] - [ 0.0002881700000000, -0.0008157800000000, 0.0006511500000000 ] - [ 0.0000414400000000, -0.0002283900000000, 0.0004777600000000 ] - [ -0.0000159100000000, 0.0001417800000000, -0.0005300600000000 ] - [ 0.0002717800000000, 0.0000931500000000, -0.0008746200000000 ] - [ -0.0001524000000000, 0.0000270300000000, 0.0001167500000000 ] - [ -0.0000486400000000, 0.0001297500000000, 0.0004248600000000 ] - [ -0.0000320200000000, -0.0002731000000000, -0.0004992000000000 ] - [ -0.0003105600000000, -0.0007449500000000, -0.0006812200000000 ] - [ -0.0000335600000000, 0.0000856600000000, -0.0004000100000000 ] - [ -0.0002765800000000, -0.0001106200000000, 0.0000346500000000 ] - [ -0.0041230800000000, 0.0011057100000000, 0.0031352300000000 ] - [ -0.0000643300000000, 0.0000023000000000, 0.0004094700000000 ] - [ -0.0000652200000000, 0.0000462900000000, -0.0003666100000000 ] - [ 0.0006665900000000, 0.0006829200000000, 0.0002233200000000 ] - [ 0.0002229800000000, 0.0000424300000000, 0.0006100800000000 ] - [ 0.0000350800000000, 0.0000988000000000, 0.0004722400000000 ] - [ -0.0002875300000000, -0.0005676600000000, 0.0001597400000000 ] - [ 0.0000504400000000, -0.0002973300000000, -0.0002610000000000 ] - [ 0.0000054300000000, 0.0001361300000000, 0.0002931800000000 ] - [ 0.0000378100000000, 0.0000145000000000, 0.0002908000000000 ] - [ -0.0000283400000000, -0.0002104200000000, -0.0002626700000000 ] - [ -0.0000184200000000, 0.0001290700000000, -0.0002921800000000 ] - [ -0.0001597400000000, -0.0003415400000000, 0.0003010100000000 ] - [ 0.0003450800000000, -0.0007798700000000, 0.0001653800000000 ] - [ -0.0000477000000000, 0.0003465200000000, 0.0003163900000000 ] - [ 0.0000252000000000, 0.0005644100000000, 0.0002543300000000 ] - [ 0.0002854600000000, -0.0001056500000000, -0.0008960100000000 ] - [ -0.0000871100000000, -0.0001866100000000, -0.0003495900000000 ] - [ 0.0001911100000000, -0.0001639000000000, 0.0003720800000000 ] - [ -0.0015660400000000, -0.0009686600000000, 0.0008197200000000 ] - [ 0.0012582100000000, 0.0031464200000000, 0.0010121500000000 ] - [ -0.0000145200000000, 0.0003492800000000, -0.0003018600000000 ] - [ -0.0001521500000000, -0.0002668300000000, 0.0001572100000000 ] - [ 0.0001518900000000, -0.0002434100000000, 0.0001352100000000 ] - [ 0.0000274900000000, 0.0001516900000000, -0.0001143000000000 ] - [ 0.0000118700000000, -0.0001265700000000, -0.0001842700000000 ] - [ 0.0000612700000000, -0.0003041200000000, 0.0001391500000000 ] - [ -0.0000657900000000, 0.0001453100000000, 0.0001173600000000 ] - [ -0.0006462600000000, -0.0004027000000000, -0.0002511300000000 ] - [ 0.0004571200000000, -0.0003636600000000, -0.0001314000000000 ] - [ -0.0002148800000000, 0.0004077200000000, -0.0000065300000000 ] - [ 0.0000274500000000, 0.0004191800000000, -0.0000459900000000 ] - [ 0.0001087700000000, -0.0001600000000000, -0.0002602000000000 ] - [ -0.0000666100000000, -0.0002084000000000, 0.0001041600000000 ] - [ 0.0000614800000000, -0.0002126000000000, -0.0000908900000000 ] - [ -0.0009543200000000, -0.0015252100000000, 0.0011857300000000 ] - [ -0.0003515400000000, -0.0000262700000000, -0.0000663200000000 ] - [ -0.0006763400000000, -0.0000693700000000, 0.0000293400000000 ] - [ -0.0000161900000000, -0.0000910400000000, 0.0000611000000000 ] - [ -0.0002653500000000, -0.0000222000000000, 0.0000533200000000 ] - [ -0.0001518300000000, 0.0006121900000000, -0.0000150300000000 ] - [ -0.0000950100000000, 0.0002535000000000, -0.0000611600000000 ] - [ 0.0001187300000000, 0.0003276800000000, 0.0000540200000000 ] - [ 0.0001218100000000, 0.0007579700000000, 0.0000485300000000 ] - [ 0.0004917500000000, 0.0010002600000000, 0.0005580200000000 ] - [ 0.0000202800000000, -0.0001066800000000, -0.0000516900000000 ] - [ -0.0000183100000000, -0.0007557200000000, -0.0003900500000000 ] - [ 0.0001303400000000, 0.0000375700000000, -0.0000757100000000 ] - [ 0.0000604000000000, -0.0001950100000000, 0.0000686400000000 ] - [ 0.0002725800000000, -0.0002359400000000, 0.0001040600000000 ] - [ -0.0009424800000000, 0.0004199100000000, -0.0012119000000000 ] - [ 0.0000316500000000, -0.0001670500000000, -0.0000753000000000 ] - [ -0.0000316200000000, -0.0000839300000000, 0.0000794000000000 ] - [ 0.0008150800000000, -0.0021421000000000, -0.0001619600000000 ] - [ -0.0004390900000000, 0.0003039300000000, -0.0004893800000000 ] - [ -0.0007986100000000, -0.0000859900000000, -0.0001863600000000 ] - [ 0.0013377000000000, 0.0000231500000000, 0.0003493700000000 ] - [ -0.0005479700000000, 0.0015390200000000, 0.0011651400000000 ] - [ 0.0005738400000000, 0.0025118300000000, -0.0002675600000000 ] - [ 0.0007646300000000, 0.0006428400000000, -0.0001791800000000 ] - [ 0.0001449400000000, -0.0004209600000000, 0.0004225200000000 ] - [ 0.0008996000000000, -0.0002629500000000, -0.0001322000000000 ] - [ -0.0011104400000000, -0.0002655500000000, -0.0000318000000000 ] - [ 0.0019639200000000, 0.0008438200000000, -0.0022283600000000 ] - [ 0.0009509700000000, -0.0003496100000000, 0.0000573100000000 ] - [ 0.0007242700000000, -0.0018896900000000, -0.0000341400000000 ] - [ -0.0163969000000000, -0.0182296400000000, -0.0038893800000000 ] - [ -0.0006120600000000, -0.0003026600000000, -0.0001154100000000 ] - [ -0.0006928100000000, 0.0006919900000000, 0.0001968800000000 ] - [ -0.0006009700000000, 0.0016384000000000, 0.0003715900000000 ] - [ 0.0005226300000000, 0.0004459200000000, -0.0001906700000000 ] - [ -0.0003218000000000, 0.0001463900000000, -0.0001136900000000 ] - [ -0.0000329800000000, 0.0004355800000000, -0.0000273300000000 ] - [ 0.0000221100000000, 0.0000530600000000, 0.0000030900000000 ] - [ 0.0000526300000000, -0.0004153600000000, 0.0000713200000000 ] - [ 0.0000053600000000, -0.0003661300000000, -0.0000315500000000 ] - [ -0.0005213300000000, 0.0010421900000000, -0.0012521000000000 ] - [ 0.0000648500000000, 0.0000265400000000, -0.0000130400000000 ] - [ -0.0000369000000000, 0.0002071600000000, -0.0000192600000000 ] - [ 0.0000651800000000, 0.0002152700000000, -0.0000497300000000 ] - [ -0.0001465300000000, -0.0008102200000000, 0.0005624100000000 ] - [ 0.0000416200000000, -0.0001455000000000, 0.0000027000000000 ] - [ -0.0005674500000000, 0.0004523700000000, 0.0002680900000000 ] - [ 0.0004086300000000, 0.0002338700000000, 0.0001685500000000 ] - [ 0.0003659400000000, 0.0011624300000000, 0.0014037900000000 ] - [ -0.0000058200000000, 0.0000217000000000, 0.0000217900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006262900000000, -0.0005779900000000, -0.0036489600000000 ] - [ 0.0000607800000000, -0.0004760900000000, -0.0001901700000000 ] - [ 0.0001682800000000, 0.0004052000000000, 0.0000820200000000 ] - [ -0.0013177000000000, -0.0006160300000000, 0.0008111900000000 ] - [ -0.0000664900000000, 0.0001981900000000, 0.0006574900000000 ] - [ 0.0000047400000000, 0.0004275700000000, -0.0000392000000000 ] - [ -0.0000759000000000, -0.0004344900000000, 0.0001364700000000 ] - [ 0.0005281100000000, 0.0000122000000000, 0.0004030300000000 ] - [ 0.0000155600000000, 0.0005147700000000, 0.0001116100000000 ] - [ -0.0000837500000000, 0.0005530000000000, 0.0000771800000000 ] - [ -0.0001445400000000, -0.0004034400000000, -0.0004084700000000 ] - [ -0.0000064100000000, -0.0004634100000000, -0.0001526600000000 ] - [ 0.0000047400000000, -0.0004724800000000, 0.0001336300000000 ] - [ 0.0001979600000000, -0.0006900400000000, 0.0002500000000000 ] - [ 0.0000036000000000, 0.0004717200000000, 0.0000322000000000 ] - [ 0.0000477400000000, 0.0004326300000000, -0.0000647400000000 ] - [ 0.0032964900000000, 0.0051230900000000, -0.0006310400000000 ] - [ 0.0000500300000000, -0.0000502500000000, 0.0000549900000000 ] - [ 0.0000769900000000, -0.0000557600000000, -0.0001694700000000 ] - [ -0.0000860200000000, -0.0001284800000000, -0.0002671500000000 ] - [ -0.0001205500000000, 0.0000974000000000, 0.0002907800000000 ] - [ -0.0000078500000000, 0.0000444000000000, 0.0001528700000000 ] - [ -0.0000611900000000, -0.0000578000000000, -0.0000434000000000 ] - [ 0.0001505200000000, -0.0006208500000000, 0.0005453400000000 ] - [ 0.0000538500000000, 0.0000841500000000, -0.0001476400000000 ] - [ -0.0010114300000000, 0.0014845600000000, -0.0000732000000000 ] - [ -0.0000539900000000, -0.0002178400000000, -0.0000882800000000 ] - [ -0.0000288800000000, -0.0000662500000000, 0.0000507400000000 ] - [ 0.0000345800000000, -0.0000581600000000, -0.0000746100000000 ] - [ 0.0000983800000000, 0.0000410200000000, 0.0000053300000000 ] - [ -0.0000584300000000, -0.0002135200000000, 0.0007245800000000 ] - [ 0.0000941500000000, 0.0000287400000000, 0.0001610700000000 ] - [ -0.0270018100000000, -0.0048206200000000, -0.0261799500000000 ] - [ 0.0006135200000000, 0.0001085800000000, -0.0000371400000000 ] - [ 0.0009642800000000, 0.0003342800000000, -0.0007228300000000 ] - [ -0.0000589800000000, 0.0002265300000000, -0.0000699500000000 ] - [ 0.0009740500000000, -0.0003358300000000, -0.0000539300000000 ] - [ 0.0002385000000000, -0.0002427700000000, -0.0000530700000000 ] - [ -0.0005183600000000, 0.0001033900000000, 0.0000171400000000 ] - [ 0.0012554700000000, -0.0000953000000000, 0.0039415100000000 ] - [ -0.0004820400000000, -0.0000754900000000, -0.0000112900000000 ] - [ -0.0007234100000000, 0.0002357700000000, 0.0000132300000000 ] - [ -0.0005779500000000, 0.0000913500000000, -0.0000787600000000 ] - [ -0.0005100800000000, 0.0000999900000000, -0.0000611700000000 ] - [ 0.0004820100000000, 0.0000796800000000, 0.0000177000000000 ] - [ 0.0006639000000000, 0.0000997400000000, 0.0000140700000000 ] - [ 0.0005339300000000, -0.0000445700000000, 0.0002773900000000 ] - [ 0.0005898300000000, -0.0000982500000000, 0.0000455800000000 ] - [ -0.0000872600000000, 0.0000672200000000, 0.0002305400000000 ] - [ 0.0001236000000000, -0.0001023200000000, 0.0004119400000000 ] - [ 0.0001756300000000, 0.0001951500000000, -0.0004228900000000 ] - [ -0.0001022400000000, 0.0002644200000000, -0.0002085700000000 ] - [ -0.0000512700000000, 0.0003983900000000, 0.0009811400000000 ] - [ -0.0000851600000000, 0.0001496500000000, 0.0005339300000000 ] - [ -0.0000936400000000, -0.0001214500000000, -0.0004714900000000 ] - [ 0.0000554100000000, 0.0000380600000000, -0.0004520900000000 ] - [ -0.0000128700000000, 0.0000490600000000, -0.0003725700000000 ] - [ -0.0001916500000000, -0.0001570800000000, -0.0001131200000000 ] - [ -0.0061159200000000, -0.0027403700000000, 0.0003798000000000 ] - [ 0.0000106800000000, -0.0001028200000000, 0.0003152300000000 ] - [ -0.0000131600000000, -0.0000988400000000, -0.0005066900000000 ] - [ 0.0015456300000000, -0.0006771000000000, 0.0000352100000000 ] - [ 0.0001066000000000, -0.0000642000000000, 0.0009071000000000 ] - [ 0.0000992500000000, 0.0001229400000000, 0.0005169400000000 ] - [ -0.0001778600000000, -0.0003577800000000, 0.0000261700000000 ] - [ 0.0000471700000000, -0.0002392400000000, -0.0002706900000000 ] - [ 0.0000253900000000, 0.0002491800000000, 0.0003590800000000 ] - [ 0.0000329800000000, 0.0002596500000000, 0.0004955000000000 ] - [ -0.0000244400000000, 0.0003275200000000, -0.0003887700000000 ] - [ -0.0000147400000000, 0.0002572600000000, -0.0003320100000000 ] - [ 0.0000099100000000, -0.0002101100000000, 0.0001632000000000 ] - [ 0.0001032500000000, -0.0001106600000000, -0.0002565000000000 ] - [ 0.0000353400000000, 0.0002473100000000, 0.0005023600000000 ] - [ 0.0000735700000000, 0.0003367100000000, 0.0014288100000000 ] - [ -0.0003231000000000, 0.0000950000000000, 0.0003292900000000 ] - [ 0.0000713700000000, -0.0002084600000000, -0.0002338500000000 ] - [ 0.0000698500000000, -0.0002842000000000, 0.0001485000000000 ] - [ -0.0000720800000000, -0.0002190900000000, -0.0007814000000000 ] - [ 0.0064337700000000, -0.0012896000000000, 0.0057731200000000 ] - [ 0.0000170700000000, 0.0002537600000000, -0.0003432400000000 ] - [ -0.0000302100000000, -0.0002181600000000, 0.0002679900000000 ] - [ 0.0001428600000000, -0.0002521700000000, 0.0001865600000000 ] - [ 0.0000551600000000, 0.0002152400000000, -0.0000918100000000 ] - [ 0.0000049300000000, 0.0002488000000000, 0.0000274800000000 ] - [ -0.0000579700000000, 0.0002212400000000, -0.0000413600000000 ] - [ 0.0000044700000000, 0.0002124900000000, 0.0000787500000000 ] - [ 0.0002555000000000, -0.0000727400000000, -0.0001480100000000 ] - [ -0.0002817200000000, -0.0001046300000000, -0.0001960000000000 ] - [ -0.0003099900000000, 0.0002374000000000, 0.0001496200000000 ] - [ 0.0003843900000000, 0.0001975900000000, 0.0002063500000000 ] - [ -0.0002557600000000, -0.0001475500000000, 0.0005491600000000 ] - [ 0.0000132500000000, -0.0002177300000000, 0.0001331400000000 ] - [ 0.0001107600000000, -0.0002448500000000, -0.0001390400000000 ] - [ -0.0005149100000000, -0.0012223600000000, -0.0002780600000000 ] - [ -0.0006078600000000, -0.0001727900000000, 0.0002426200000000 ] - [ -0.0004871300000000, -0.0000779000000000, 0.0001229000000000 ] - [ -0.0001325800000000, -0.0001686000000000, -0.0000101200000000 ] - [ -0.0001320900000000, -0.0000805000000000, -0.0002500300000000 ] - [ -0.0000179700000000, 0.0001438000000000, -0.0001502700000000 ] - [ -0.0001767000000000, 0.0001515200000000, -0.0000917300000000 ] - [ 0.0001108100000000, 0.0001497500000000, 0.0001237200000000 ] - [ 0.0000976800000000, 0.0001380400000000, 0.0002555000000000 ] - [ -0.0000366300000000, -0.0008722400000000, -0.0002452600000000 ] - [ 0.0001398800000000, -0.0001616700000000, -0.0000520500000000 ] - [ 0.0010262300000000, 0.0001386100000000, -0.0014865900000000 ] - [ -0.0000502300000000, 0.0001381900000000, -0.0000955400000000 ] - [ 0.0000980900000000, -0.0001270100000000, -0.0000170200000000 ] - [ 0.0000851400000000, -0.0002986300000000, -0.0003805300000000 ] - [ -0.0006214300000000, 0.0012601300000000, 0.0000932700000000 ] - [ -0.0000907600000000, -0.0001297500000000, -0.0000417600000000 ] - [ -0.0002797200000000, 0.0001386100000000, 0.0002318800000000 ] - [ -0.0018631800000000, 0.0003371100000000, 0.0024754300000000 ] - [ -0.0004961300000000, -0.0001866000000000, -0.0013200300000000 ] - [ -0.0008498500000000, -0.0001672100000000, -0.0003650300000000 ] - [ 0.0003366100000000, -0.0003884300000000, 0.0002546700000000 ] - [ 0.0013141400000000, -0.0013695600000000, 0.0004217200000000 ] - [ 0.0008523200000000, 0.0001420600000000, 0.0004332400000000 ] - [ 0.0006001500000000, 0.0001973500000000, 0.0000057300000000 ] - [ 0.0010562100000000, -0.0000811800000000, -0.0018191900000000 ] - [ 0.0005250300000000, -0.0002106200000000, -0.0003674000000000 ] - [ -0.0011628500000000, 0.0000788200000000, 0.0003137200000000 ] - [ 0.0009832200000000, 0.0016611400000000, 0.0007504900000000 ] - [ 0.0009530600000000, 0.0001236100000000, -0.0001156100000000 ] - [ -0.0024786800000000, 0.0004879900000000, -0.0028518500000000 ] - [ 0.0250084800000000, 0.0038240200000000, 0.0205556200000000 ] - [ -0.0007761000000000, 0.0001600100000000, 0.0001609400000000 ] - [ -0.0006486700000000, 0.0002144100000000, 0.0000748800000000 ] - [ -0.0008860500000000, 0.0001944200000000, -0.0002195000000000 ] - [ 0.0001977700000000, 0.0002562300000000, 0.0002113200000000 ] - [ -0.0002001700000000, 0.0002128500000000, 0.0001402800000000 ] - [ 0.0000220200000000, -0.0000134400000000, -0.0001422700000000 ] - [ -0.0000364900000000, -0.0000397100000000, -0.0000283100000000 ] - [ -0.0006430400000000, -0.0002011600000000, -0.0006500300000000 ] - [ 0.0001882300000000, -0.0000734300000000, -0.0002963200000000 ] - [ 0.0000004100000000, 0.0014381400000000, 0.0006043300000000 ] - [ -0.0000296200000000, 0.0000468600000000, 0.0000403000000000 ] - [ -0.0000157600000000, 0.0000143200000000, -0.0000748600000000 ] - [ 0.0000367000000000, -0.0000070700000000, -0.0000874400000000 ] - [ 0.0005113000000000, -0.0007465300000000, -0.0019911400000000 ] - [ -0.0000919800000000, -0.0000615400000000, -0.0000495000000000 ] - [ 0.0001625100000000, 0.0000046000000000, 0.0001367300000000 ] - [ -0.0001957900000000, -0.0000562000000000, 0.0001466200000000 ] - [ -0.0000261700000000, -0.0011746000000000, 0.0005287300000000 ] - [ -0.0000440600000000, 0.0000509700000000, 0.0000458800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006624900000000, -0.0002620900000000, 0.0034524800000000 ] - [ -0.0000104900000000, -0.0004300100000000, -0.0000314600000000 ] - [ -0.0001181100000000, 0.0005001400000000, 0.0001382400000000 ] - [ 0.0013589900000000, 0.0015112000000000, -0.0005877300000000 ] - [ 0.0000166400000000, 0.0007020400000000, -0.0008763700000000 ] - [ -0.0000566400000000, 0.0004765000000000, -0.0001824400000000 ] - [ 0.0000233600000000, -0.0004715800000000, 0.0000865000000000 ] - [ -0.0006133500000000, -0.0008987400000000, -0.0002011000000000 ] - [ -0.0000669200000000, 0.0003903800000000, 0.0001095900000000 ] - [ 0.0000333100000000, 0.0003533400000000, 0.0001439400000000 ] - [ 0.0000943900000000, -0.0005041200000000, 0.0001890000000000 ] - [ -0.0000617100000000, -0.0004377100000000, -0.0000609700000000 ] - [ 0.0000463500000000, -0.0004343000000000, 0.0000878300000000 ] - [ -0.0001302600000000, -0.0002100200000000, -0.0000373400000000 ] - [ 0.0000478700000000, 0.0004334000000000, -0.0002549200000000 ] - [ 0.0000033400000000, 0.0004714800000000, -0.0001565800000000 ] - [ -0.0032073200000000, -0.0052160400000000, 0.0008065200000000 ] - [ 0.0000288500000000, -0.0000436400000000, 0.0001588300000000 ] - [ 0.0000040100000000, 0.0001477300000000, -0.0000427100000000 ] - [ 0.0001700800000000, 0.0002230500000000, 0.0000527600000000 ] - [ 0.0000371700000000, -0.0000022700000000, -0.0000762200000000 ] - [ -0.0000736700000000, 0.0000462200000000, 0.0000592100000000 ] - [ -0.0000204400000000, -0.0000344300000000, -0.0001698000000000 ] - [ -0.0002336400000000, 0.0005327700000000, -0.0007614400000000 ] - [ -0.0001353700000000, 0.0000057800000000, -0.0000660700000000 ] - [ 0.0009279600000000, -0.0013889100000000, -0.0001422900000000 ] - [ -0.0000264700000000, 0.0001266600000000, 0.0002990600000000 ] - [ -0.0000532700000000, -0.0000261600000000, 0.0001624700000000 ] - [ 0.0000475200000000, -0.0000336600000000, -0.0001392500000000 ] - [ -0.0000185300000000, -0.0001345300000000, -0.0002181800000000 ] - [ 0.0001436700000000, 0.0003079000000000, -0.0005114100000000 ] - [ -0.0000147400000000, 0.0000639800000000, 0.0000509900000000 ] - [ 0.0281467800000000, 0.0050510500000000, 0.0265753800000000 ] - [ 0.0004805500000000, 0.0000910700000000, 0.0000505100000000 ] - [ -0.0009094500000000, 0.0001027400000000, 0.0009276000000000 ] - [ 0.0001264000000000, 0.0002091500000000, 0.0002834400000000 ] - [ 0.0001185400000000, 0.0001344400000000, 0.0000393600000000 ] - [ 0.0008557000000000, 0.0000394200000000, 0.0000410500000000 ] - [ -0.0005787600000000, 0.0000974600000000, -0.0000311300000000 ] - [ -0.0023806300000000, 0.0003120800000000, -0.0040365900000000 ] - [ -0.0006126000000000, -0.0001251000000000, -0.0000019700000000 ] - [ -0.0003696400000000, -0.0004360100000000, -0.0000271100000000 ] - [ -0.0005172900000000, 0.0001097600000000, 0.0000934700000000 ] - [ -0.0005835300000000, 0.0001056300000000, 0.0000781600000000 ] - [ 0.0006132000000000, 0.0001209900000000, -0.0000315500000000 ] - [ 0.0004282800000000, 0.0001075700000000, -0.0000327000000000 ] - [ 0.0005640400000000, -0.0001558700000000, -0.0002648000000000 ] - [ 0.0005046500000000, -0.0001029400000000, -0.0000318800000000 ] - [ 0.0002784200000000, -0.0003287300000000, 0.0006872200000000 ] - [ 0.0000449000000000, -0.0001328000000000, 0.0004960600000000 ] - [ -0.0000060200000000, 0.0000375800000000, -0.0004840900000000 ] - [ 0.0002714200000000, -0.0000311200000000, -0.0006993800000000 ] - [ -0.0001174200000000, -0.0001648600000000, -0.0000756000000000 ] - [ -0.0000849200000000, 0.0000841600000000, 0.0003729400000000 ] - [ -0.0000756500000000, -0.0001128800000000, -0.0004360900000000 ] - [ -0.0002451600000000, -0.0003010600000000, -0.0004636700000000 ] - [ -0.0001576300000000, 0.0001821300000000, -0.0005343800000000 ] - [ 0.0000183600000000, 0.0003862800000000, -0.0007959600000000 ] - [ 0.0059917300000000, 0.0025211600000000, 0.0005555200000000 ] - [ -0.0001899500000000, -0.0001449800000000, 0.0005925600000000 ] - [ 0.0001807900000000, -0.0001340600000000, -0.0003989400000000 ] - [ -0.0013758400000000, 0.0004320200000000, -0.0009411900000000 ] - [ 0.0000675600000000, 0.0002943000000000, 0.0000005500000000 ] - [ 0.0000702600000000, 0.0001081800000000, 0.0003890000000000 ] - [ 0.0002118700000000, -0.0001354400000000, -0.0006174000000000 ] - [ -0.0000353400000000, -0.0002427900000000, -0.0003300900000000 ] - [ 0.0000059500000000, 0.0002437700000000, 0.0002315800000000 ] - [ -0.0000017800000000, 0.0002346600000000, 0.0000953900000000 ] - [ -0.0000070500000000, 0.0001654700000000, -0.0002038800000000 ] - [ -0.0000168900000000, 0.0002333200000000, -0.0002589700000000 ] - [ -0.0000427800000000, -0.0002808600000000, 0.0004262600000000 ] - [ -0.0001160100000000, -0.0003694200000000, 0.0008569000000000 ] - [ -0.0000678900000000, 0.0002442200000000, 0.0000891900000000 ] - [ -0.0001072300000000, 0.0001524500000000, -0.0008400700000000 ] - [ 0.0003290500000000, -0.0005776500000000, -0.0009536200000000 ] - [ -0.0001023700000000, -0.0002859100000000, -0.0003566900000000 ] - [ -0.0000416000000000, -0.0002068400000000, 0.0004397500000000 ] - [ 0.0000723800000000, -0.0002588900000000, 0.0014049000000000 ] - [ -0.0062906700000000, 0.0017574300000000, -0.0062898900000000 ] - [ 0.0000143900000000, 0.0002357700000000, -0.0002480500000000 ] - [ 0.0001000800000000, -0.0002206700000000, -0.0000562100000000 ] - [ -0.0000735600000000, -0.0001844700000000, 0.0000080400000000 ] - [ 0.0000161100000000, 0.0002220400000000, -0.0001214700000000 ] - [ 0.0000652100000000, 0.0001882400000000, -0.0002402800000000 ] - [ -0.0000091600000000, 0.0002154600000000, 0.0002535500000000 ] - [ -0.0000772100000000, 0.0002243700000000, 0.0001347100000000 ] - [ -0.0003281600000000, -0.0003666700000000, -0.0000657700000000 ] - [ 0.0002106100000000, -0.0003321800000000, 0.0000007900000000 ] - [ 0.0002405300000000, 0.0002008800000000, -0.0003605700000000 ] - [ -0.0004566300000000, 0.0002405500000000, -0.0004207600000000 ] - [ 0.0001991200000000, -0.0002887400000000, -0.0003731500000000 ] - [ -0.0000861100000000, -0.0002213600000000, 0.0000782100000000 ] - [ -0.0000398600000000, -0.0001937000000000, -0.0000732800000000 ] - [ 0.0005765800000000, 0.0007846600000000, 0.0000980100000000 ] - [ -0.0004867100000000, -0.0000307900000000, -0.0002307700000000 ] - [ -0.0006083400000000, -0.0001253000000000, -0.0001100300000000 ] - [ -0.0001084700000000, -0.0001240200000000, 0.0001501600000000 ] - [ -0.0001083700000000, -0.0002152700000000, 0.0003921000000000 ] - [ -0.0002275600000000, 0.0001567700000000, 0.0000169600000000 ] - [ -0.0000619600000000, 0.0001406900000000, -0.0000461700000000 ] - [ 0.0001292100000000, 0.0001431400000000, 0.0000148700000000 ] - [ 0.0001469300000000, 0.0001644900000000, -0.0001237500000000 ] - [ 0.0002777500000000, 0.0005833300000000, 0.0001080500000000 ] - [ 0.0001022100000000, -0.0001342700000000, -0.0000902300000000 ] - [ -0.0008026600000000, 0.0001396900000000, 0.0013504300000000 ] - [ 0.0002935500000000, 0.0001546700000000, -0.0000441600000000 ] - [ 0.0001413700000000, -0.0001651900000000, 0.0001565300000000 ] - [ 0.0001622300000000, 0.0000072000000000, 0.0005344200000000 ] - [ 0.0003709900000000, -0.0015551900000000, -0.0002381600000000 ] - [ -0.0001478700000000, -0.0001633200000000, -0.0000987800000000 ] - [ 0.0000424100000000, 0.0001537900000000, -0.0000913100000000 ] - [ 0.0016387900000000, -0.0000549600000000, -0.0023692700000000 ] - [ -0.0008890900000000, -0.0001777100000000, 0.0010197500000000 ] - [ -0.0005274600000000, -0.0002008900000000, 0.0000605900000000 ] - [ 0.0010451100000000, 0.0000276500000000, 0.0000497400000000 ] - [ 0.0000645500000000, 0.0010019400000000, -0.0001161300000000 ] - [ 0.0005221400000000, 0.0002225300000000, -0.0007517200000000 ] - [ 0.0007827300000000, 0.0001699100000000, -0.0003129000000000 ] - [ 0.0003102400000000, -0.0002742600000000, 0.0015248400000000 ] - [ 0.0008561500000000, -0.0001477100000000, 0.0000651400000000 ] - [ -0.0002118500000000, -0.0004405100000000, -0.0000078200000000 ] - [ -0.0023554800000000, -0.0020137400000000, -0.0004500400000000 ] - [ 0.0004297800000000, 0.0002352900000000, 0.0004146500000000 ] - [ 0.0038814600000000, -0.0001305700000000, 0.0031598000000000 ] - [ -0.0265070600000000, -0.0034859400000000, -0.0211557800000000 ] - [ -0.0005962700000000, 0.0002055400000000, -0.0004646200000000 ] - [ -0.0007326200000000, 0.0001471000000000, 0.0002311900000000 ] - [ -0.0004891100000000, 0.0001761600000000, 0.0005366600000000 ] - [ -0.0001966600000000, -0.0001618700000000, -0.0002133800000000 ] - [ 0.0002009700000000, -0.0001204300000000, -0.0001402800000000 ] - [ -0.0000225600000000, -0.0000771300000000, 0.0001426900000000 ] - [ 0.0000366700000000, -0.0000552800000000, 0.0000283300000000 ] - [ 0.0006409700000000, 0.0001097300000000, 0.0006504100000000 ] - [ -0.0001861300000000, -0.0000181600000000, 0.0002971500000000 ] - [ -0.0000087900000000, -0.0013418400000000, -0.0006159100000000 ] - [ 0.0000341300000000, 0.0000426000000000, -0.0000404700000000 ] - [ 0.0000149600000000, -0.0001074600000000, 0.0000758400000000 ] - [ -0.0000352800000000, -0.0000855100000000, 0.0000869800000000 ] - [ -0.0005125000000000, 0.0006461500000000, 0.0019856400000000 ] - [ 0.0000927900000000, -0.0000315800000000, 0.0000495200000000 ] - [ -0.0001744900000000, 0.0000854500000000, -0.0001413500000000 ] - [ 0.0002106500000000, 0.0001512300000000, -0.0001467900000000 ] - [ 0.0000191000000000, 0.0012378100000000, -0.0005401100000000 ] - [ 0.0000457100000000, 0.0000372400000000, -0.0000465600000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009173900000000, 0.0079985800000000, 0.0030147400000000 ] - [ 0.0005578700000000, -0.0007070600000000, -0.0001681700000000 ] - [ 0.0013731400000000, -0.0017840100000000, 0.0017771500000000 ] - [ 0.0006826700000000, 0.0007419200000000, -0.0000102400000000 ] - [ -0.0006625700000000, 0.0005793400000000, -0.0003509200000000 ] - [ 0.0003414200000000, 0.0003043400000000, -0.0000550000000000 ] - [ -0.0002399500000000, -0.0010477100000000, -0.0002608100000000 ] - [ 0.0003481000000000, -0.0002955200000000, 0.0001742800000000 ] - [ -0.0001690900000000, 0.0009460700000000, 0.0002594100000000 ] - [ 0.0002400500000000, 0.0002165000000000, 0.0000382500000000 ] - [ -0.0005105900000000, -0.0011369000000000, -0.0000488200000000 ] - [ 0.0003087100000000, -0.0002908700000000, -0.0001141300000000 ] - [ -0.0001416400000000, -0.0002344600000000, 0.0000365700000000 ] - [ 0.0002924000000000, -0.0007069900000000, 0.0002348000000000 ] - [ -0.0002602600000000, 0.0003162900000000, -0.0000778700000000 ] - [ 0.0002709900000000, 0.0005435000000000, -0.0001069500000000 ] - [ 0.0068237100000000, -0.0090461800000000, -0.0014460500000000 ] - [ 0.0006145200000000, 0.0000497900000000, 0.0001223600000000 ] - [ -0.0002444000000000, -0.0007130400000000, -0.0000890700000000 ] - [ 0.0003572000000000, 0.0002777100000000, -0.0001066900000000 ] - [ -0.0003396300000000, 0.0002229000000000, 0.0001390000000000 ] - [ 0.0001919600000000, -0.0000392200000000, 0.0001198200000000 ] - [ -0.0000359000000000, 0.0003461600000000, -0.0005217400000000 ] - [ 0.0002792200000000, -0.0001132500000000, -0.0000195700000000 ] - [ 0.0022696200000000, 0.0038585500000000, 0.0013704800000000 ] - [ 0.0007100900000000, -0.0004180300000000, -0.0003055200000000 ] - [ -0.0004305600000000, 0.0004532300000000, 0.0000552900000000 ] - [ 0.0002524700000000, -0.0000826300000000, 0.0000908100000000 ] - [ -0.0001360300000000, -0.0001071600000000, -0.0000496300000000 ] - [ 0.0002213000000000, -0.0000016100000000, -0.0000846500000000 ] - [ -0.0003640900000000, -0.0003277600000000, 0.0004377500000000 ] - [ 0.0003805000000000, 0.0001892700000000, 0.0001085100000000 ] - [ 0.0034416200000000, 0.0006633400000000, 0.0009431400000000 ] - [ 0.0023829000000000, 0.0000744800000000, -0.0000885800000000 ] - [ -0.1641218500000000, -0.0157144600000000, -0.0256917900000000 ] - [ 0.0008957900000000, 0.0002484200000000, 0.0001897000000000 ] - [ -0.0011276300000000, -0.0010928700000000, 0.0005421600000000 ] - [ 0.0012028900000000, -0.0000749200000000, -0.0000812100000000 ] - [ 0.0000478100000000, -0.0000763800000000, -0.0002818100000000 ] - [ 0.0001140900000000, 0.0001647800000000, 0.0004151600000000 ] - [ 0.0001404100000000, 0.0005117600000000, 0.0002873800000000 ] - [ -0.0000003000000000, -0.0005940400000000, -0.0002507900000000 ] - [ -0.0013080500000000, 0.0002109400000000, 0.0000278700000000 ] - [ -0.0000715200000000, 0.0000729100000000, -0.0000347400000000 ] - [ 0.0001304300000000, 0.0001386100000000, 0.0000253500000000 ] - [ 0.0009411600000000, 0.0001105600000000, -0.0000249600000000 ] - [ 0.0003602900000000, -0.0002896900000000, -0.0000596000000000 ] - [ 0.0008670000000000, 0.0000152100000000, 0.0001137000000000 ] - [ -0.0001930800000000, -0.0000450700000000, 0.0005104300000000 ] - [ 0.0003295000000000, -0.0001421400000000, 0.0004307500000000 ] - [ -0.0000525600000000, 0.0005688000000000, 0.0003109600000000 ] - [ 0.0004745900000000, -0.0000045600000000, -0.0006061900000000 ] - [ -0.0007204500000000, 0.0000068400000000, 0.0001555700000000 ] - [ 0.0002835800000000, 0.0001875200000000, 0.0005059000000000 ] - [ -0.0002683500000000, -0.0001180300000000, -0.0005676400000000 ] - [ 0.0001271000000000, -0.0000358600000000, -0.0003655100000000 ] - [ -0.0001736600000000, -0.0004677100000000, 0.0000577600000000 ] - [ 0.0001766100000000, 0.0003120500000000, -0.0006519100000000 ] - [ 0.0010276800000000, -0.0026571800000000, 0.0096601300000000 ] - [ 0.0004483100000000, -0.0000162200000000, 0.0002446400000000 ] - [ 0.0009671200000000, 0.0000696800000000, -0.0041806200000000 ] - [ 0.0005870800000000, -0.0001311600000000, -0.0002797200000000 ] - [ -0.0002998900000000, 0.0003975500000000, 0.0001344200000000 ] - [ 0.0003827400000000, 0.0000625200000000, 0.0005455600000000 ] - [ -0.0004183500000000, -0.0004267600000000, -0.0001466600000000 ] - [ 0.0003283700000000, -0.0001459500000000, -0.0003558500000000 ] - [ -0.0001188000000000, 0.0003328500000000, 0.0003583600000000 ] - [ 0.0001777300000000, 0.0002020000000000, 0.0003334000000000 ] - [ -0.0003841600000000, 0.0001902100000000, -0.0004739500000000 ] - [ 0.0002668000000000, 0.0002909200000000, -0.0002625700000000 ] - [ -0.0001061900000000, 0.0005239100000000, -0.0001705600000000 ] - [ 0.0003755100000000, -0.0004863300000000, 0.0002889000000000 ] - [ -0.0001256700000000, 0.0001959400000000, 0.0004676100000000 ] - [ 0.0003658500000000, 0.0003571600000000, 0.0002586500000000 ] - [ -0.0004281400000000, 0.0000946000000000, 0.0001959100000000 ] - [ 0.0003154500000000, -0.0003089600000000, -0.0003386600000000 ] - [ 0.0008307700000000, -0.0032862400000000, 0.0002616500000000 ] - [ 0.0005227000000000, -0.0000531700000000, 0.0003241300000000 ] - [ 0.0067737800000000, 0.0053463000000000, -0.0095817500000000 ] - [ 0.0006044700000000, 0.0001913300000000, -0.0001759300000000 ] - [ -0.0007498700000000, -0.0001560300000000, 0.0000614300000000 ] - [ 0.0005564100000000, -0.0002424600000000, 0.0001672900000000 ] - [ 0.0000680600000000, 0.0002271200000000, -0.0001059800000000 ] - [ 0.0000684300000000, 0.0002296700000000, -0.0000692800000000 ] - [ -0.0001380900000000, 0.0002301800000000, 0.0000832900000000 ] - [ 0.0002849400000000, 0.0002068200000000, 0.0000475100000000 ] - [ -0.0014991600000000, 0.0010728000000000, 0.0000505900000000 ] - [ 0.0006576300000000, -0.0002542600000000, -0.0000484100000000 ] - [ -0.0013480700000000, 0.0002295500000000, -0.0001584900000000 ] - [ 0.0006013000000000, 0.0001962100000000, -0.0000215100000000 ] - [ -0.0001461200000000, -0.0001052900000000, 0.0002006100000000 ] - [ 0.0002649300000000, -0.0002955600000000, 0.0000645100000000 ] - [ 0.0008326800000000, -0.0007510200000000, -0.0000860600000000 ] - [ 0.0008345600000000, 0.0002659100000000, -0.0002817900000000 ] - [ -0.0014534600000000, -0.0002516900000000, 0.0002288700000000 ] - [ -0.0000322800000000, -0.0000709500000000, -0.0000435400000000 ] - [ 0.0000867900000000, -0.0004255200000000, -0.0001224200000000 ] - [ -0.0004252500000000, 0.0000075100000000, 0.0001068800000000 ] - [ 0.0001815600000000, 0.0001395900000000, -0.0001138100000000 ] - [ -0.0003897900000000, 0.0001298200000000, -0.0000774100000000 ] - [ 0.0003180600000000, 0.0000417900000000, 0.0002347000000000 ] - [ -0.0001409900000000, 0.0001899000000000, 0.0000361400000000 ] - [ 0.0014826300000000, 0.0013295100000000, 0.0007080700000000 ] - [ -0.0004784800000000, -0.0002663300000000, -0.0000647400000000 ] - [ 0.0007603500000000, -0.0002441000000000, -0.0014903000000000 ] - [ -0.0004306200000000, 0.0001603800000000, 0.0000401200000000 ] - [ 0.0003367400000000, 0.0001082800000000, -0.0000701600000000 ] - [ -0.0001802300000000, -0.0002721600000000, 0.0000624100000000 ] - [ 0.0009949900000000, -0.0020121400000000, 0.0007353100000000 ] - [ -0.0007406700000000, -0.0000207700000000, -0.0001627900000000 ] - [ 0.0079042700000000, -0.0008116100000000, -0.0012407700000000 ] - [ -0.0012886600000000, 0.0001255200000000, 0.0000934000000000 ] - [ 0.0008421700000000, 0.0004028000000000, -0.0002221500000000 ] - [ -0.0018901000000000, -0.0004518400000000, -0.0002568700000000 ] - [ 0.0008469000000000, -0.0050262200000000, -0.0013114400000000 ] - [ -0.0011007100000000, 0.0007371200000000, 0.0004093000000000 ] - [ 0.0019658300000000, 0.0002070600000000, -0.0000641300000000 ] - [ -0.0004171000000000, 0.0001151400000000, -0.0000674700000000 ] - [ 0.0022293500000000, -0.0007610200000000, -0.0002778300000000 ] - [ -0.0004803500000000, 0.0000481200000000, -0.0001593900000000 ] - [ -0.0009045900000000, 0.0049914400000000, -0.0018081200000000 ] - [ -0.0026083700000000, -0.0009972800000000, 0.0005329300000000 ] - [ 0.0011819100000000, 0.0009556700000000, 0.0028857600000000 ] - [ -0.0009726600000000, 0.0000897600000000, -0.0002798300000000 ] - [ 0.1298850300000000, 0.0147471000000000, 0.0262939900000000 ] - [ -0.0035032900000000, 0.0001744200000000, -0.0002354100000000 ] - [ -0.0001302400000000, 0.0000112500000000, 0.0001774900000000 ] - [ -0.0013527500000000, 0.0002757800000000, -0.0000184100000000 ] - [ 0.0015907300000000, -0.0004124400000000, 0.0006245500000000 ] - [ -0.0006117000000000, 0.0000703300000000, -0.0000468700000000 ] - [ 0.0000612400000000, -0.0000392000000000, 0.0001025500000000 ] - [ -0.0001968000000000, -0.0000630600000000, -0.0001335300000000 ] - [ 0.0025429500000000, 0.0001894500000000, -0.0018189100000000 ] - [ -0.0007086500000000, -0.0000470600000000, -0.0000280200000000 ] - [ -0.0007872900000000, 0.0011066200000000, -0.0008694800000000 ] - [ -0.0006299700000000, -0.0004926200000000, 0.0004050400000000 ] - [ 0.0005887900000000, 0.0000228000000000, -0.0001264100000000 ] - [ -0.0004186000000000, -0.0000641600000000, 0.0000381100000000 ] - [ -0.0006762800000000, 0.0004492600000000, 0.0012523700000000 ] - [ -0.0007974900000000, -0.0001742300000000, -0.0006358300000000 ] - [ 0.0013625500000000, 0.0000829700000000, 0.0000223400000000 ] - [ -0.0005542200000000, 0.0000161500000000, -0.0000062800000000 ] - [ -0.0005631000000000, -0.0007222800000000, -0.0005953600000000 ] - [ -0.0004558400000000, 0.0004822500000000, 0.0003721300000000 ]- atom: 35 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008312000000000, -0.0090011200000000, -0.0032652400000000 ] - [ -0.0005070200000000, -0.0002016100000000, -0.0000531200000000 ] - [ -0.0013020300000000, 0.0026656100000000, -0.0015455900000000 ] - [ -0.0006333600000000, 0.0001656100000000, 0.0002299400000000 ] - [ 0.0006003300000000, 0.0003239400000000, 0.0001380600000000 ] - [ -0.0003899500000000, 0.0006020600000000, -0.0001644900000000 ] - [ 0.0001869800000000, 0.0001407900000000, 0.0004801200000000 ] - [ -0.0003959000000000, -0.0006096100000000, 0.0000468000000000 ] - [ 0.0001164100000000, -0.0000388300000000, -0.0000389700000000 ] - [ -0.0002885500000000, 0.0006902100000000, 0.0001826200000000 ] - [ 0.0004619300000000, 0.0002316500000000, -0.0001716000000000 ] - [ -0.0003576500000000, -0.0006144700000000, -0.0001056400000000 ] - [ 0.0001892100000000, -0.0006711200000000, 0.0001838100000000 ] - [ -0.0002416000000000, -0.0001998800000000, -0.0000145600000000 ] - [ 0.0003094000000000, 0.0005901400000000, -0.0001427900000000 ] - [ -0.0002210400000000, 0.0003630400000000, -0.0001133500000000 ] - [ -0.0068404700000000, 0.0091267900000000, 0.0016939100000000 ] - [ -0.0005327800000000, -0.0001396500000000, 0.0000913800000000 ] - [ 0.0003208200000000, 0.0008043700000000, -0.0001230300000000 ] - [ -0.0002761000000000, -0.0001851300000000, -0.0001066200000000 ] - [ 0.0002598800000000, -0.0001301200000000, 0.0000753200000000 ] - [ -0.0002724100000000, 0.0001307400000000, 0.0000945900000000 ] - [ -0.0000452300000000, -0.0004373500000000, 0.0003069900000000 ] - [ -0.0003578800000000, 0.0000214900000000, -0.0001940100000000 ] - [ -0.0023224400000000, -0.0037250000000000, -0.0015706900000000 ] - [ -0.0007894200000000, 0.0005087900000000, 0.0000916200000000 ] - [ 0.0003504800000000, -0.0005424500000000, 0.0001586100000000 ] - [ -0.0003323200000000, -0.0000084200000000, 0.0001228100000000 ] - [ 0.0002144100000000, 0.0000174200000000, -0.0001645500000000 ] - [ -0.0001403000000000, -0.0000886700000000, -0.0001295700000000 ] - [ 0.0004420000000000, 0.0004187700000000, -0.0002214800000000 ] - [ -0.0003003400000000, -0.0000972400000000, 0.0001062400000000 ] - [ -0.0023199500000000, -0.0004630000000000, -0.0009281400000000 ] - [ -0.0012785900000000, 0.0001243000000000, 0.0000990900000000 ] - [ 0.1711988700000000, 0.0173805700000000, 0.0280659000000000 ] - [ -0.0008226300000000, 0.0001893900000000, 0.0000274700000000 ] - [ 0.0022000600000000, 0.0008980300000000, -0.0005597300000000 ] - [ -0.0001093000000000, -0.0001243400000000, 0.0000690500000000 ] - [ -0.0011412800000000, 0.0002759500000000, 0.0002669600000000 ] - [ -0.0012045500000000, 0.0000355200000000, -0.0004268400000000 ] - [ -0.0012303600000000, -0.0007064000000000, -0.0002973600000000 ] - [ -0.0010937600000000, 0.0003959100000000, 0.0002397300000000 ] - [ 0.0002143500000000, -0.0000102400000000, -0.0000155600000000 ] - [ -0.0010194400000000, 0.0001275600000000, 0.0000471500000000 ] - [ 0.0009592900000000, 0.0000626500000000, -0.0000376100000000 ] - [ 0.0001519500000000, 0.0000910100000000, 0.0000118500000000 ] - [ 0.0007334600000000, 0.0000893800000000, 0.0000727000000000 ] - [ 0.0002258700000000, -0.0002148600000000, -0.0000998100000000 ] - [ 0.0003636300000000, -0.0001831000000000, 0.0003945400000000 ] - [ -0.0001591000000000, -0.0000861500000000, 0.0004734900000000 ] - [ 0.0002246100000000, -0.0003260700000000, -0.0012088500000000 ] - [ -0.0003040300000000, 0.0002339400000000, -0.0002973100000000 ] - [ 0.0005439900000000, 0.0002331400000000, 0.0007456300000000 ] - [ -0.0004525900000000, 0.0000429200000000, 0.0003990300000000 ] - [ 0.0000961800000000, -0.0001107200000000, -0.0003374800000000 ] - [ -0.0002966100000000, -0.0001926500000000, -0.0005389800000000 ] - [ -0.0000011100000000, 0.0006959700000000, -0.0009610300000000 ] - [ -0.0003467200000000, -0.0000823600000000, -0.0002529400000000 ] - [ -0.0011608700000000, 0.0024625000000000, -0.0088588100000000 ] - [ -0.0006167000000000, -0.0002121300000000, 0.0006573300000000 ] - [ -0.0008024100000000, -0.0002985100000000, 0.0032578200000000 ] - [ -0.0004150900000000, -0.0000991800000000, -0.0006247200000000 ] - [ 0.0004712800000000, -0.0001665300000000, 0.0007712900000000 ] - [ -0.0002116300000000, 0.0001671900000000, 0.0003604100000000 ] - [ 0.0004527500000000, -0.0000675700000000, -0.0004466400000000 ] - [ -0.0002936000000000, -0.0003477400000000, -0.0002390400000000 ] - [ 0.0001504800000000, 0.0001636900000000, 0.0002370200000000 ] - [ -0.0001431100000000, 0.0002937700000000, 0.0002609800000000 ] - [ 0.0003502800000000, 0.0003045700000000, -0.0001205200000000 ] - [ -0.0002999900000000, 0.0002034900000000, -0.0003318400000000 ] - [ 0.0000677600000000, -0.0010113800000000, 0.0007614500000000 ] - [ -0.0004092700000000, -0.0000060600000000, 0.0003046800000000 ] - [ 0.0001020300000000, 0.0002894400000000, 0.0001327700000000 ] - [ -0.0004000000000000, 0.0001377200000000, 0.0003363900000000 ] - [ 0.0003944200000000, -0.0005877400000000, -0.0007892000000000 ] - [ -0.0003490500000000, -0.0001867100000000, -0.0002556600000000 ] - [ -0.0008017500000000, 0.0027758500000000, 0.0003298300000000 ] - [ -0.0004872400000000, -0.0004395700000000, 0.0002690500000000 ] - [ -0.0068458400000000, -0.0049581300000000, 0.0091571200000000 ] - [ -0.0005669300000000, 0.0003009500000000, -0.0004162000000000 ] - [ 0.0008176000000000, -0.0002807300000000, 0.0001557800000000 ] - [ -0.0004853700000000, -0.0001954300000000, 0.0000488100000000 ] - [ 0.0000021900000000, 0.0002117300000000, -0.0001096700000000 ] - [ 0.0000033500000000, 0.0002093400000000, -0.0001473200000000 ] - [ 0.0000681600000000, 0.0002084000000000, 0.0001332100000000 ] - [ -0.0003568900000000, 0.0002317300000000, 0.0001686100000000 ] - [ 0.0014093100000000, -0.0015194300000000, -0.0002722800000000 ] - [ -0.0007260200000000, -0.0001828300000000, -0.0001672100000000 ] - [ 0.0012683500000000, 0.0002071400000000, -0.0000471900000000 ] - [ -0.0006692400000000, 0.0002418500000000, -0.0001945300000000 ] - [ 0.0000760700000000, -0.0003312700000000, 0.0000163800000000 ] - [ -0.0003376100000000, -0.0001425300000000, 0.0001526000000000 ] - [ -0.0007609300000000, 0.0003111400000000, -0.0001308800000000 ] - [ -0.0007613300000000, -0.0007031800000000, 0.0000637000000000 ] - [ 0.0003628400000000, 0.0000483800000000, -0.0002140100000000 ] - [ -0.0010579100000000, -0.0001288500000000, 0.0000563900000000 ] - [ -0.0003265600000000, 0.0001354000000000, 0.0002615800000000 ] - [ 0.0001826400000000, -0.0002965200000000, 0.0000328200000000 ] - [ -0.0004218300000000, 0.0001503500000000, -0.0000248000000000 ] - [ 0.0001498600000000, 0.0001602700000000, -0.0000612200000000 ] - [ -0.0000768500000000, 0.0002492300000000, -0.0000949900000000 ] - [ 0.0003792500000000, 0.0001015800000000, 0.0001029100000000 ] - [ -0.0012487100000000, -0.0016183200000000, -0.0008495100000000 ] - [ 0.0007174500000000, -0.0000250400000000, -0.0000754700000000 ] - [ -0.0005217200000000, 0.0005364900000000, 0.0013480900000000 ] - [ 0.0006703500000000, 0.0001302800000000, -0.0001790300000000 ] - [ -0.0000941100000000, -0.0004006900000000, 0.0002090100000000 ] - [ 0.0004180000000000, -0.0000182600000000, 0.0000760000000000 ] - [ -0.0012443100000000, 0.0017143800000000, -0.0008696000000000 ] - [ 0.0004993200000000, -0.0002695700000000, 0.0000234900000000 ] - [ -0.0073328200000000, 0.0009878000000000, 0.0012153500000000 ] - [ 0.0010437100000000, 0.0001669000000000, 0.0000479700000000 ] - [ -0.0022198300000000, -0.0007626200000000, -0.0000784500000000 ] - [ 0.0005082000000000, 0.0000916800000000, -0.0000467300000000 ] - [ 0.0005550800000000, 0.0046368900000000, 0.0016064100000000 ] - [ 0.0024778100000000, -0.0010964400000000, -0.0001068800000000 ] - [ -0.0005883800000000, 0.0001494800000000, -0.0002408200000000 ] - [ 0.0017948900000000, 0.0002429200000000, -0.0002370700000000 ] - [ -0.0008558800000000, 0.0003914900000000, -0.0000276700000000 ] - [ 0.0018578000000000, -0.0004059600000000, -0.0001471500000000 ] - [ -0.0004504700000000, -0.0053348600000000, 0.0021045400000000 ] - [ 0.0012252200000000, 0.0006379200000000, -0.0002255900000000 ] - [ 0.0002133700000000, -0.0005865600000000, -0.0025674600000000 ] - [ 0.0023449400000000, 0.0002709700000000, 0.0005805100000000 ] - [ -0.1389978300000000, -0.0155458800000000, -0.0286961700000000 ] - [ 0.0021110900000000, 0.0001866900000000, -0.0000672900000000 ] - [ -0.0012443100000000, 0.0003461900000000, 0.0001272900000000 ] - [ -0.0000301000000000, 0.0000825400000000, 0.0003241200000000 ] - [ -0.0015860700000000, 0.0005169800000000, -0.0006303100000000 ] - [ 0.0006097700000000, 0.0000250000000000, 0.0000473500000000 ] - [ -0.0000627500000000, -0.0000562700000000, -0.0001026900000000 ] - [ 0.0001970500000000, -0.0000327900000000, 0.0001330600000000 ] - [ -0.0025294200000000, -0.0002873200000000, 0.0018245500000000 ] - [ 0.0007064600000000, -0.0000472700000000, 0.0000272700000000 ] - [ 0.0007864100000000, -0.0010118400000000, 0.0008719200000000 ] - [ 0.0006291400000000, 0.0005841300000000, -0.0004017300000000 ] - [ -0.0005872600000000, -0.0001175300000000, 0.0001265800000000 ] - [ 0.0004172700000000, -0.0000288300000000, -0.0000379900000000 ] - [ 0.0006756400000000, -0.0005419300000000, -0.0012555300000000 ] - [ 0.0007952900000000, 0.0000828200000000, 0.0006307600000000 ] - [ -0.0013600900000000, 0.0000065500000000, -0.0000234100000000 ] - [ 0.0005523800000000, 0.0000777800000000, 0.0000066200000000 ] - [ 0.0005609900000000, 0.0008163100000000, 0.0005956200000000 ] - [ 0.0004557200000000, -0.0003849900000000, -0.0003706100000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060513300000000, 0.0044053100000000, 0.0031831600000000 ] - [ -0.0000167400000000, -0.0005740200000000, -0.0001201100000000 ] - [ -0.0007256100000000, -0.0000109300000000, -0.0004854800000000 ] - [ 0.0001421800000000, 0.0003143800000000, 0.0000499500000000 ] - [ -0.0000209900000000, 0.0002140100000000, -0.0001796000000000 ] - [ -0.0000055000000000, 0.0003524000000000, -0.0000920000000000 ] - [ -0.0001758500000000, -0.0008648000000000, 0.0003495700000000 ] - [ 0.0000529300000000, -0.0006065300000000, 0.0001657100000000 ] - [ 0.0001630100000000, 0.0012024800000000, 0.0003384700000000 ] - [ -0.0000660100000000, 0.0006085600000000, 0.0001461100000000 ] - [ -0.0001454600000000, 0.0002555900000000, -0.0001396800000000 ] - [ 0.0000512000000000, -0.0003196400000000, -0.0000986600000000 ] - [ 0.0001165300000000, -0.0001495300000000, -0.0000174100000000 ] - [ -0.0000362700000000, -0.0002973300000000, 0.0000628300000000 ] - [ -0.0000045500000000, 0.0007522000000000, -0.0001346200000000 ] - [ 0.0000477100000000, 0.0005403400000000, -0.0001206200000000 ] - [ -0.0067326900000000, 0.0010508600000000, 0.0003322400000000 ] - [ 0.0001334500000000, -0.0002144300000000, 0.0000746200000000 ] - [ -0.0001105900000000, 0.0007726000000000, -0.0001006600000000 ] - [ 0.0001230200000000, 0.0001893100000000, -0.0001038800000000 ] - [ -0.0000269900000000, 0.0002542300000000, 0.0001271900000000 ] - [ -0.0000388000000000, 0.0001005700000000, 0.0001057700000000 ] - [ 0.0000264000000000, -0.0002000700000000, -0.0001661800000000 ] - [ -0.0000760900000000, -0.0001758200000000, -0.0001346700000000 ] - [ 0.0014731000000000, 0.0003518800000000, 0.0003400700000000 ] - [ -0.0001998800000000, -0.0000646300000000, -0.0000689400000000 ] - [ 0.0000913600000000, 0.0008649900000000, 0.0001556800000000 ] - [ -0.0000360000000000, 0.0000735600000000, 0.0001212900000000 ] - [ -0.0000623300000000, 0.0002109800000000, -0.0000728200000000 ] - [ 0.0000566700000000, 0.0000523900000000, -0.0000993800000000 ] - [ -0.0000691600000000, -0.0001335400000000, 0.0000904200000000 ] - [ 0.0000665600000000, -0.0000039100000000, 0.0001062700000000 ] - [ 0.0010358500000000, -0.0009966300000000, 0.0001216600000000 ] - [ 0.0004518700000000, -0.0001460400000000, 0.0000100100000000 ] - [ -0.0166877400000000, -0.0205201100000000, -0.0036690200000000 ] - [ 0.0000505700000000, 0.0001387500000000, 0.0001260800000000 ] - [ -0.0003977400000000, 0.0012015800000000, -0.0009968900000000 ] - [ 0.0006128200000000, -0.0001054400000000, -0.0000283400000000 ] - [ -0.0004673000000000, -0.0000914500000000, -0.0000193900000000 ] - [ -0.0005310700000000, -0.0000988000000000, 0.0000160800000000 ] - [ -0.0001378800000000, 0.0000843700000000, 0.0001401900000000 ] - [ -0.0009129300000000, 0.0000481500000000, 0.0001111300000000 ] - [ -0.0006430900000000, 0.0006047200000000, -0.0000012700000000 ] - [ -0.0005257000000000, 0.0001723600000000, -0.0000024000000000 ] - [ 0.0005615900000000, 0.0004285700000000, -0.0000255300000000 ] - [ 0.0005590600000000, 0.0001665500000000, -0.0000014500000000 ] - [ 0.0003747800000000, -0.0000494500000000, 0.0000033100000000 ] - [ 0.0006572100000000, -0.0000757100000000, 0.0000387900000000 ] - [ 0.0001177000000000, 0.0003032100000000, 0.0003900100000000 ] - [ 0.0000851100000000, -0.0000024900000000, 0.0004264300000000 ] - [ 0.0003496600000000, 0.0000565400000000, 0.0001541300000000 ] - [ 0.0000498100000000, 0.0000539200000000, -0.0003756600000000 ] - [ -0.0002753200000000, 0.0001726300000000, 0.0009614000000000 ] - [ -0.0000486800000000, 0.0000891500000000, 0.0004756400000000 ] - [ -0.0001594400000000, 0.0001960400000000, -0.0003599000000000 ] - [ -0.0000433000000000, 0.0000470200000000, -0.0004061100000000 ] - [ -0.0003412800000000, 0.0003679300000000, -0.0008355800000000 ] - [ -0.0000093900000000, 0.0001708600000000, -0.0005428200000000 ] - [ -0.0017561100000000, -0.0028168100000000, -0.0014532900000000 ] - [ -0.0000670000000000, -0.0002102800000000, 0.0004832000000000 ] - [ 0.0004049000000000, -0.0008918000000000, -0.0010741200000000 ] - [ 0.0000776600000000, -0.0002439700000000, -0.0004800200000000 ] - [ 0.0001527500000000, 0.0002508700000000, 0.0001973200000000 ] - [ 0.0000568400000000, 0.0001309200000000, 0.0004172300000000 ] - [ -0.0000950900000000, -0.0001446100000000, -0.0004686200000000 ] - [ 0.0000757100000000, -0.0002104200000000, -0.0003374600000000 ] - [ 0.0000149900000000, 0.0004462400000000, 0.0003164600000000 ] - [ 0.0000246500000000, 0.0003271200000000, 0.0003061200000000 ] - [ -0.0000953900000000, 0.0007249700000000, -0.0003306600000000 ] - [ 0.0000047100000000, 0.0003417900000000, -0.0003135600000000 ] - [ 0.0003727400000000, 0.0001718900000000, 0.0000248500000000 ] - [ -0.0001248200000000, -0.0001724400000000, 0.0003092400000000 ] - [ -0.0000207800000000, 0.0000578800000000, 0.0002777400000000 ] - [ -0.0000092100000000, 0.0001632600000000, 0.0002954900000000 ] - [ 0.0000472800000000, -0.0002804300000000, 0.0000868100000000 ] - [ -0.0000549700000000, -0.0002942200000000, -0.0002587800000000 ] - [ -0.0014467300000000, 0.0009476300000000, 0.0002550700000000 ] - [ 0.0001689100000000, -0.0002989100000000, 0.0003007400000000 ] - [ 0.0042875800000000, -0.0014015900000000, -0.0031806500000000 ] - [ 0.0000099200000000, 0.0001334100000000, -0.0003053300000000 ] - [ -0.0000343100000000, -0.0001815200000000, 0.0000460500000000 ] - [ 0.0000446600000000, -0.0002123400000000, 0.0001193800000000 ] - [ 0.0000267300000000, 0.0003244900000000, -0.0001081800000000 ] - [ 0.0000316000000000, 0.0003267200000000, -0.0001081200000000 ] - [ -0.0000286400000000, 0.0004720300000000, 0.0001175400000000 ] - [ -0.0000084500000000, 0.0003696200000000, 0.0001113900000000 ] - [ 0.0012719600000000, 0.0019854500000000, 0.0007170000000000 ] - [ -0.0000561500000000, -0.0002071500000000, -0.0001118800000000 ] - [ -0.0000331600000000, -0.0000332400000000, -0.0001671100000000 ] - [ 0.0000006200000000, 0.0001553000000000, -0.0001203600000000 ] - [ 0.0000925300000000, -0.0001957900000000, 0.0001578100000000 ] - [ -0.0000983200000000, -0.0002235900000000, 0.0001367400000000 ] - [ -0.0004600400000000, -0.0000872100000000, -0.0001946900000000 ] - [ 0.0005523900000000, -0.0000886800000000, -0.0002551800000000 ] - [ -0.0005770500000000, -0.0001495100000000, -0.0000727600000000 ] - [ -0.0005197300000000, -0.0001099900000000, 0.0000020700000000 ] - [ -0.0002204700000000, -0.0002237100000000, -0.0000362700000000 ] - [ -0.0000796300000000, -0.0001541400000000, 0.0000637700000000 ] - [ -0.0001095400000000, -0.0001513400000000, -0.0000805600000000 ] - [ -0.0001379500000000, 0.0000549000000000, -0.0000766500000000 ] - [ 0.0001241300000000, -0.0004032100000000, 0.0000997600000000 ] - [ 0.0001199900000000, -0.0000137900000000, 0.0000783100000000 ] - [ 0.0007409600000000, -0.0012892800000000, -0.0006357200000000 ] - [ -0.0000079000000000, -0.0001610000000000, -0.0000664300000000 ] - [ 0.0001363700000000, 0.0006118900000000, -0.0000305300000000 ] - [ 0.0000955500000000, 0.0002322300000000, -0.0000683300000000 ] - [ 0.0002057400000000, -0.0000978900000000, 0.0001677200000000 ] - [ 0.0000364400000000, -0.0001248900000000, 0.0000675400000000 ] - [ -0.0008933200000000, -0.0012922800000000, 0.0008241100000000 ] - [ -0.0000029300000000, -0.0001251100000000, -0.0000457700000000 ] - [ -0.0016911100000000, 0.0023798100000000, 0.0004897000000000 ] - [ -0.0001938700000000, 0.0003515600000000, 0.0000680000000000 ] - [ -0.0002940800000000, -0.0004391500000000, -0.0003039600000000 ] - [ -0.0008500600000000, -0.0002277800000000, -0.0001613800000000 ] - [ -0.0019798100000000, -0.0021689400000000, -0.0010754400000000 ] - [ 0.0011587300000000, -0.0003071800000000, 0.0000263200000000 ] - [ 0.0007415100000000, -0.0017417300000000, -0.0001586600000000 ] - [ 0.0006111200000000, -0.0002106200000000, -0.0001220400000000 ] - [ 0.0005591400000000, -0.0002330100000000, -0.0001553400000000 ] - [ 0.0007587400000000, -0.0001311900000000, -0.0001730600000000 ] - [ 0.0019397900000000, -0.0018827500000000, 0.0016062800000000 ] - [ -0.0013213500000000, -0.0002265600000000, 0.0003420900000000 ] - [ 0.0006829900000000, 0.0013415500000000, 0.0003667100000000 ] - [ 0.0006332400000000, 0.0006099000000000, 0.0001599000000000 ] - [ 0.0153304200000000, 0.0174003500000000, 0.0036060700000000 ] - [ -0.0006967000000000, 0.0006545400000000, -0.0001607700000000 ] - [ -0.0006611800000000, -0.0006944900000000, 0.0001192500000000 ] - [ -0.0007088300000000, -0.0002053400000000, 0.0001122600000000 ] - [ -0.0001065100000000, -0.0010799300000000, 0.0013063600000000 ] - [ 0.0000071500000000, 0.0000548500000000, 0.0000198300000000 ] - [ 0.0000020800000000, -0.0003025300000000, -0.0000043400000000 ] - [ -0.0000140900000000, -0.0003108100000000, -0.0000188700000000 ] - [ 0.0001415600000000, 0.0013406500000000, -0.0000222700000000 ] - [ -0.0000323600000000, 0.0000434500000000, 0.0000058600000000 ] - [ 0.0004127000000000, 0.0000213600000000, 0.0003433700000000 ] - [ -0.0002714100000000, 0.0000965500000000, 0.0001681300000000 ] - [ 0.0000181100000000, -0.0005772200000000, 0.0000843700000000 ] - [ -0.0000263400000000, -0.0001506700000000, 0.0000060500000000 ] - [ 0.0000134900000000, 0.0004865500000000, -0.0000420300000000 ] - [ -0.0001004800000000, 0.0002875900000000, -0.0000789100000000 ] - [ 0.0002864300000000, -0.0009142600000000, -0.0007094500000000 ] - [ -0.0000506400000000, 0.0000055300000000, -0.0000187200000000 ] - [ -0.0005736900000000, -0.0001916400000000, -0.0003511300000000 ] - [ 0.0002636300000000, 0.0000163800000000, -0.0001977300000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0061071800000000, -0.0053593700000000, -0.0034496700000000 ] - [ 0.0000516300000000, -0.0003395600000000, -0.0001021000000000 ] - [ 0.0007601500000000, 0.0009324800000000, 0.0007108800000000 ] - [ -0.0001011800000000, 0.0005976600000000, 0.0001687600000000 ] - [ -0.0000120100000000, 0.0007057100000000, -0.0000458700000000 ] - [ -0.0000350800000000, 0.0005577800000000, -0.0001250900000000 ] - [ 0.0001417700000000, -0.0000400600000000, -0.0001296000000000 ] - [ -0.0000941400000000, -0.0003004500000000, 0.0000515200000000 ] - [ -0.0002047200000000, -0.0002992000000000, -0.0001237000000000 ] - [ 0.0000312000000000, 0.0003022900000000, 0.0000749800000000 ] - [ 0.0001273200000000, -0.0011875000000000, -0.0000938500000000 ] - [ -0.0000934500000000, -0.0005888800000000, -0.0001173000000000 ] - [ -0.0000991000000000, -0.0007847700000000, 0.0002531900000000 ] - [ 0.0000805900000000, -0.0006121300000000, 0.0001530100000000 ] - [ 0.0000410600000000, 0.0001518100000000, -0.0000827900000000 ] - [ -0.0000046200000000, 0.0003663500000000, -0.0000967100000000 ] - [ 0.0067326200000000, -0.0011508100000000, -0.0001194300000000 ] - [ -0.0000666700000000, 0.0001270400000000, 0.0001404100000000 ] - [ 0.0001789200000000, -0.0006885600000000, -0.0001138500000000 ] - [ -0.0000538900000000, -0.0001018400000000, -0.0001099400000000 ] - [ -0.0000413500000000, -0.0001700600000000, 0.0000879200000000 ] - [ -0.0000303500000000, -0.0000113800000000, 0.0001092700000000 ] - [ -0.0000936300000000, 0.0001105000000000, -0.0000478800000000 ] - [ 0.0000099600000000, 0.0000893900000000, -0.0000812700000000 ] - [ -0.0015306300000000, -0.0002586900000000, -0.0005499400000000 ] - [ 0.0001343600000000, 0.0001521500000000, -0.0001451000000000 ] - [ -0.0001599400000000, -0.0009597600000000, 0.0000580900000000 ] - [ -0.0000324000000000, -0.0001619400000000, 0.0000932600000000 ] - [ 0.0001291800000000, -0.0003018100000000, -0.0001415400000000 ] - [ 0.0000129900000000, -0.0001423100000000, -0.0001164700000000 ] - [ 0.0001367800000000, 0.0002252000000000, 0.0001238700000000 ] - [ 0.0000010400000000, 0.0000902100000000, 0.0001092900000000 ] - [ 0.0000681100000000, 0.0012015500000000, -0.0001086600000000 ] - [ 0.0006324300000000, 0.0003407900000000, -0.0000036100000000 ] - [ 0.0164050900000000, 0.0207669900000000, 0.0037836400000000 ] - [ 0.0000063200000000, 0.0002931500000000, 0.0001017800000000 ] - [ 0.0014862400000000, -0.0014070500000000, 0.0010011700000000 ] - [ 0.0004731800000000, -0.0000925000000000, 0.0000195100000000 ] - [ -0.0006226600000000, 0.0002885000000000, 0.0000120700000000 ] - [ -0.0005534200000000, 0.0003003500000000, -0.0000255900000000 ] - [ -0.0009516000000000, -0.0002840300000000, -0.0001521500000000 ] - [ -0.0001695700000000, -0.0002443400000000, -0.0001184300000000 ] - [ -0.0004403600000000, -0.0004229800000000, 0.0000033400000000 ] - [ -0.0005604600000000, 0.0000263400000000, 0.0000119600000000 ] - [ 0.0005178000000000, -0.0002454800000000, 0.0000237700000000 ] - [ 0.0005286500000000, 0.0000329600000000, -0.0000098100000000 ] - [ 0.0007152400000000, -0.0001471600000000, 0.0000071300000000 ] - [ 0.0004274500000000, -0.0001256400000000, -0.0000284700000000 ] - [ 0.0000617500000000, -0.0005320100000000, 0.0005221900000000 ] - [ 0.0000917200000000, -0.0002168800000000, 0.0004803200000000 ] - [ -0.0001766200000000, 0.0001594700000000, -0.0010554500000000 ] - [ 0.0001302800000000, 0.0001692800000000, -0.0005312500000000 ] - [ 0.0001010900000000, 0.0000459200000000, -0.0000531800000000 ] - [ -0.0001290200000000, 0.0001331200000000, 0.0004304600000000 ] - [ -0.0000184400000000, -0.0004192300000000, -0.0005496300000000 ] - [ -0.0001348100000000, -0.0002716200000000, -0.0005027000000000 ] - [ 0.0001628300000000, -0.0001451900000000, -0.0000708300000000 ] - [ -0.0001680000000000, 0.0000483400000000, -0.0003634500000000 ] - [ 0.0016070400000000, 0.0025889500000000, 0.0023873700000000 ] - [ -0.0001115300000000, -0.0000144700000000, 0.0004242600000000 ] - [ -0.0002391700000000, 0.0006818500000000, 0.0001738100000000 ] - [ 0.0001012600000000, 0.0000202400000000, -0.0004275000000000 ] - [ 0.0000236300000000, -0.0000301200000000, 0.0007097100000000 ] - [ 0.0001231000000000, 0.0000934000000000, 0.0004928900000000 ] - [ 0.0001594700000000, -0.0003616400000000, -0.0001027700000000 ] - [ -0.0000360300000000, -0.0002916800000000, -0.0002637400000000 ] - [ 0.0000223000000000, 0.0000520700000000, 0.0002883200000000 ] - [ 0.0000208100000000, 0.0001742200000000, 0.0002883200000000 ] - [ 0.0000496700000000, -0.0002276900000000, -0.0002684400000000 ] - [ -0.0000429200000000, 0.0001571900000000, -0.0002873500000000 ] - [ -0.0004363700000000, -0.0006742800000000, 0.0005422900000000 ] - [ 0.0000869400000000, -0.0003271700000000, 0.0002920200000000 ] - [ -0.0000304800000000, 0.0004463800000000, 0.0003143000000000 ] - [ -0.0000319200000000, 0.0003385000000000, 0.0003024200000000 ] - [ -0.0000879500000000, -0.0002191300000000, -0.0006891700000000 ] - [ 0.0000090100000000, -0.0002082300000000, -0.0003342500000000 ] - [ 0.0015073100000000, -0.0014579300000000, 0.0003355900000000 ] - [ -0.0001291400000000, -0.0002007400000000, 0.0003003600000000 ] - [ -0.0042344700000000, 0.0019398100000000, 0.0025829300000000 ] - [ 0.0000326100000000, 0.0003658900000000, -0.0002943800000000 ] - [ 0.0000959700000000, -0.0002505700000000, 0.0002033100000000 ] - [ 0.0000119600000000, -0.0002211500000000, 0.0001064800000000 ] - [ 0.0000262500000000, 0.0001043700000000, -0.0001141800000000 ] - [ 0.0000281900000000, 0.0001042100000000, -0.0001228800000000 ] - [ -0.0000257000000000, -0.0000453200000000, 0.0001118200000000 ] - [ -0.0000476700000000, 0.0000613000000000, 0.0001126200000000 ] - [ -0.0013254400000000, -0.0023852500000000, -0.0009559700000000 ] - [ 0.0000012300000000, -0.0002253900000000, -0.0001139400000000 ] - [ -0.0000246900000000, 0.0004654300000000, -0.0000674600000000 ] - [ -0.0000572600000000, 0.0002776700000000, -0.0001073600000000 ] - [ -0.0001487200000000, -0.0002357600000000, 0.0000665500000000 ] - [ 0.0000411300000000, -0.0002086300000000, 0.0000955700000000 ] - [ 0.0005213500000000, -0.0003439200000000, -0.0000373600000000 ] - [ -0.0004954300000000, -0.0003431900000000, 0.0000300300000000 ] - [ -0.0005077200000000, -0.0000429600000000, 0.0000792700000000 ] - [ -0.0005651500000000, -0.0000884500000000, 0.0000082800000000 ] - [ -0.0000104400000000, -0.0000582500000000, 0.0001606500000000 ] - [ -0.0001684500000000, -0.0001336200000000, 0.0000773000000000 ] - [ -0.0001385600000000, 0.0004516200000000, -0.0000612200000000 ] - [ -0.0001030700000000, 0.0002303600000000, -0.0000627400000000 ] - [ 0.0001255800000000, 0.0007021100000000, 0.0000477500000000 ] - [ 0.0001191300000000, 0.0003031700000000, 0.0000574100000000 ] - [ -0.0004995400000000, 0.0010021000000000, 0.0005080000000000 ] - [ 0.0002519900000000, -0.0001253300000000, -0.0000728800000000 ] - [ 0.0000984200000000, -0.0003410400000000, -0.0001145900000000 ] - [ 0.0001507200000000, 0.0000554900000000, -0.0000718900000000 ] - [ 0.0000374000000000, -0.0001937700000000, -0.0000322200000000 ] - [ 0.0002055500000000, -0.0001621600000000, 0.0000716900000000 ] - [ 0.0006571700000000, 0.0009994000000000, -0.0009685000000000 ] - [ -0.0002393300000000, -0.0001648800000000, -0.0000890300000000 ] - [ 0.0014151100000000, -0.0020729500000000, -0.0003368300000000 ] - [ -0.0000520700000000, -0.0000657300000000, 0.0000708300000000 ] - [ -0.0010835600000000, 0.0000725300000000, -0.0000290800000000 ] - [ -0.0005145800000000, -0.0001305200000000, -0.0001447500000000 ] - [ 0.0033452400000000, 0.0017994800000000, 0.0014046800000000 ] - [ 0.0001950800000000, -0.0000586800000000, 0.0002768200000000 ] - [ 0.0006163200000000, 0.0021425600000000, -0.0001465700000000 ] - [ 0.0007541400000000, 0.0005699500000000, -0.0001832000000000 ] - [ 0.0008020600000000, -0.0001399000000000, -0.0001454000000000 ] - [ 0.0006073200000000, -0.0002352700000000, -0.0001463500000000 ] - [ -0.0033146700000000, 0.0015129200000000, -0.0012982300000000 ] - [ -0.0000420500000000, -0.0001358900000000, -0.0000353800000000 ] - [ 0.0006901300000000, -0.0009891700000000, -0.0000677100000000 ] - [ 0.0007277000000000, -0.0002517900000000, 0.0001502200000000 ] - [ -0.0162269300000000, -0.0168207800000000, -0.0037999700000000 ] - [ -0.0006688500000000, -0.0002856700000000, -0.0001439100000000 ] - [ -0.0006876900000000, 0.0010886600000000, 0.0001742600000000 ] - [ -0.0006618100000000, 0.0005695700000000, 0.0002076900000000 ] - [ 0.0001091000000000, 0.0011986800000000, -0.0012962200000000 ] - [ -0.0000084800000000, 0.0000516300000000, -0.0000199100000000 ] - [ -0.0000037200000000, 0.0001999500000000, 0.0000044900000000 ] - [ 0.0000148800000000, 0.0002084300000000, 0.0000181800000000 ] - [ -0.0001367300000000, -0.0014529300000000, 0.0000128300000000 ] - [ 0.0000314000000000, -0.0001481000000000, -0.0000059500000000 ] - [ -0.0004400900000000, 0.0000775500000000, -0.0003436400000000 ] - [ 0.0002960100000000, 0.0000015700000000, -0.0001675700000000 ] - [ -0.0000122600000000, 0.0004815800000000, -0.0000854700000000 ] - [ 0.0000215100000000, 0.0000525300000000, -0.0000061100000000 ] - [ -0.0000251300000000, -0.0005853900000000, 0.0000448300000000 ] - [ 0.0001084800000000, -0.0003863300000000, 0.0000781700000000 ] - [ -0.0002910400000000, 0.0010201800000000, 0.0007125300000000 ] - [ 0.0000551200000000, 0.0000920800000000, 0.0000189000000000 ] - [ 0.0005732800000000, 0.0002950100000000, 0.0003510000000000 ] - [ -0.0002637400000000, 0.0000890700000000, 0.0001987700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0028823600000000, 0.0037976000000000, -0.0014028900000000 ] - [ 0.0000467600000000, -0.0004557900000000, -0.0001644000000000 ] - [ 0.0011015700000000, -0.0006335800000000, 0.0000000600000000 ] - [ -0.0000743000000000, 0.0003678800000000, -0.0000049200000000 ] - [ -0.0003971500000000, -0.0000163800000000, 0.0005620400000000 ] - [ 0.0000482200000000, 0.0003932800000000, -0.0000291000000000 ] - [ -0.0002471100000000, -0.0002793300000000, 0.0005819700000000 ] - [ 0.0001142700000000, -0.0004230800000000, 0.0001964600000000 ] - [ 0.0000246000000000, 0.0006713900000000, 0.0000628000000000 ] - [ -0.0000169400000000, 0.0004473100000000, 0.0000674600000000 ] - [ -0.0000221200000000, -0.0006466800000000, -0.0003136900000000 ] - [ -0.0000023500000000, -0.0004794800000000, -0.0001630600000000 ] - [ -0.0000940900000000, -0.0005776500000000, 0.0002417900000000 ] - [ 0.0001031400000000, -0.0005597900000000, 0.0001941400000000 ] - [ -0.0000264300000000, 0.0005196200000000, 0.0000404100000000 ] - [ 0.0000628700000000, 0.0004606300000000, -0.0000750300000000 ] - [ -0.0006882800000000, -0.0002231700000000, -0.0031634500000000 ] - [ 0.0001032600000000, -0.0000761000000000, 0.0000038000000000 ] - [ 0.0000798100000000, -0.0001644600000000, -0.0003701200000000 ] - [ 0.0000584800000000, 0.0000430000000000, -0.0001523600000000 ] - [ -0.0000872900000000, -0.0000023200000000, 0.0003263100000000 ] - [ -0.0000131300000000, 0.0000310900000000, 0.0001418800000000 ] - [ -0.0001203800000000, -0.0002000400000000, 0.0004638100000000 ] - [ 0.0000279500000000, -0.0000998600000000, 0.0000723000000000 ] - [ 0.0006436900000000, 0.0006554700000000, -0.0006369900000000 ] - [ -0.0000157600000000, 0.0000258900000000, -0.0002713800000000 ] - [ -0.0000908400000000, 0.0000529600000000, -0.0001172700000000 ] - [ -0.0000017300000000, -0.0000566100000000, 0.0000724300000000 ] - [ 0.0000013800000000, -0.0000664800000000, 0.0000481500000000 ] - [ 0.0000665500000000, -0.0000429300000000, -0.0000627000000000 ] - [ -0.0000464700000000, -0.0001135900000000, 0.0007899800000000 ] - [ 0.0000752300000000, 0.0000485600000000, 0.0002030100000000 ] - [ 0.0015641300000000, 0.0002288800000000, -0.0008228100000000 ] - [ 0.0004648400000000, 0.0001073300000000, -0.0001704700000000 ] - [ -0.0268159100000000, -0.0035440600000000, -0.0274101000000000 ] - [ 0.0001183100000000, 0.0002238900000000, 0.0000633400000000 ] - [ 0.0010387100000000, -0.0013945400000000, -0.0001781400000000 ] - [ 0.0005807000000000, -0.0001155700000000, -0.0000386500000000 ] - [ -0.0008623700000000, 0.0002019300000000, 0.0002496900000000 ] - [ -0.0000064100000000, 0.0001498900000000, 0.0003164500000000 ] - [ -0.0003202300000000, 0.0000440100000000, -0.0000462500000000 ] - [ -0.0006150500000000, -0.0000773700000000, -0.0001123700000000 ] - [ -0.0006173300000000, 0.0000737500000000, -0.0001405000000000 ] - [ -0.0004913700000000, 0.0000911400000000, -0.0000202500000000 ] - [ 0.0004475800000000, 0.0000293700000000, 0.0001272400000000 ] - [ 0.0006100000000000, 0.0000943700000000, 0.0000084800000000 ] - [ 0.0004524500000000, -0.0000503600000000, 0.0001670600000000 ] - [ 0.0006322300000000, -0.0000721300000000, 0.0001038200000000 ] - [ 0.0000807800000000, -0.0000342800000000, 0.0003955500000000 ] - [ 0.0000999200000000, -0.0001025400000000, 0.0004218200000000 ] - [ 0.0004431000000000, 0.0006573800000000, -0.0004706700000000 ] - [ 0.0000448300000000, 0.0001795400000000, -0.0005068200000000 ] - [ -0.0004644100000000, 0.0006962900000000, 0.0010336000000000 ] - [ -0.0000099100000000, 0.0001635300000000, 0.0005083600000000 ] - [ -0.0001685600000000, -0.0000902800000000, -0.0004567800000000 ] - [ -0.0000188700000000, -0.0000642800000000, -0.0004180300000000 ] - [ 0.0000729200000000, -0.0001996000000000, -0.0002596300000000 ] - [ -0.0001052200000000, 0.0000971700000000, -0.0004742300000000 ] - [ 0.0070384100000000, -0.0025364500000000, 0.0076679200000000 ] - [ -0.0000791100000000, -0.0000988500000000, 0.0003968700000000 ] - [ -0.0015181600000000, -0.0002047700000000, 0.0015452500000000 ] - [ 0.0002434200000000, -0.0001106900000000, -0.0004246900000000 ] - [ -0.0000369400000000, -0.0001004600000000, 0.0005924900000000 ] - [ 0.0001470800000000, 0.0001071700000000, 0.0005022000000000 ] - [ 0.0000252300000000, -0.0003279100000000, 0.0000845300000000 ] - [ 0.0000228900000000, -0.0002464900000000, -0.0002158400000000 ] - [ 0.0000230900000000, 0.0002822700000000, 0.0004871000000000 ] - [ 0.0000311300000000, 0.0002501900000000, 0.0003667000000000 ] - [ -0.0000969200000000, 0.0003232200000000, -0.0004994500000000 ] - [ 0.0000266200000000, 0.0002599000000000, -0.0003338100000000 ] - [ -0.0000415700000000, -0.0001309800000000, -0.0001918400000000 ] - [ 0.0000755600000000, -0.0002828500000000, 0.0001264800000000 ] - [ 0.0003481000000000, 0.0002204600000000, 0.0012644700000000 ] - [ -0.0000383400000000, 0.0002568600000000, 0.0005596500000000 ] - [ 0.0000117900000000, 0.0000708300000000, 0.0005500800000000 ] - [ 0.0000032800000000, -0.0002329100000000, -0.0002263200000000 ] - [ -0.0003267300000000, 0.0001433200000000, -0.0008412400000000 ] - [ 0.0001094500000000, -0.0002108200000000, 0.0001165300000000 ] - [ -0.0071051000000000, -0.0023623200000000, -0.0000547800000000 ] - [ 0.0001256100000000, 0.0002523300000000, -0.0004267800000000 ] - [ -0.0000132800000000, -0.0001208000000000, 0.0005311000000000 ] - [ 0.0000949400000000, -0.0002200000000000, 0.0001538000000000 ] - [ -0.0000033800000000, 0.0002031900000000, -0.0000426200000000 ] - [ 0.0000347300000000, 0.0002123300000000, -0.0000434900000000 ] - [ -0.0000113400000000, 0.0002149700000000, 0.0000229600000000 ] - [ 0.0000240700000000, 0.0002132600000000, 0.0000514200000000 ] - [ 0.0001238800000000, 0.0006358800000000, -0.0006452000000000 ] - [ 0.0000260700000000, -0.0002122200000000, -0.0001454700000000 ] - [ -0.0000971300000000, 0.0002582000000000, 0.0013891400000000 ] - [ 0.0000530600000000, 0.0002172400000000, -0.0000370100000000 ] - [ -0.0001388900000000, -0.0002598800000000, 0.0003609000000000 ] - [ 0.0000089200000000, -0.0002304600000000, 0.0001904400000000 ] - [ 0.0002092400000000, -0.0003555300000000, -0.0003267500000000 ] - [ 0.0000249200000000, -0.0002880000000000, -0.0003503200000000 ] - [ -0.0007925700000000, -0.0004739200000000, 0.0004512200000000 ] - [ -0.0004907500000000, -0.0001030400000000, 0.0000330900000000 ] - [ -0.0001763800000000, -0.0002589400000000, -0.0002693900000000 ] - [ -0.0001232900000000, -0.0001475100000000, -0.0000207100000000 ] - [ -0.0001131500000000, 0.0001748700000000, -0.0002135800000000 ] - [ -0.0001373600000000, 0.0001492200000000, -0.0000969100000000 ] - [ 0.0001704000000000, 0.0001400900000000, 0.0002407800000000 ] - [ 0.0000668300000000, 0.0001495900000000, 0.0001226100000000 ] - [ 0.0005328700000000, -0.0005006000000000, 0.0002814200000000 ] - [ 0.0000137400000000, -0.0001655300000000, -0.0000177200000000 ] - [ -0.0000597000000000, -0.0002769200000000, -0.0018777100000000 ] - [ 0.0001288500000000, 0.0001452500000000, -0.0001324600000000 ] - [ 0.0000358500000000, -0.0000155600000000, -0.0003023800000000 ] - [ 0.0001173600000000, -0.0001505500000000, -0.0000340800000000 ] - [ 0.0002479600000000, 0.0005940200000000, 0.0008193900000000 ] - [ -0.0002278000000000, -0.0001267200000000, -0.0000349700000000 ] - [ -0.0022351200000000, 0.0005596400000000, 0.0026186000000000 ] - [ -0.0003185100000000, 0.0001464400000000, 0.0002457600000000 ] - [ -0.0003122300000000, -0.0004638900000000, -0.0015931500000000 ] - [ -0.0008662500000000, -0.0002338700000000, -0.0003824100000000 ] - [ -0.0001406600000000, -0.0016138800000000, 0.0009513800000000 ] - [ 0.0006619600000000, -0.0002171100000000, 0.0004770900000000 ] - [ 0.0007758900000000, 0.0001832300000000, 0.0003415100000000 ] - [ 0.0005577300000000, 0.0001978200000000, -0.0000068400000000 ] - [ 0.0011698100000000, 0.0003805000000000, -0.0016776100000000 ] - [ 0.0005309700000000, -0.0001347200000000, -0.0003444500000000 ] - [ -0.0018482400000000, 0.0016517800000000, 0.0016620200000000 ] - [ -0.0006755200000000, -0.0000855200000000, 0.0004852500000000 ] - [ 0.0014540600000000, -0.0003387100000000, -0.0031536500000000 ] - [ 0.0001309800000000, 0.0001884400000000, -0.0003720700000000 ] - [ 0.0254747500000000, 0.0036424600000000, 0.0218241000000000 ] - [ -0.0008276100000000, 0.0001812600000000, 0.0001697000000000 ] - [ -0.0004890100000000, 0.0002901700000000, -0.0002209600000000 ] - [ -0.0008115500000000, 0.0002266800000000, -0.0000315300000000 ] - [ 0.0003746200000000, 0.0014479900000000, -0.0001997800000000 ] - [ -0.0000906600000000, 0.0000728900000000, 0.0000083500000000 ] - [ 0.0000552500000000, -0.0000294400000000, 0.0000092000000000 ] - [ -0.0000781300000000, -0.0000372500000000, -0.0000529100000000 ] - [ -0.0003175700000000, 0.0000317800000000, -0.0001903400000000 ] - [ -0.0000394500000000, -0.0000399800000000, -0.0000238300000000 ] - [ -0.0005946700000000, 0.0006123000000000, -0.0000106700000000 ] - [ 0.0001934800000000, 0.0001828400000000, 0.0001012100000000 ] - [ 0.0000706700000000, 0.0001018200000000, -0.0000654800000000 ] - [ -0.0000411800000000, -0.0000402300000000, -0.0000064200000000 ] - [ 0.0006191600000000, -0.0003256000000000, -0.0002560600000000 ] - [ -0.0004815400000000, -0.0001412000000000, -0.0001844200000000 ] - [ 0.0003053900000000, -0.0005851300000000, -0.0001578700000000 ] - [ -0.0001000000000000, 0.0000272300000000, 0.0000137200000000 ] - [ -0.0003714500000000, -0.0002362900000000, -0.0001605700000000 ] - [ 0.0000965400000000, -0.0000163100000000, 0.0000689400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0028461500000000, -0.0047082300000000, 0.0011974000000000 ] - [ 0.0000030600000000, -0.0004471600000000, -0.0000553100000000 ] - [ -0.0010439400000000, 0.0015316400000000, 0.0002159300000000 ] - [ 0.0001251500000000, 0.0005381600000000, 0.0002236200000000 ] - [ 0.0003401100000000, 0.0009167200000000, -0.0007801700000000 ] - [ -0.0000955100000000, 0.0005134800000000, -0.0001910700000000 ] - [ 0.0001987600000000, -0.0006282500000000, -0.0003588200000000 ] - [ -0.0001432000000000, -0.0005024500000000, 0.0000420600000000 ] - [ -0.0000869500000000, 0.0002287700000000, 0.0001508400000000 ] - [ -0.0000309100000000, 0.0004554400000000, 0.0001526200000000 ] - [ -0.0000276400000000, -0.0002616100000000, 0.0000953800000000 ] - [ -0.0000466100000000, -0.0004251900000000, -0.0000551000000000 ] - [ 0.0001435800000000, -0.0003254000000000, -0.0000221600000000 ] - [ -0.0000526600000000, -0.0003457400000000, 0.0000263100000000 ] - [ 0.0000755000000000, 0.0003863100000000, -0.0002613400000000 ] - [ -0.0000000800000000, 0.0004380400000000, -0.0001391600000000 ] - [ 0.0008105000000000, 0.0000929700000000, 0.0033658800000000 ] - [ -0.0000222400000000, -0.0000160200000000, 0.0002097800000000 ] - [ -0.0000003800000000, 0.0002581700000000, 0.0001544500000000 ] - [ 0.0000245700000000, 0.0000527100000000, -0.0000606700000000 ] - [ 0.0000048400000000, 0.0000949400000000, -0.0001111600000000 ] - [ -0.0000656700000000, 0.0000627000000000, 0.0000740000000000 ] - [ 0.0000430000000000, 0.0001119000000000, -0.0006770500000000 ] - [ -0.0001072900000000, 0.0000068900000000, -0.0002860000000000 ] - [ -0.0007230300000000, -0.0005613900000000, 0.0004189800000000 ] - [ -0.0000613000000000, 0.0000651500000000, 0.0000579900000000 ] - [ 0.0000084900000000, -0.0001398100000000, 0.0003305300000000 ] - [ -0.0000783200000000, -0.0000361800000000, 0.0001396600000000 ] - [ 0.0000792300000000, -0.0000282500000000, -0.0002592900000000 ] - [ 0.0000160200000000, -0.0000461700000000, -0.0001510100000000 ] - [ 0.0001235800000000, 0.0002072000000000, -0.0005753200000000 ] - [ 0.0000059500000000, 0.0000453300000000, 0.0000106000000000 ] - [ -0.0004600600000000, -0.0000398100000000, 0.0008350000000000 ] - [ 0.0006301400000000, 0.0000935600000000, 0.0001836200000000 ] - [ 0.0268891900000000, 0.0039196000000000, 0.0271956500000000 ] - [ -0.0000473600000000, 0.0002138000000000, 0.0001523900000000 ] - [ 0.0000510900000000, 0.0011889200000000, 0.0001611100000000 ] - [ 0.0005153700000000, -0.0000820700000000, 0.0000255700000000 ] - [ -0.0002283600000000, -0.0000007300000000, -0.0002610300000000 ] - [ -0.0010830400000000, 0.0000376200000000, -0.0003204100000000 ] - [ -0.0007709900000000, -0.0002472200000000, 0.0000315300000000 ] - [ -0.0004768300000000, -0.0001241900000000, 0.0000992100000000 ] - [ -0.0004769700000000, 0.0001260200000000, 0.0001534100000000 ] - [ -0.0006007700000000, 0.0001084600000000, 0.0000337500000000 ] - [ 0.0006462900000000, 0.0001715900000000, -0.0001401400000000 ] - [ 0.0004839200000000, 0.0001062600000000, -0.0000209600000000 ] - [ 0.0006393300000000, -0.0001492800000000, -0.0001553900000000 ] - [ 0.0004624800000000, -0.0001323000000000, -0.0000886500000000 ] - [ 0.0000793000000000, -0.0001791700000000, 0.0005051600000000 ] - [ 0.0000709200000000, -0.0001279200000000, 0.0004852000000000 ] - [ -0.0002698100000000, -0.0004187600000000, -0.0004390600000000 ] - [ 0.0001258200000000, 0.0000518900000000, -0.0004000900000000 ] - [ 0.0002904100000000, -0.0004594300000000, -0.0001291400000000 ] - [ -0.0001586000000000, 0.0000690000000000, 0.0003977100000000 ] - [ -0.0000020900000000, -0.0001404200000000, -0.0004495200000000 ] - [ -0.0001402800000000, -0.0001493200000000, -0.0004803700000000 ] - [ -0.0002498700000000, 0.0004426100000000, -0.0006470500000000 ] - [ -0.0000628100000000, 0.0001360400000000, -0.0004335400000000 ] - [ -0.0073318900000000, 0.0023362000000000, -0.0068470000000000 ] - [ -0.0000898000000000, -0.0001324400000000, 0.0005105500000000 ] - [ 0.0017028000000000, -0.0000227300000000, -0.0024588100000000 ] - [ -0.0000722400000000, -0.0001226800000000, -0.0004798800000000 ] - [ 0.0002040500000000, 0.0003320500000000, 0.0003111200000000 ] - [ 0.0000308200000000, 0.0001380600000000, 0.0004039700000000 ] - [ 0.0000082100000000, -0.0001652500000000, -0.0006755000000000 ] - [ 0.0000119400000000, -0.0002473000000000, -0.0003781900000000 ] - [ -0.0000056600000000, 0.0002036700000000, 0.0001151100000000 ] - [ 0.0000031300000000, 0.0002444900000000, 0.0002256700000000 ] - [ 0.0000630500000000, 0.0001694900000000, -0.0000934700000000 ] - [ -0.0000434000000000, 0.0002231800000000, -0.0002669200000000 ] - [ 0.0000068300000000, -0.0003605100000000, 0.0007855300000000 ] - [ -0.0001087500000000, -0.0002102900000000, 0.0004683800000000 ] - [ -0.0003753300000000, 0.0002730500000000, -0.0006660000000000 ] - [ 0.0000044900000000, 0.0002377000000000, 0.0000334600000000 ] - [ -0.0000681800000000, -0.0005717700000000, -0.0011093700000000 ] - [ -0.0000356400000000, -0.0002612700000000, -0.0003652100000000 ] - [ 0.0003550200000000, -0.0006305700000000, 0.0014313500000000 ] - [ -0.0000527300000000, -0.0002864500000000, 0.0004477600000000 ] - [ 0.0070809200000000, 0.0028363200000000, -0.0005696800000000 ] - [ -0.0000888600000000, 0.0002413400000000, -0.0001664200000000 ] - [ 0.0000812900000000, -0.0003137100000000, -0.0003156800000000 ] - [ -0.0000257700000000, -0.0002172800000000, 0.0000599400000000 ] - [ 0.0000740200000000, 0.0002332900000000, -0.0001580400000000 ] - [ 0.0000362000000000, 0.0002267000000000, -0.0001714000000000 ] - [ -0.0000587400000000, 0.0002235100000000, 0.0001927000000000 ] - [ -0.0000956300000000, 0.0002229000000000, 0.0001504600000000 ] - [ -0.0001978600000000, -0.0010730500000000, 0.0004250800000000 ] - [ -0.0000929600000000, -0.0002251200000000, -0.0000680100000000 ] - [ 0.0000315200000000, 0.0001795600000000, -0.0015940200000000 ] - [ -0.0001189800000000, 0.0002199900000000, -0.0001770700000000 ] - [ 0.0000576100000000, -0.0001785600000000, -0.0001216500000000 ] - [ -0.0000764700000000, -0.0002054300000000, 0.0000253900000000 ] - [ -0.0001390000000000, -0.0000802100000000, 0.0001097700000000 ] - [ 0.0000574700000000, -0.0001480300000000, 0.0001111100000000 ] - [ -0.0003051800000000, 0.0002689100000000, -0.0004355200000000 ] - [ -0.0005996300000000, -0.0000957400000000, -0.0000206200000000 ] - [ -0.0000641800000000, -0.0000337600000000, 0.0004080200000000 ] - [ -0.0001165200000000, -0.0001413400000000, 0.0001613300000000 ] - [ -0.0001206700000000, 0.0001087600000000, 0.0000681500000000 ] - [ -0.0001024200000000, 0.0001442400000000, -0.0000443600000000 ] - [ 0.0000701000000000, 0.0001547700000000, -0.0000984000000000 ] - [ 0.0001672200000000, 0.0001360000000000, 0.0000222700000000 ] - [ -0.0002878600000000, 0.0002166500000000, -0.0004137500000000 ] - [ 0.0002250600000000, -0.0001256800000000, -0.0001214300000000 ] - [ 0.0003117700000000, 0.0005799300000000, 0.0017291500000000 ] - [ 0.0001091500000000, 0.0001449400000000, -0.0000076800000000 ] - [ 0.0002041200000000, -0.0002741800000000, 0.0004394500000000 ] - [ 0.0001129900000000, -0.0001401000000000, 0.0001595900000000 ] - [ -0.0004764100000000, -0.0008933000000000, -0.0009369400000000 ] - [ -0.0000145100000000, -0.0001680500000000, -0.0001027500000000 ] - [ 0.0019818800000000, -0.0002628000000000, -0.0024404500000000 ] - [ 0.0000685300000000, 0.0001562900000000, -0.0000995700000000 ] - [ -0.0010653200000000, 0.0000976200000000, 0.0012900800000000 ] - [ -0.0005202500000000, -0.0001312000000000, 0.0000821500000000 ] - [ 0.0015257500000000, 0.0012426800000000, -0.0006407900000000 ] - [ 0.0007180900000000, -0.0001385700000000, -0.0001744000000000 ] - [ 0.0006134500000000, 0.0001720800000000, -0.0006367800000000 ] - [ 0.0008279800000000, 0.0001705200000000, -0.0002985200000000 ] - [ 0.0002379200000000, -0.0007380600000000, 0.0013486100000000 ] - [ 0.0008447500000000, -0.0002320400000000, 0.0000391100000000 ] - [ 0.0004710700000000, -0.0020124400000000, -0.0013423600000000 ] - [ -0.0007280400000000, -0.0002830300000000, -0.0001564200000000 ] - [ -0.0000832800000000, 0.0007002100000000, 0.0034465700000000 ] - [ 0.0012423400000000, 0.0001912300000000, 0.0006631900000000 ] - [ -0.0267767600000000, -0.0032480300000000, -0.0218041600000000 ] - [ -0.0005622500000000, 0.0001792600000000, -0.0004703500000000 ] - [ -0.0008962400000000, 0.0000770000000000, 0.0005245900000000 ] - [ -0.0005756100000000, 0.0001280100000000, 0.0003261000000000 ] - [ -0.0003725700000000, -0.0013550100000000, 0.0001948600000000 ] - [ 0.0000894600000000, 0.0000225500000000, -0.0000083700000000 ] - [ -0.0000546600000000, -0.0000668500000000, -0.0000077900000000 ] - [ 0.0000775100000000, -0.0000530000000000, 0.0000532700000000 ] - [ 0.0003283600000000, -0.0001228500000000, 0.0003283400000000 ] - [ 0.0000372700000000, -0.0000534700000000, 0.0000242100000000 ] - [ 0.0005942100000000, -0.0005130200000000, 0.0000047200000000 ] - [ -0.0001940200000000, -0.0000904400000000, -0.0001020500000000 ] - [ -0.0000637100000000, -0.0001930900000000, 0.0000662600000000 ] - [ 0.0000350800000000, -0.0000518300000000, 0.0000076000000000 ] - [ -0.0006175300000000, 0.0002348800000000, 0.0002623500000000 ] - [ 0.0004762800000000, 0.0000462500000000, 0.0001857300000000 ] - [ -0.0002788100000000, 0.0006742500000000, 0.0001542500000000 ] - [ 0.0000759000000000, 0.0000632200000000, -0.0000142400000000 ] - [ 0.0003686400000000, 0.0003565900000000, 0.0001562400000000 ] - [ -0.0000968200000000, 0.0001127800000000, -0.0000699100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006391700000000, -0.0001927600000000, -0.0000997200000000 ] - [ 0.0002634600000000, -0.0005068500000000, -0.0001205400000000 ] - [ 0.0000957700000000, 0.0006357600000000, 0.0002306000000000 ] - [ 0.0000398400000000, 0.0002649500000000, 0.0000076900000000 ] - [ -0.0002599100000000, 0.0004589900000000, -0.0000980900000000 ] - [ 0.0001463600000000, 0.0004331800000000, -0.0001094400000000 ] - [ 0.0002926500000000, 0.0001541100000000, -0.0002220600000000 ] - [ 0.0002139100000000, -0.0008047600000000, 0.0003281300000000 ] - [ 0.0001854000000000, 0.0002138700000000, 0.0003689000000000 ] - [ 0.0001416400000000, 0.0006733800000000, -0.0000340600000000 ] - [ -0.0027049600000000, -0.0004358600000000, -0.0003522100000000 ] - [ 0.0002374700000000, -0.0004191400000000, -0.0001156400000000 ] - [ 0.0003736800000000, -0.0009167600000000, 0.0000471100000000 ] - [ 0.0003302900000000, 0.0001498400000000, 0.0002800800000000 ] - [ -0.0003735000000000, 0.0003952800000000, -0.0001156000000000 ] - [ 0.0002558000000000, 0.0004910800000000, -0.0000979100000000 ] - [ -0.0001901100000000, -0.0000520800000000, 0.0000820600000000 ] - [ 0.0002034600000000, -0.0000639600000000, 0.0001112500000000 ] - [ 0.0003628400000000, 0.0004723500000000, 0.0003429800000000 ] - [ 0.0003228400000000, -0.0002526600000000, -0.0003918900000000 ] - [ -0.0007388800000000, 0.0002493400000000, -0.0001428800000000 ] - [ 0.0002161800000000, -0.0000198600000000, 0.0001382900000000 ] - [ 0.0000080900000000, -0.0000710600000000, -0.0001440100000000 ] - [ -0.0000284500000000, -0.0000150200000000, -0.0000613300000000 ] - [ 0.0000412400000000, -0.0000850000000000, -0.0000679400000000 ] - [ -0.0000512900000000, 0.0001709100000000, -0.0001473600000000 ] - [ -0.0023123400000000, 0.0015490000000000, 0.0035263500000000 ] - [ 0.0002326300000000, -0.0000166700000000, 0.0000857500000000 ] - [ 0.0003298300000000, 0.0001444200000000, -0.0005337600000000 ] - [ 0.0004184600000000, -0.0003772800000000, 0.0002633400000000 ] - [ -0.0001614500000000, 0.0000478400000000, 0.0001232300000000 ] - [ 0.0001999500000000, 0.0000713100000000, 0.0001014500000000 ] - [ 0.0000841100000000, -0.0001017200000000, -0.0001655300000000 ] - [ 0.0008339900000000, 0.0001426600000000, 0.0000448000000000 ] - [ -0.0002434000000000, 0.0002418800000000, 0.0001133600000000 ] - [ 0.0002805300000000, 0.0002124400000000, 0.0001221900000000 ] - [ 0.0004290900000000, 0.0000893500000000, 0.0001803900000000 ] - [ 0.0008381000000000, -0.0001983200000000, -0.0000971200000000 ] - [ -0.0002814600000000, 0.0001533200000000, -0.0000149700000000 ] - [ -0.0006436800000000, -0.0001242200000000, 0.0001336400000000 ] - [ -0.0002543200000000, -0.0001516900000000, 0.0000658900000000 ] - [ -0.0007299700000000, 0.0000933100000000, -0.0001131300000000 ] - [ 0.0055631500000000, -0.0039757400000000, 0.0061160900000000 ] - [ 0.0000200400000000, 0.0001198300000000, -0.0000980400000000 ] - [ 0.0024435000000000, -0.0004863500000000, -0.0014708500000000 ] - [ 0.0012359900000000, 0.0002479800000000, 0.0000898700000000 ] - [ 0.0001774700000000, 0.0000384000000000, 0.0000276200000000 ] - [ 0.0008422600000000, -0.0001499200000000, 0.0000211000000000 ] - [ -0.0261743300000000, 0.0082694400000000, -0.0182121700000000 ] - [ 0.0004242500000000, -0.0001257600000000, 0.0004711700000000 ] - [ 0.0001139400000000, -0.0000013400000000, -0.0003591000000000 ] - [ 0.0001148200000000, 0.0002243200000000, -0.0005018600000000 ] - [ -0.0002978800000000, 0.0001175100000000, 0.0004944800000000 ] - [ 0.0000809000000000, 0.0001186700000000, 0.0004503900000000 ] - [ 0.0005719200000000, -0.0001518800000000, -0.0007046900000000 ] - [ 0.0016335900000000, 0.0000273900000000, 0.0003713900000000 ] - [ 0.0000077800000000, 0.0001649800000000, -0.0003288500000000 ] - [ -0.0000403400000000, 0.0000376300000000, -0.0005332300000000 ] - [ -0.0003761000000000, -0.0001411400000000, 0.0004682000000000 ] - [ 0.0000978900000000, -0.0001046900000000, 0.0004344500000000 ] - [ 0.0001426100000000, -0.0000727100000000, -0.0004681100000000 ] - [ 0.0001429000000000, -0.0001838100000000, -0.0004659900000000 ] - [ -0.0002559500000000, 0.0001327300000000, 0.0005304600000000 ] - [ 0.0002971600000000, 0.0001170500000000, 0.0004736100000000 ] - [ -0.0005981800000000, -0.0001327000000000, -0.0002158200000000 ] - [ 0.0002546400000000, -0.0002362800000000, -0.0003020100000000 ] - [ 0.0002128300000000, 0.0000950100000000, -0.0001473900000000 ] - [ 0.0002844800000000, 0.0004151600000000, 0.0006819100000000 ] - [ -0.0011713400000000, 0.0000537200000000, 0.0002677100000000 ] - [ 0.0002431800000000, 0.0002597100000000, -0.0003030900000000 ] - [ 0.0002727400000000, -0.0006286500000000, 0.0004731800000000 ] - [ 0.0001796800000000, 0.0001864000000000, 0.0000564600000000 ] - [ 0.0000289300000000, 0.0003155500000000, 0.0001653600000000 ] - [ -0.0000083900000000, 0.0001831600000000, 0.0004181600000000 ] - [ -0.0007741800000000, -0.0001317200000000, -0.0004301700000000 ] - [ 0.0002407700000000, -0.0002772100000000, -0.0002705800000000 ] - [ 0.0003809900000000, 0.0000557900000000, 0.0007709600000000 ] - [ 0.0002545900000000, -0.0004080900000000, 0.0000272300000000 ] - [ -0.0002106400000000, 0.0002818500000000, -0.0002845400000000 ] - [ 0.0001858900000000, 0.0002412100000000, -0.0002996900000000 ] - [ -0.0003515800000000, -0.0002793500000000, -0.0000126400000000 ] - [ 0.0003337800000000, -0.0001810900000000, 0.0001686400000000 ] - [ 0.0005383900000000, 0.0002029300000000, -0.0002647700000000 ] - [ 0.0009206200000000, 0.0005393700000000, 0.0014952100000000 ] - [ 0.0010660000000000, 0.0018923400000000, -0.0070433000000000 ] - [ 0.0004980600000000, 0.0001916600000000, 0.0001018600000000 ] - [ -0.0001231500000000, -0.0004659300000000, 0.0000502900000000 ] - [ 0.0002275200000000, -0.0001352600000000, -0.0001292000000000 ] - [ -0.0002169300000000, 0.0002857500000000, -0.0001904600000000 ] - [ 0.0001772600000000, 0.0001692600000000, -0.0000521300000000 ] - [ -0.0006634400000000, -0.0004055600000000, 0.0004831200000000 ] - [ 0.0003340000000000, -0.0001739200000000, 0.0000330700000000 ] - [ 0.0004263100000000, -0.0001734500000000, -0.0000669800000000 ] - [ -0.0001051000000000, -0.0004812600000000, -0.0004627900000000 ] - [ -0.0008786100000000, -0.0000292200000000, -0.0000271800000000 ] - [ -0.0002503100000000, -0.0001345900000000, 0.0000068200000000 ] - [ -0.0001743000000000, 0.0000317500000000, 0.0001678900000000 ] - [ -0.0001733900000000, -0.0003613900000000, -0.0000607800000000 ] - [ 0.0023584000000000, -0.0006914000000000, -0.0019491100000000 ] - [ -0.0005828500000000, 0.0001533300000000, -0.0001086500000000 ] - [ -0.0011627700000000, 0.0001717100000000, -0.0003296000000000 ] - [ -0.0011205800000000, -0.0001790000000000, 0.0005789400000000 ] - [ 0.0005903700000000, -0.0000779600000000, -0.0001459000000000 ] - [ -0.0001464900000000, -0.0001493500000000, -0.0000497000000000 ] - [ 0.0004779800000000, 0.0001525600000000, -0.0000916700000000 ] - [ -0.0001204100000000, 0.0001461800000000, -0.0000509200000000 ] - [ 0.0000054400000000, -0.0003001900000000, 0.0002330000000000 ] - [ 0.0000495900000000, 0.0000453700000000, -0.0001035800000000 ] - [ 0.0005196100000000, -0.0004255900000000, -0.0001588700000000 ] - [ -0.0004307200000000, -0.0001402800000000, -0.0000898500000000 ] - [ -0.0001809900000000, 0.0000196100000000, 0.0000217600000000 ] - [ -0.0001837700000000, 0.0002761400000000, 0.0001373200000000 ] - [ 0.0004866100000000, -0.0002305500000000, -0.0001961800000000 ] - [ -0.0014948200000000, -0.0002128900000000, -0.0002050200000000 ] - [ 0.0002187800000000, 0.0005539500000000, -0.0003750200000000 ] - [ 0.0004313000000000, -0.0008728200000000, 0.0005592000000000 ] - [ 0.0197191000000000, -0.0073077100000000, 0.0175733000000000 ] - [ -0.0006029400000000, 0.0001789900000000, -0.0000530700000000 ] - [ 0.0023376900000000, -0.0002589400000000, -0.0002425300000000 ] - [ -0.0002049000000000, -0.0001304600000000, -0.0001430300000000 ] - [ -0.0012413100000000, -0.0008061600000000, -0.0006134400000000 ] - [ -0.0011115400000000, 0.0004918100000000, 0.0008224200000000 ] - [ 0.0004973800000000, -0.0003130100000000, 0.0004398200000000 ] - [ 0.0004476700000000, 0.0006246300000000, -0.0001405800000000 ] - [ 0.0004766200000000, 0.0001006000000000, -0.0000771600000000 ] - [ -0.0014210500000000, 0.0001985600000000, -0.0001754200000000 ] - [ -0.0028350000000000, 0.0005242000000000, 0.0014415100000000 ] - [ -0.0033205800000000, -0.0007189000000000, -0.0018893500000000 ] - [ 0.0002316900000000, 0.0008729200000000, 0.0001938300000000 ] - [ -0.0003317300000000, -0.0001104500000000, 0.0000155000000000 ] - [ 0.0003892500000000, -0.0000681800000000, 0.0001785700000000 ] - [ -0.0003425800000000, -0.0000452600000000, 0.0000195600000000 ] - [ 0.0001779500000000, -0.0000868400000000, -0.0000186500000000 ] - [ -0.0001787000000000, -0.0000216600000000, -0.0000051900000000 ] - [ 0.0003067300000000, -0.0003674700000000, 0.0000305400000000 ] - [ -0.0003127100000000, 0.0001368800000000, 0.0000036800000000 ] - [ 0.0002575900000000, -0.0000610700000000, -0.0002322800000000 ] - [ -0.0003465400000000, -0.0000323900000000, -0.0000188700000000 ] - [ 0.0001971900000000, -0.0000611800000000, 0.0000031600000000 ] - [ -0.0001968800000000, -0.0000417900000000, -0.0000186200000000 ] - [ 0.0021556900000000, 0.0001873100000000, 0.0002255400000000 ] - [ -0.0006030100000000, 0.0002473400000000, 0.0000274100000000 ] - [ 0.0007955700000000, 0.0010136500000000, -0.0001142100000000 ] - [ -0.0005467400000000, -0.0000746600000000, 0.0000287500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006922200000000, -0.0007120200000000, -0.0001161200000000 ] - [ -0.0002146400000000, -0.0003959900000000, -0.0000987300000000 ] - [ -0.0000680800000000, 0.0002933000000000, 0.0000078300000000 ] - [ 0.0000095600000000, 0.0006405100000000, 0.0002118000000000 ] - [ 0.0002309100000000, 0.0004699900000000, -0.0001405400000000 ] - [ -0.0001952400000000, 0.0004732300000000, -0.0001113000000000 ] - [ -0.0003399200000000, -0.0010510200000000, 0.0004382200000000 ] - [ -0.0002683100000000, -0.0000993500000000, -0.0001091700000000 ] - [ -0.0002355500000000, 0.0006901500000000, -0.0001484100000000 ] - [ -0.0001885700000000, 0.0002317000000000, 0.0002547100000000 ] - [ 0.0026545100000000, -0.0004290500000000, 0.0001131100000000 ] - [ -0.0002863900000000, -0.0004865500000000, -0.0001040300000000 ] - [ -0.0003240400000000, 0.0000092700000000, 0.0001737000000000 ] - [ -0.0002813300000000, -0.0010613700000000, -0.0000599700000000 ] - [ 0.0004217300000000, 0.0005089900000000, -0.0001053300000000 ] - [ -0.0002061700000000, 0.0004131300000000, -0.0001230900000000 ] - [ 0.0002689800000000, -0.0000384900000000, 0.0001300300000000 ] - [ -0.0001235100000000, -0.0000277900000000, 0.0001018600000000 ] - [ -0.0002835700000000, -0.0003774100000000, -0.0005532600000000 ] - [ -0.0002418000000000, 0.0003467500000000, 0.0001826400000000 ] - [ 0.0006592200000000, -0.0001560700000000, 0.0003541800000000 ] - [ -0.0002976700000000, 0.0001129700000000, 0.0000743000000000 ] - [ -0.0000883700000000, -0.0000228400000000, -0.0000687100000000 ] - [ -0.0000501300000000, -0.0000769300000000, -0.0001520300000000 ] - [ -0.0001214400000000, 0.0001744600000000, -0.0001458400000000 ] - [ -0.0000272000000000, -0.0000798000000000, -0.0000659100000000 ] - [ 0.0022041600000000, -0.0016589400000000, -0.0033383100000000 ] - [ -0.0003137300000000, -0.0000752700000000, 0.0001279200000000 ] - [ -0.0002483000000000, -0.0002353900000000, 0.0003174000000000 ] - [ -0.0003415400000000, 0.0002873200000000, -0.0004821200000000 ] - [ 0.0002408800000000, 0.0000431000000000, 0.0000911600000000 ] - [ -0.0001202500000000, 0.0000187200000000, 0.0001126200000000 ] - [ 0.0010102600000000, 0.0003035500000000, 0.0001804600000000 ] - [ 0.0002586200000000, 0.0000567700000000, -0.0000328400000000 ] - [ 0.0003205300000000, 0.0001948300000000, 0.0001268500000000 ] - [ -0.0002099700000000, 0.0002248000000000, 0.0000942500000000 ] - [ 0.0006538000000000, -0.0002767000000000, -0.0001850700000000 ] - [ 0.0002554500000000, -0.0000001600000000, 0.0000844200000000 ] - [ -0.0008139700000000, 0.0000471500000000, 0.0000013600000000 ] - [ -0.0004471300000000, 0.0003275000000000, -0.0001473000000000 ] - [ -0.0008400000000000, -0.0000481800000000, -0.0000780900000000 ] - [ -0.0003603700000000, -0.0002917200000000, 0.0001001600000000 ] - [ -0.0065752900000000, 0.0041028300000000, -0.0059964400000000 ] - [ -0.0011140300000000, 0.0000794700000000, 0.0001111000000000 ] - [ -0.0013346500000000, 0.0006787900000000, 0.0014442800000000 ] - [ -0.0001468100000000, -0.0000488000000000, -0.0001029000000000 ] - [ 0.0009188300000000, -0.0002386700000000, -0.0000153600000000 ] - [ 0.0002511100000000, -0.0000510800000000, -0.0000086000000000 ] - [ 0.0265047300000000, -0.0087204100000000, 0.0192937400000000 ] - [ -0.0002517900000000, -0.0001057300000000, 0.0004365000000000 ] - [ 0.0000451200000000, 0.0002151200000000, -0.0005389100000000 ] - [ 0.0000557700000000, 0.0000058700000000, -0.0004034800000000 ] - [ 0.0001377000000000, 0.0000974500000000, 0.0004027300000000 ] - [ -0.0002501300000000, 0.0001112900000000, 0.0004533700000000 ] - [ -0.0007400800000000, -0.0000808900000000, -0.0002023900000000 ] - [ -0.0018237100000000, -0.0002655200000000, -0.0012796000000000 ] - [ -0.0001800900000000, 0.0000678000000000, -0.0005790700000000 ] - [ -0.0001280600000000, 0.0001931300000000, -0.0003738800000000 ] - [ 0.0002064400000000, -0.0000893600000000, 0.0004396800000000 ] - [ -0.0002679100000000, -0.0001261300000000, 0.0004706300000000 ] - [ 0.0000259900000000, -0.0001581400000000, -0.0004376900000000 ] - [ 0.0000277800000000, -0.0000468300000000, -0.0004400100000000 ] - [ 0.0004258700000000, 0.0000985200000000, 0.0003727200000000 ] - [ -0.0001267600000000, 0.0001146700000000, 0.0004325400000000 ] - [ 0.0006330500000000, -0.0003576400000000, -0.0003728200000000 ] - [ -0.0002200900000000, -0.0002577900000000, -0.0002910200000000 ] - [ -0.0001800100000000, 0.0003995200000000, 0.0007393600000000 ] - [ -0.0002509600000000, 0.0000777900000000, -0.0000934200000000 ] - [ 0.0011340400000000, 0.0004442500000000, -0.0008774600000000 ] - [ -0.0002763600000000, 0.0002326600000000, -0.0002908900000000 ] - [ -0.0003081500000000, 0.0001364500000000, 0.0001198700000000 ] - [ -0.0002125700000000, -0.0006790300000000, 0.0005376900000000 ] - [ -0.0000863600000000, 0.0001833000000000, 0.0003958700000000 ] - [ -0.0000265400000000, 0.0003107700000000, 0.0001749900000000 ] - [ 0.0007467000000000, -0.0003548500000000, -0.0001666800000000 ] - [ -0.0002747600000000, -0.0002164200000000, -0.0003247000000000 ] - [ -0.0003459200000000, -0.0005468700000000, -0.0001694400000000 ] - [ -0.0002273300000000, -0.0000772800000000, 0.0005676500000000 ] - [ 0.0002682600000000, 0.0002148900000000, -0.0002787800000000 ] - [ -0.0001505100000000, 0.0002504300000000, -0.0002923700000000 ] - [ 0.0004186300000000, -0.0001576200000000, 0.0002285200000000 ] - [ -0.0002636400000000, -0.0002572400000000, 0.0000463800000000 ] - [ -0.0004681800000000, 0.0002350700000000, 0.0000498900000000 ] - [ -0.0008523000000000, -0.0001067900000000, -0.0017276200000000 ] - [ -0.0011195000000000, -0.0014751300000000, 0.0073291400000000 ] - [ -0.0005679300000000, 0.0002460600000000, 0.0001131100000000 ] - [ 0.0000492800000000, 0.0000291300000000, -0.0002674300000000 ] - [ -0.0002964100000000, -0.0003021500000000, -0.0000860700000000 ] - [ 0.0001366600000000, 0.0001525600000000, -0.0000499300000000 ] - [ -0.0002461400000000, 0.0002674900000000, -0.0001634200000000 ] - [ 0.0005927500000000, -0.0000294300000000, -0.0002755900000000 ] - [ -0.0004050100000000, -0.0002632600000000, 0.0001819000000000 ] - [ -0.0003583200000000, -0.0002624200000000, -0.0001473900000000 ] - [ 0.0001831100000000, 0.0000440900000000, 0.0002530600000000 ] - [ -0.0002090200000000, -0.0001572200000000, 0.0000317700000000 ] - [ -0.0008423500000000, -0.0000648900000000, 0.0000051400000000 ] - [ -0.0000615600000000, -0.0003125100000000, -0.0000224400000000 ] - [ -0.0000687600000000, 0.0000737700000000, 0.0002018900000000 ] - [ -0.0026285800000000, 0.0010042200000000, 0.0018469200000000 ] - [ 0.0003438300000000, 0.0001376200000000, -0.0000300100000000 ] - [ 0.0014028000000000, 0.0001206500000000, 0.0004676200000000 ] - [ 0.0013590300000000, 0.0004726000000000, -0.0004467000000000 ] - [ -0.0003516900000000, -0.0002091000000000, 0.0000069500000000 ] - [ 0.0003872000000000, -0.0001410200000000, -0.0000907900000000 ] - [ -0.0002439700000000, 0.0001385500000000, -0.0000351300000000 ] - [ 0.0003611100000000, 0.0001435200000000, -0.0000886900000000 ] - [ 0.0002414100000000, -0.0000019800000000, -0.0000859500000000 ] - [ 0.0001874700000000, -0.0003385600000000, 0.0002418800000000 ] - [ -0.0007664300000000, 0.0001285100000000, 0.0000184800000000 ] - [ 0.0001911600000000, -0.0001524800000000, -0.0000499900000000 ] - [ -0.0000507500000000, 0.0002705400000000, 0.0001037700000000 ] - [ -0.0000601200000000, 0.0000173600000000, 0.0000033000000000 ] - [ -0.0018701300000000, -0.0001225800000000, -0.0000994200000000 ] - [ 0.0001135800000000, -0.0001443200000000, -0.0000958100000000 ] - [ 0.0011689700000000, -0.0009043900000000, 0.0006690500000000 ] - [ 0.0009439200000000, 0.0005135600000000, -0.0002574500000000 ] - [ -0.0185976300000000, 0.0078018400000000, -0.0181733800000000 ] - [ 0.0019843300000000, 0.0001819400000000, -0.0002532700000000 ] - [ -0.0009635600000000, -0.0001272200000000, -0.0000506300000000 ] - [ 0.0015869400000000, -0.0002315200000000, -0.0001591800000000 ] - [ -0.0001254800000000, 0.0004253700000000, 0.0009031300000000 ] - [ -0.0002774900000000, -0.0008583200000000, -0.0005138200000000 ] - [ 0.0008984000000000, 0.0006725600000000, -0.0001124200000000 ] - [ 0.0009296600000000, -0.0002587800000000, 0.0004412500000000 ] - [ -0.0018694300000000, 0.0002686700000000, -0.0002496500000000 ] - [ 0.0000400600000000, 0.0001610000000000, -0.0001277700000000 ] - [ 0.0014491700000000, -0.0001621800000000, -0.0011327600000000 ] - [ 0.0019554600000000, 0.0010903400000000, 0.0022078400000000 ] - [ -0.0002262300000000, -0.0007747200000000, -0.0001961900000000 ] - [ 0.0003313000000000, 0.0002074900000000, -0.0000160600000000 ] - [ -0.0003925000000000, -0.0000278800000000, -0.0001735900000000 ] - [ 0.0003432400000000, -0.0000513400000000, -0.0000191600000000 ] - [ -0.0001780800000000, -0.0000375600000000, 0.0000192900000000 ] - [ 0.0001778700000000, -0.0000732800000000, 0.0000051300000000 ] - [ -0.0003116600000000, 0.0004617000000000, -0.0000339900000000 ] - [ 0.0003140100000000, -0.0000423500000000, -0.0000038700000000 ] - [ -0.0002538800000000, -0.0000374300000000, 0.0002358300000000 ] - [ 0.0003460000000000, -0.0000613600000000, 0.0000199600000000 ] - [ -0.0002213700000000, -0.0000273800000000, -0.0000020300000000 ] - [ 0.0002202600000000, -0.0000469700000000, 0.0000186300000000 ] - [ -0.0020736300000000, -0.0000214600000000, -0.0002339200000000 ] - [ 0.0006017700000000, -0.0001567100000000, -0.0000285100000000 ] - [ -0.0008101800000000, -0.0008963000000000, 0.0001098000000000 ] - [ 0.0005463800000000, 0.0001689200000000, -0.0000292000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000889600000000, 0.0008452000000000, 0.0004119600000000 ] - [ 0.0000070000000000, -0.0003452700000000, -0.0000698400000000 ] - [ 0.0000973600000000, 0.0006560400000000, 0.0002275200000000 ] - [ -0.0000228500000000, 0.0007011800000000, 0.0002500700000000 ] - [ -0.0000436400000000, 0.0009139600000000, -0.0003944100000000 ] - [ -0.0000355800000000, 0.0005229100000000, -0.0001455700000000 ] - [ 0.0003425700000000, 0.0002560400000000, -0.0002157800000000 ] - [ -0.0004787900000000, 0.0001053900000000, -0.0002508900000000 ] - [ -0.0002398200000000, 0.0003573100000000, -0.0001241100000000 ] - [ 0.0001919600000000, 0.0003500300000000, -0.0000361100000000 ] - [ -0.0002802000000000, 0.0070977500000000, -0.0049137700000000 ] - [ -0.0000410400000000, -0.0005244200000000, -0.0001084300000000 ] - [ -0.0002085800000000, -0.0006152500000000, 0.0002260600000000 ] - [ 0.0003489400000000, -0.0007564900000000, 0.0003047200000000 ] - [ -0.0000469500000000, 0.0001385100000000, 0.0001426900000000 ] - [ 0.0000186900000000, 0.0003981500000000, -0.0001082500000000 ] - [ 0.0000042800000000, 0.0010468600000000, 0.0001099200000000 ] - [ 0.0000156900000000, 0.0000861300000000, 0.0001244900000000 ] - [ 0.0001000300000000, -0.0004390100000000, -0.0000102000000000 ] - [ 0.0000110800000000, -0.0004118000000000, -0.0000568700000000 ] - [ 0.0001585400000000, -0.0001782100000000, -0.0010351900000000 ] - [ -0.0000449100000000, -0.0000441700000000, 0.0000850800000000 ] - [ -0.0000736200000000, 0.0002061000000000, -0.0001089900000000 ] - [ 0.0000670300000000, 0.0003467800000000, -0.0000971800000000 ] - [ -0.0001776600000000, 0.0003491100000000, -0.0001076500000000 ] - [ 0.0000514900000000, 0.0003907200000000, -0.0001272200000000 ] - [ 0.0014650200000000, -0.0024189200000000, 0.0057997800000000 ] - [ -0.0000679800000000, -0.0001892600000000, 0.0001186700000000 ] - [ 0.0002630200000000, -0.0006965100000000, -0.0002559400000000 ] - [ -0.0000418900000000, -0.0004140400000000, -0.0001805800000000 ] - [ 0.0001066300000000, 0.0006588300000000, 0.0001911000000000 ] - [ 0.0000367800000000, 0.0001361900000000, 0.0000966500000000 ] - [ 0.0006346400000000, 0.0008015800000000, 0.0001907100000000 ] - [ 0.0005812700000000, 0.0002134700000000, 0.0000207500000000 ] - [ 0.0001065100000000, 0.0006350800000000, 0.0001726000000000 ] - [ 0.0000079500000000, 0.0003201400000000, 0.0001198400000000 ] - [ 0.0007546100000000, -0.0000815200000000, 0.0001418600000000 ] - [ 0.0004275400000000, -0.0001284500000000, 0.0000734200000000 ] - [ -0.0004621300000000, 0.0002587200000000, -0.0000010800000000 ] - [ -0.0007024700000000, 0.0007308800000000, -0.0001633100000000 ] - [ -0.0007252600000000, -0.0000728800000000, -0.0000727000000000 ] - [ -0.0000393900000000, 0.0001214600000000, -0.0002776400000000 ] - [ -0.0061136600000000, -0.0011192800000000, -0.0026298700000000 ] - [ -0.0004612500000000, -0.0000170000000000, 0.0000339900000000 ] - [ -0.0005226200000000, -0.0006963600000000, 0.0005450300000000 ] - [ 0.0005721000000000, -0.0000608100000000, -0.0000237200000000 ] - [ 0.0008061200000000, -0.0000313800000000, 0.0001849600000000 ] - [ 0.0004778200000000, -0.0000866200000000, -0.0000013600000000 ] - [ 0.0084916800000000, -0.0378188900000000, 0.0382813600000000 ] - [ 0.0000749000000000, -0.0002468700000000, 0.0005173400000000 ] - [ -0.0000237100000000, 0.0002620600000000, -0.0006004400000000 ] - [ 0.0002014800000000, 0.0002624500000000, -0.0005844900000000 ] - [ -0.0000833000000000, 0.0003241100000000, 0.0003900300000000 ] - [ -0.0000815100000000, 0.0001564800000000, 0.0004391800000000 ] - [ -0.0000498200000000, -0.0007492300000000, -0.0004798500000000 ] - [ -0.0002271800000000, -0.0009220200000000, -0.0004864000000000 ] - [ -0.0000365900000000, 0.0000141200000000, -0.0004239400000000 ] - [ -0.0001621500000000, -0.0000443100000000, -0.0003903300000000 ] - [ -0.0000576800000000, 0.0005918000000000, 0.0003367300000000 ] - [ -0.0000956900000000, -0.0000093100000000, 0.0004404200000000 ] - [ 0.0000162700000000, 0.0002766900000000, -0.0003224800000000 ] - [ 0.0001263100000000, 0.0002774200000000, -0.0003248400000000 ] - [ 0.0000671800000000, -0.0000345200000000, 0.0001979100000000 ] - [ 0.0000840600000000, 0.0000628400000000, 0.0004250300000000 ] - [ -0.0000591000000000, 0.0007738400000000, 0.0012470000000000 ] - [ 0.0000090800000000, -0.0002634100000000, -0.0002687800000000 ] - [ -0.0000799000000000, 0.0000753100000000, 0.0003697300000000 ] - [ 0.0000958100000000, 0.0000934300000000, 0.0002400400000000 ] - [ -0.0002623100000000, -0.0003952800000000, -0.0020735400000000 ] - [ -0.0000178200000000, 0.0001803800000000, -0.0002934100000000 ] - [ -0.0003691000000000, -0.0001067700000000, 0.0001657100000000 ] - [ 0.0004226200000000, -0.0000776400000000, 0.0001075100000000 ] - [ 0.0000334700000000, 0.0004005800000000, 0.0001929000000000 ] - [ -0.0000519600000000, 0.0004425000000000, 0.0001524900000000 ] - [ 0.0000796100000000, 0.0003091500000000, -0.0012577800000000 ] - [ -0.0000316900000000, -0.0002313900000000, -0.0003600000000000 ] - [ 0.0004411500000000, -0.0000299200000000, 0.0009284200000000 ] - [ -0.0004249300000000, -0.0001877200000000, 0.0008371600000000 ] - [ 0.0000035500000000, 0.0006299300000000, -0.0001423800000000 ] - [ 0.0000095000000000, 0.0003103900000000, -0.0002828900000000 ] - [ -0.0002443900000000, -0.0000722000000000, 0.0003231400000000 ] - [ 0.0000886200000000, -0.0001965800000000, 0.0001165800000000 ] - [ 0.0000204800000000, 0.0000826100000000, -0.0001147700000000 ] - [ 0.0002250900000000, -0.0005806200000000, -0.0000151200000000 ] - [ 0.0025365100000000, -0.0024846500000000, -0.0023464100000000 ] - [ -0.0001357400000000, 0.0001174400000000, 0.0001249400000000 ] - [ -0.0006186200000000, 0.0000427800000000, -0.0004222200000000 ] - [ 0.0001609600000000, -0.0001512200000000, -0.0001271300000000 ] - [ -0.0000321400000000, 0.0005224700000000, -0.0001327800000000 ] - [ -0.0001157100000000, 0.0003750600000000, -0.0001423100000000 ] - [ -0.0001558300000000, -0.0001509200000000, -0.0004739900000000 ] - [ 0.0000347200000000, -0.0002369800000000, 0.0000589800000000 ] - [ 0.0001561100000000, -0.0002734500000000, -0.0000431800000000 ] - [ -0.0004032300000000, -0.0002659700000000, 0.0004335600000000 ] - [ -0.0002783000000000, -0.0000150700000000, -0.0002771400000000 ] - [ -0.0006266000000000, -0.0001163000000000, -0.0000272000000000 ] - [ 0.0000576600000000, -0.0001835900000000, 0.0000326700000000 ] - [ -0.0002799400000000, -0.0002018500000000, 0.0000702600000000 ] - [ -0.0008324700000000, 0.0045651500000000, 0.0041793800000000 ] - [ -0.0001051500000000, 0.0002388700000000, -0.0000630100000000 ] - [ 0.0009150400000000, 0.0006461500000000, 0.0001327300000000 ] - [ -0.0005640900000000, 0.0005624600000000, -0.0000770700000000 ] - [ 0.0002405400000000, -0.0009112100000000, 0.0011191300000000 ] - [ 0.0001163200000000, -0.0001638500000000, -0.0000633000000000 ] - [ 0.0000903700000000, -0.0005499000000000, 0.0000144300000000 ] - [ 0.0001398500000000, 0.0000495500000000, -0.0000647000000000 ] - [ -0.0000616800000000, -0.0001300000000000, 0.0002149900000000 ] - [ 0.0003626700000000, -0.0001227000000000, 0.0002861800000000 ] - [ -0.0001389000000000, -0.0004100300000000, -0.0005926000000000 ] - [ -0.0001173500000000, -0.0001305300000000, -0.0000891600000000 ] - [ -0.0001752400000000, -0.0001892600000000, 0.0000271200000000 ] - [ -0.0000468500000000, -0.0002536700000000, -0.0000309500000000 ] - [ -0.0006129600000000, -0.0009354900000000, -0.0015366900000000 ] - [ -0.0006778100000000, -0.0002358600000000, -0.0001552700000000 ] - [ 0.0016408600000000, -0.0006208500000000, 0.0007001200000000 ] - [ -0.0002432800000000, -0.0007030800000000, 0.0006054900000000 ] - [ -0.0057200400000000, 0.0323165500000000, -0.0369858400000000 ] - [ 0.0007309200000000, 0.0005366000000000, -0.0002414800000000 ] - [ 0.0005016300000000, -0.0007884200000000, 0.0019197100000000 ] - [ 0.0007144600000000, -0.0001230400000000, -0.0000205600000000 ] - [ -0.0011874000000000, 0.0000661000000000, -0.0004949800000000 ] - [ -0.0000094500000000, 0.0001377900000000, -0.0006209200000000 ] - [ 0.0005303700000000, -0.0009728600000000, 0.0002072900000000 ] - [ 0.0009784800000000, -0.0012076500000000, 0.0003895400000000 ] - [ -0.0007560000000000, -0.0025365500000000, -0.0006099500000000 ] - [ -0.0006593400000000, -0.0001778200000000, -0.0001863900000000 ] - [ -0.0001231000000000, 0.0015899500000000, 0.0000077900000000 ] - [ -0.0010399200000000, 0.0015796500000000, 0.0001981400000000 ] - [ 0.0010288400000000, -0.0010458900000000, -0.0004532500000000 ] - [ -0.0001518100000000, -0.0000209600000000, -0.0000620200000000 ] - [ -0.0001188600000000, 0.0004264600000000, 0.0004326200000000 ] - [ 0.0000523100000000, 0.0001008800000000, 0.0000370100000000 ] - [ -0.0000163800000000, -0.0004057700000000, 0.0000358200000000 ] - [ 0.0000171400000000, -0.0001945400000000, 0.0000235200000000 ] - [ -0.0007570900000000, -0.0012317300000000, -0.0003824600000000 ] - [ 0.0001509400000000, -0.0000969000000000, -0.0000469800000000 ] - [ 0.0000048000000000, 0.0005625800000000, 0.0001965100000000 ] - [ -0.0000320100000000, 0.0001287200000000, 0.0000343700000000 ] - [ -0.0000341100000000, -0.0004673700000000, 0.0000487800000000 ] - [ 0.0000206200000000, -0.0002049600000000, 0.0000279200000000 ] - [ -0.0000400900000000, 0.0011800200000000, -0.0000977800000000 ] - [ 0.0002849500000000, 0.0002232400000000, -0.0000130200000000 ] - [ 0.0006322900000000, -0.0000147000000000, -0.0000240100000000 ] - [ -0.0002772900000000, 0.0000808700000000, 0.0000032900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000343800000000, -0.0017518600000000, -0.0006313700000000 ] - [ 0.0000443900000000, -0.0005610700000000, -0.0001524200000000 ] - [ 0.0000218700000000, 0.0002035200000000, -0.0000473900000000 ] - [ 0.0000740700000000, 0.0002054800000000, -0.0000265600000000 ] - [ -0.0000756800000000, -0.0000530500000000, 0.0002120300000000 ] - [ -0.0000162500000000, 0.0003844000000000, -0.0000775000000000 ] - [ -0.0003936800000000, -0.0011636100000000, 0.0004384300000000 ] - [ 0.0004219600000000, -0.0010075800000000, 0.0004695500000000 ] - [ 0.0001863100000000, 0.0005568400000000, 0.0003450400000000 ] - [ -0.0002418600000000, 0.0005586600000000, 0.0002575600000000 ] - [ 0.0002327600000000, -0.0081065400000000, 0.0047772400000000 ] - [ -0.0000102800000000, -0.0003824600000000, -0.0001137400000000 ] - [ 0.0002592300000000, -0.0002896300000000, -0.0000036100000000 ] - [ -0.0002974400000000, -0.0001485700000000, -0.0000822700000000 ] - [ 0.0000998800000000, 0.0007777700000000, -0.0003661400000000 ] - [ 0.0000330600000000, 0.0005074100000000, -0.0001144100000000 ] - [ 0.0000760400000000, -0.0011341300000000, 0.0001039000000000 ] - [ 0.0000655800000000, -0.0001746200000000, 0.0000892300000000 ] - [ -0.0000199700000000, 0.0005242500000000, -0.0002038800000000 ] - [ 0.0000728100000000, 0.0004970700000000, -0.0001565600000000 ] - [ -0.0002393600000000, 0.0002619300000000, 0.0012447200000000 ] - [ -0.0000373100000000, 0.0001325200000000, 0.0001289400000000 ] - [ -0.0000055600000000, -0.0002915800000000, -0.0001046000000000 ] - [ -0.0001491800000000, -0.0004346500000000, -0.0001180600000000 ] - [ 0.0001003200000000, -0.0002598400000000, -0.0001127100000000 ] - [ -0.0001337300000000, -0.0003000100000000, -0.0000856900000000 ] - [ -0.0015430200000000, 0.0022847600000000, -0.0055767800000000 ] - [ -0.0000141400000000, 0.0000991900000000, 0.0000950600000000 ] - [ -0.0001808900000000, 0.0006045900000000, 0.0000401700000000 ] - [ 0.0001241500000000, 0.0003220200000000, -0.0000340400000000 ] - [ -0.0000288200000000, -0.0005713500000000, 0.0000291900000000 ] - [ 0.0000448600000000, -0.0000470100000000, 0.0001175700000000 ] - [ 0.0004556900000000, -0.0006005600000000, -0.0001791800000000 ] - [ 0.0005089900000000, -0.0000148700000000, -0.0000099000000000 ] - [ -0.0000393600000000, -0.0001991900000000, -0.0000323100000000 ] - [ 0.0000648400000000, 0.0001184200000000, 0.0000930600000000 ] - [ 0.0003364200000000, -0.0001553500000000, -0.0001721100000000 ] - [ 0.0006633000000000, -0.0000717400000000, -0.0000841200000000 ] - [ -0.0006257100000000, -0.0000588700000000, -0.0000083400000000 ] - [ -0.0003898800000000, -0.0005281300000000, 0.0001492800000000 ] - [ -0.0003604000000000, -0.0001237100000000, 0.0000607200000000 ] - [ -0.0010522600000000, -0.0003172700000000, 0.0002662500000000 ] - [ 0.0050153300000000, 0.0013547300000000, 0.0026349800000000 ] - [ -0.0006284500000000, 0.0002156400000000, -0.0000225400000000 ] - [ 0.0016033500000000, 0.0008990400000000, -0.0005514600000000 ] - [ 0.0005190200000000, 0.0002602900000000, 0.0000120900000000 ] - [ 0.0002778200000000, -0.0001651100000000, -0.0001737500000000 ] - [ 0.0006141600000000, -0.0001129800000000, 0.0000131900000000 ] - [ -0.0084981400000000, 0.0374556700000000, -0.0380848600000000 ] - [ 0.0000935300000000, 0.0000142500000000, 0.0003876900000000 ] - [ 0.0002256500000000, 0.0000288100000000, -0.0003102500000000 ] - [ -0.0000339300000000, -0.0000313700000000, -0.0003190200000000 ] - [ -0.0001177300000000, -0.0000330900000000, 0.0005192300000000 ] - [ -0.0000861400000000, 0.0000744700000000, 0.0004637400000000 ] - [ -0.0001193700000000, 0.0005137500000000, -0.0004247300000000 ] - [ 0.0000632800000000, 0.0006862400000000, -0.0004150100000000 ] - [ -0.0001316500000000, 0.0002164400000000, -0.0004776500000000 ] - [ -0.0000051900000000, 0.0002745700000000, -0.0005144700000000 ] - [ -0.0001088600000000, -0.0008223000000000, 0.0005632900000000 ] - [ -0.0000720200000000, -0.0002218900000000, 0.0004625400000000 ] - [ 0.0001513700000000, -0.0005074300000000, -0.0005770400000000 ] - [ 0.0000398600000000, -0.0005081700000000, -0.0005782300000000 ] - [ 0.0001005800000000, 0.0002636900000000, 0.0006982200000000 ] - [ 0.0000836500000000, 0.0001686100000000, 0.0004788500000000 ] - [ 0.0000917600000000, -0.0012654900000000, -0.0018387100000000 ] - [ 0.0000236500000000, -0.0002283600000000, -0.0003200700000000 ] - [ 0.0001103500000000, 0.0004187800000000, 0.0002203900000000 ] - [ -0.0000635500000000, 0.0003999200000000, 0.0003480400000000 ] - [ 0.0002284200000000, 0.0008985100000000, 0.0014671700000000 ] - [ -0.0000138000000000, 0.0003104500000000, -0.0002951900000000 ] - [ 0.0003358700000000, -0.0003796000000000, 0.0004199200000000 ] - [ -0.0004551200000000, -0.0004092200000000, 0.0004814000000000 ] - [ 0.0000115000000000, 0.0000564800000000, 0.0004580100000000 ] - [ 0.0000181100000000, 0.0000484900000000, 0.0004329200000000 ] - [ -0.0001077000000000, -0.0007993800000000, 0.0006635700000000 ] - [ -0.0000004100000000, -0.0002613900000000, -0.0002297900000000 ] - [ -0.0004090000000000, -0.0004603500000000, -0.0003375300000000 ] - [ 0.0004534500000000, -0.0003042400000000, -0.0002412800000000 ] - [ -0.0000471900000000, -0.0001753300000000, -0.0005060400000000 ] - [ 0.0000239800000000, 0.0001783700000000, -0.0003040200000000 ] - [ 0.0003214300000000, -0.0003625800000000, -0.0001063100000000 ] - [ -0.0000166100000000, -0.0002419600000000, 0.0000957900000000 ] - [ 0.0000525000000000, 0.0003561400000000, -0.0000985000000000 ] - [ -0.0001440500000000, 0.0010199600000000, -0.0001932500000000 ] - [ -0.0025823600000000, 0.0029498400000000, 0.0025202100000000 ] - [ 0.0000608200000000, 0.0003211900000000, 0.0000887100000000 ] - [ 0.0005441800000000, -0.0004756900000000, 0.0002045900000000 ] - [ -0.0002332200000000, -0.0002865000000000, -0.0000855800000000 ] - [ -0.0000331900000000, -0.0000860400000000, -0.0000066700000000 ] - [ 0.0000411400000000, 0.0000644100000000, -0.0000707600000000 ] - [ 0.0000813100000000, -0.0002907900000000, 0.0006819100000000 ] - [ -0.0001100900000000, -0.0002020700000000, 0.0001535200000000 ] - [ -0.0000807800000000, -0.0001677900000000, -0.0001703700000000 ] - [ 0.0004798600000000, -0.0001757100000000, -0.0006424200000000 ] - [ -0.0008145500000000, -0.0002209000000000, 0.0003056400000000 ] - [ -0.0004644900000000, -0.0000844100000000, 0.0000385500000000 ] - [ -0.0003095800000000, -0.0001281200000000, 0.0000965700000000 ] - [ 0.0000413900000000, -0.0000909500000000, 0.0000702600000000 ] - [ 0.0006025400000000, -0.0042450400000000, -0.0044043300000000 ] - [ -0.0001336200000000, 0.0000525300000000, -0.0000759400000000 ] - [ -0.0006674200000000, -0.0003524700000000, 0.0000082200000000 ] - [ 0.0007927500000000, -0.0002708700000000, 0.0002144400000000 ] - [ 0.0000107800000000, 0.0005950300000000, -0.0012523700000000 ] - [ 0.0001230600000000, -0.0001297000000000, -0.0000771800000000 ] - [ 0.0001639600000000, 0.0008426000000000, -0.0001821300000000 ] - [ 0.0001002800000000, 0.0002409400000000, -0.0000759500000000 ] - [ 0.0002881600000000, -0.0001426500000000, -0.0000851500000000 ] - [ -0.0001221400000000, -0.0001672500000000, -0.0001442600000000 ] - [ -0.0000911500000000, 0.0001440700000000, 0.0004642200000000 ] - [ -0.0001219700000000, -0.0001617700000000, -0.0000510800000000 ] - [ -0.0000807600000000, 0.0004849400000000, 0.0001416000000000 ] - [ -0.0001917800000000, 0.0005444200000000, 0.0001702200000000 ] - [ -0.0007557900000000, 0.0005446100000000, 0.0012183000000000 ] - [ -0.0007053700000000, -0.0001245600000000, -0.0001433700000000 ] - [ -0.0002710000000000, 0.0002296900000000, -0.0003748700000000 ] - [ 0.0016251200000000, 0.0003361500000000, -0.0003055500000000 ] - [ 0.0072304100000000, -0.0318349400000000, 0.0374524500000000 ] - [ 0.0006534800000000, -0.0001758200000000, -0.0000624800000000 ] - [ 0.0008907400000000, 0.0004559600000000, -0.0022149600000000 ] - [ 0.0006735200000000, -0.0002363900000000, -0.0002796200000000 ] - [ -0.0002059400000000, -0.0003972400000000, 0.0008047200000000 ] - [ -0.0013774500000000, -0.0004912000000000, 0.0009161500000000 ] - [ 0.0008294700000000, 0.0013324700000000, 0.0000564000000000 ] - [ 0.0004108900000000, 0.0015611800000000, -0.0000860900000000 ] - [ -0.0006115600000000, 0.0028949500000000, 0.0003412400000000 ] - [ -0.0007238500000000, 0.0005374900000000, -0.0001130700000000 ] - [ -0.0012527300000000, -0.0012266700000000, 0.0002930200000000 ] - [ -0.0003528600000000, -0.0012187900000000, 0.0001015400000000 ] - [ -0.0010337000000000, 0.0011333400000000, 0.0004523700000000 ] - [ 0.0001516300000000, 0.0001141100000000, 0.0000615600000000 ] - [ 0.0001179100000000, -0.0005227200000000, -0.0004257000000000 ] - [ -0.0000524500000000, -0.0001967800000000, -0.0000373400000000 ] - [ 0.0000185400000000, 0.0003658100000000, -0.0000339700000000 ] - [ -0.0000172500000000, 0.0001010100000000, -0.0000232900000000 ] - [ 0.0007616400000000, 0.0013222700000000, 0.0003821300000000 ] - [ -0.0001520200000000, 0.0001867800000000, 0.0000466700000000 ] - [ -0.0000024500000000, -0.0006489700000000, -0.0001915000000000 ] - [ 0.0000312100000000, -0.0002203300000000, -0.0000336100000000 ] - [ 0.0000767600000000, 0.0003750800000000, -0.0000473100000000 ] - [ -0.0000634500000000, 0.0001134200000000, -0.0000278400000000 ] - [ 0.0000956800000000, -0.0010407500000000, 0.0000885100000000 ] - [ -0.0002835200000000, -0.0001301800000000, 0.0000124500000000 ] - [ -0.0006707100000000, 0.0001715300000000, 0.0000163400000000 ] - [ 0.0002748800000000, 0.0000136300000000, -0.0000033000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000423400000000, -0.0002742100000000, -0.0006602600000000 ] - [ 0.0000404300000000, -0.0005069800000000, -0.0001733900000000 ] - [ 0.0001129000000000, 0.0005481500000000, 0.0001155200000000 ] - [ -0.0000610500000000, 0.0005874000000000, 0.0001602000000000 ] - [ -0.0000286500000000, 0.0001405300000000, 0.0002477200000000 ] - [ -0.0000101200000000, 0.0004038200000000, -0.0000602700000000 ] - [ -0.0001900900000000, -0.0007167600000000, 0.0001706900000000 ] - [ 0.0001552200000000, -0.0007139900000000, 0.0001855400000000 ] - [ 0.0003239700000000, 0.0002672900000000, 0.0004366800000000 ] - [ -0.0004213500000000, 0.0002069200000000, 0.0004050600000000 ] - [ -0.0001415600000000, -0.0070896000000000, -0.0011562500000000 ] - [ 0.0000223200000000, -0.0004862100000000, -0.0001905300000000 ] - [ -0.0003170000000000, 0.0000741500000000, -0.0000995700000000 ] - [ 0.0004367200000000, 0.0001991600000000, -0.0000896000000000 ] - [ -0.0000655700000000, 0.0009211800000000, 0.0010853600000000 ] - [ 0.0000566400000000, 0.0004606700000000, -0.0000388300000000 ] - [ 0.0000214300000000, -0.0006552600000000, 0.0000241400000000 ] - [ 0.0000543400000000, -0.0000991000000000, 0.0000744700000000 ] - [ 0.0005816800000000, 0.0006097900000000, 0.0000096300000000 ] - [ -0.0004159300000000, 0.0005422700000000, -0.0000429900000000 ] - [ -0.0005277400000000, -0.0022570000000000, 0.0031163200000000 ] - [ -0.0000001100000000, 0.0000189700000000, 0.0001737900000000 ] - [ -0.0000771700000000, -0.0000610800000000, -0.0001142100000000 ] - [ -0.0000175900000000, -0.0000532500000000, -0.0001214300000000 ] - [ 0.0000846900000000, -0.0001511900000000, -0.0001096100000000 ] - [ -0.0001157200000000, -0.0001978300000000, -0.0001331200000000 ] - [ 0.0041469100000000, 0.0078599900000000, 0.0101882000000000 ] - [ -0.0000300300000000, -0.0000057800000000, 0.0000566700000000 ] - [ -0.0003790100000000, -0.0002665900000000, 0.0001409500000000 ] - [ 0.0006104500000000, -0.0003886000000000, 0.0000809500000000 ] - [ 0.0000737400000000, 0.0003463300000000, 0.0002417800000000 ] - [ 0.0000585100000000, 0.0000545500000000, 0.0001250400000000 ] - [ 0.0003537100000000, -0.0001038000000000, -0.0002152000000000 ] - [ 0.0005766600000000, 0.0000711900000000, -0.0000343600000000 ] - [ 0.0000927700000000, 0.0001500200000000, 0.0000557000000000 ] - [ 0.0000135100000000, 0.0001905500000000, 0.0000782100000000 ] - [ 0.0011391100000000, 0.0003288600000000, 0.0002368800000000 ] - [ 0.0004449800000000, -0.0000189800000000, 0.0000224400000000 ] - [ -0.0006049800000000, 0.0000500800000000, -0.0000266600000000 ] - [ -0.0004258300000000, -0.0001337200000000, -0.0000057900000000 ] - [ -0.0003525800000000, -0.0001500100000000, 0.0000725600000000 ] - [ -0.0010734200000000, -0.0005719300000000, 0.0003302900000000 ] - [ 0.0078849600000000, -0.0025880000000000, -0.0001035400000000 ] - [ -0.0006541500000000, 0.0001272000000000, -0.0001371100000000 ] - [ -0.0030160300000000, 0.0007707600000000, 0.0004821300000000 ] - [ 0.0009052900000000, 0.0001702100000000, -0.0000544400000000 ] - [ 0.0007685500000000, 0.0000713600000000, 0.0004621700000000 ] - [ 0.0005429800000000, -0.0000779900000000, 0.0000737300000000 ] - [ -0.0193270300000000, 0.0396460000000000, -0.1487705300000000 ] - [ 0.0001016700000000, -0.0000503700000000, 0.0002936500000000 ] - [ 0.0001321500000000, -0.0000170800000000, -0.0001430000000000 ] - [ -0.0000119000000000, -0.0000332600000000, -0.0001436800000000 ] - [ -0.0001250800000000, 0.0001763300000000, 0.0010704600000000 ] - [ -0.0000798900000000, 0.0001279300000000, 0.0005464500000000 ] - [ -0.0003356500000000, -0.0000860100000000, -0.0012381900000000 ] - [ 0.0007463400000000, -0.0000792800000000, -0.0014632300000000 ] - [ 0.0000412900000000, 0.0001439600000000, -0.0001428200000000 ] - [ -0.0001640100000000, 0.0001769200000000, -0.0000408200000000 ] - [ -0.0000979900000000, -0.0002305000000000, 0.0001786700000000 ] - [ -0.0000552000000000, -0.0001092700000000, 0.0003888600000000 ] - [ 0.0000966200000000, -0.0002430500000000, -0.0005985500000000 ] - [ 0.0000887400000000, -0.0002276100000000, -0.0005890700000000 ] - [ 0.0001624200000000, 0.0003677800000000, 0.0020977000000000 ] - [ 0.0001039800000000, 0.0001422800000000, 0.0005555300000000 ] - [ -0.0001183000000000, 0.0016998400000000, 0.0004376300000000 ] - [ 0.0000581500000000, -0.0002076200000000, -0.0002776300000000 ] - [ -0.0001797600000000, 0.0003507000000000, 0.0009729800000000 ] - [ 0.0004332600000000, 0.0005131500000000, 0.0011130800000000 ] - [ 0.0005469000000000, -0.0011280900000000, 0.0029961200000000 ] - [ -0.0000135800000000, 0.0002722100000000, -0.0002876800000000 ] - [ 0.0003246600000000, -0.0005400500000000, 0.0002289200000000 ] - [ -0.0004181000000000, -0.0006145200000000, 0.0000458900000000 ] - [ -0.0000704400000000, 0.0001959200000000, 0.0004189000000000 ] - [ 0.0000319800000000, 0.0001597800000000, 0.0004472400000000 ] - [ -0.0001474000000000, -0.0010771900000000, -0.0001239300000000 ] - [ 0.0000090400000000, -0.0002730800000000, -0.0002799500000000 ] - [ -0.0000962200000000, -0.0002439000000000, -0.0002819500000000 ] - [ 0.0000732600000000, -0.0001326600000000, -0.0002447600000000 ] - [ -0.0000063100000000, 0.0003495700000000, -0.0002592800000000 ] - [ 0.0000303300000000, 0.0002420800000000, -0.0003078900000000 ] - [ -0.0002826900000000, 0.0000364800000000, 0.0002483800000000 ] - [ 0.0001392300000000, -0.0001804300000000, 0.0001814600000000 ] - [ -0.0001362400000000, 0.0002445800000000, -0.0000794400000000 ] - [ 0.0037363000000000, 0.0008399200000000, 0.0018884500000000 ] - [ -0.0093814500000000, -0.0017125000000000, 0.0074108600000000 ] - [ 0.0001735300000000, 0.0002459300000000, 0.0000484400000000 ] - [ 0.0004742300000000, -0.0006003000000000, 0.0000851700000000 ] - [ -0.0002467500000000, -0.0003096600000000, -0.0001543700000000 ] - [ -0.0001494400000000, 0.0001228200000000, -0.0001113700000000 ] - [ 0.0000518000000000, 0.0001681100000000, -0.0000825400000000 ] - [ 0.0002567500000000, -0.0007238100000000, 0.0006889200000000 ] - [ -0.0000884900000000, -0.0002417900000000, 0.0001635600000000 ] - [ 0.0001903700000000, -0.0001406600000000, -0.0001620700000000 ] - [ -0.0007252300000000, 0.0003862200000000, -0.0001259100000000 ] - [ -0.0010399600000000, -0.0004286900000000, 0.0005369100000000 ] - [ -0.0004731500000000, -0.0001246600000000, 0.0000889100000000 ] - [ -0.0000073300000000, -0.0002731500000000, -0.0001096000000000 ] - [ -0.0002406000000000, -0.0003558000000000, -0.0001995300000000 ] - [ -0.0009522600000000, 0.0027256200000000, 0.0086348600000000 ] - [ -0.0001888500000000, 0.0001351300000000, -0.0000736300000000 ] - [ -0.0012434000000000, -0.0000951400000000, 0.0002005700000000 ] - [ 0.0017814700000000, 0.0002145400000000, 0.0010223500000000 ] - [ 0.0000377500000000, 0.0009819800000000, -0.0010238500000000 ] - [ 0.0001062500000000, -0.0001246200000000, -0.0000662000000000 ] - [ 0.0001579600000000, 0.0004437900000000, 0.0000078600000000 ] - [ 0.0000916800000000, 0.0001658200000000, -0.0000718100000000 ] - [ 0.0003101300000000, -0.0000673200000000, -0.0001540600000000 ] - [ -0.0001228200000000, 0.0000217700000000, -0.0002550800000000 ] - [ 0.0002603800000000, -0.0019533300000000, -0.0009242000000000 ] - [ -0.0001321900000000, -0.0001569900000000, -0.0000710900000000 ] - [ -0.0001575600000000, 0.0002159000000000, 0.0001783800000000 ] - [ -0.0000958600000000, 0.0002250900000000, 0.0002183700000000 ] - [ -0.0004629500000000, -0.0017401000000000, -0.0022656400000000 ] - [ -0.0008003300000000, -0.0002599600000000, -0.0003490200000000 ] - [ -0.0002558700000000, 0.0005567200000000, -0.0004128500000000 ] - [ 0.0017461700000000, 0.0008079800000000, -0.0001888500000000 ] - [ 0.0175365900000000, -0.0405704100000000, 0.1146699500000000 ] - [ 0.0005942100000000, 0.0000960800000000, 0.0001150700000000 ] - [ 0.0006777400000000, 0.0025673400000000, -0.0034110400000000 ] - [ 0.0006181800000000, -0.0001157200000000, -0.0003641700000000 ] - [ -0.0016128900000000, -0.0009588900000000, 0.0002470800000000 ] - [ 0.0001799000000000, -0.0010818300000000, 0.0000609200000000 ] - [ 0.0009161100000000, 0.0005515800000000, 0.0002046900000000 ] - [ 0.0004101800000000, 0.0006405100000000, 0.0001012200000000 ] - [ -0.0005506600000000, 0.0006133500000000, 0.0004335700000000 ] - [ -0.0007303000000000, 0.0002740800000000, -0.0000092800000000 ] - [ 0.0019100800000000, 0.0000208700000000, 0.0000495300000000 ] - [ -0.0047737300000000, -0.0006253800000000, 0.0000737700000000 ] - [ -0.0000985700000000, 0.0001775800000000, 0.0011349800000000 ] - [ -0.0000221300000000, 0.0000400800000000, 0.0002093100000000 ] - [ 0.0003179900000000, -0.0000977200000000, -0.0022603400000000 ] - [ -0.0000754100000000, -0.0000679100000000, -0.0002185900000000 ] - [ 0.0000431600000000, 0.0000048200000000, -0.0002692300000000 ] - [ 0.0000092400000000, -0.0000155200000000, -0.0000976800000000 ] - [ 0.0002464600000000, 0.0001269500000000, 0.0008450300000000 ] - [ -0.0000755100000000, 0.0000653100000000, 0.0001462700000000 ] - [ -0.0003194400000000, -0.0001629400000000, -0.0017077500000000 ] - [ 0.0000569900000000, -0.0000672800000000, -0.0002959600000000 ] - [ -0.0000267000000000, 0.0000525600000000, -0.0002857900000000 ] - [ -0.0000399800000000, -0.0000043300000000, -0.0000918500000000 ] - [ 0.0012317600000000, 0.0009120300000000, 0.0021557000000000 ] - [ -0.0001980600000000, 0.0001021200000000, 0.0002229800000000 ] - [ -0.0009153200000000, 0.0015248300000000, 0.0016036600000000 ] - [ 0.0000911600000000, 0.0000739500000000, 0.0001308300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000918000000000, -0.0006339100000000, 0.0004370300000000 ] - [ 0.0000233400000000, -0.0003934900000000, -0.0000405200000000 ] - [ -0.0000632700000000, 0.0003580300000000, 0.0001034500000000 ] - [ 0.0001097100000000, 0.0003223500000000, 0.0000602600000000 ] - [ -0.0000208800000000, 0.0007709600000000, -0.0004681400000000 ] - [ -0.0000390200000000, 0.0005021800000000, -0.0001598000000000 ] - [ 0.0001238700000000, -0.0001859000000000, 0.0000458700000000 ] - [ -0.0002029600000000, -0.0001928600000000, 0.0000373200000000 ] - [ -0.0003745400000000, 0.0006366400000000, -0.0002176600000000 ] - [ 0.0003858500000000, 0.0007208400000000, -0.0001686500000000 ] - [ 0.0000838500000000, 0.0061327300000000, 0.0008896500000000 ] - [ -0.0000516300000000, -0.0004473500000000, -0.0000481200000000 ] - [ 0.0003676000000000, -0.0009832100000000, 0.0003208500000000 ] - [ -0.0004068600000000, -0.0011382900000000, 0.0003333500000000 ] - [ 0.0001009000000000, 0.0000027100000000, -0.0013286100000000 ] - [ -0.0000059700000000, 0.0004423000000000, -0.0001807900000000 ] - [ 0.0000597200000000, 0.0005648900000000, 0.0001898100000000 ] - [ 0.0000247000000000, 0.0000061600000000, 0.0001402700000000 ] - [ -0.0004997100000000, -0.0005168900000000, -0.0002239400000000 ] - [ 0.0004983000000000, -0.0004577800000000, -0.0001714600000000 ] - [ 0.0004510300000000, 0.0023614800000000, -0.0029274500000000 ] - [ -0.0000812000000000, 0.0000751900000000, 0.0000387000000000 ] - [ -0.0000033200000000, -0.0000325100000000, -0.0000997700000000 ] - [ -0.0000623800000000, -0.0000390500000000, -0.0000937600000000 ] - [ -0.0001659600000000, 0.0002435100000000, -0.0001038900000000 ] - [ 0.0000350300000000, 0.0002923100000000, -0.0000786600000000 ] - [ -0.0041420500000000, -0.0077831200000000, -0.0097951800000000 ] - [ -0.0000493200000000, -0.0000889400000000, 0.0001586500000000 ] - [ 0.0004600700000000, 0.0001756400000000, -0.0003550300000000 ] - [ -0.0005319300000000, 0.0003007100000000, -0.0002977800000000 ] - [ 0.0000079800000000, -0.0002554000000000, -0.0000271600000000 ] - [ 0.0000214200000000, 0.0000397100000000, 0.0000871500000000 ] - [ 0.0007414200000000, 0.0003013400000000, 0.0002274900000000 ] - [ 0.0005159500000000, 0.0001325600000000, 0.0000497900000000 ] - [ -0.0000207000000000, 0.0002878700000000, 0.0001601300000000 ] - [ 0.0000583200000000, 0.0002457900000000, 0.0001399500000000 ] - [ -0.0000412800000000, -0.0005255200000000, -0.0002505800000000 ] - [ 0.0006437400000000, -0.0001789600000000, -0.0000350600000000 ] - [ -0.0004897200000000, 0.0001544500000000, 0.0000104900000000 ] - [ -0.0006698900000000, 0.0003321800000000, -0.0000056600000000 ] - [ -0.0007425000000000, -0.0000497700000000, -0.0000857500000000 ] - [ -0.0000091800000000, 0.0003852600000000, -0.0003374800000000 ] - [ -0.0089027100000000, 0.0027706800000000, 0.0000652100000000 ] - [ -0.0004299600000000, 0.0000586200000000, 0.0001425000000000 ] - [ 0.0041173500000000, -0.0005746200000000, -0.0004888200000000 ] - [ 0.0001801600000000, 0.0000171800000000, 0.0000503400000000 ] - [ 0.0003117800000000, -0.0002599800000000, -0.0004574600000000 ] - [ 0.0005535800000000, -0.0001225900000000, -0.0000587000000000 ] - [ 0.0182028100000000, -0.0367484500000000, 0.1443910600000000 ] - [ 0.0000749200000000, -0.0001929600000000, 0.0006102800000000 ] - [ 0.0000350600000000, 0.0002464400000000, -0.0007598400000000 ] - [ 0.0001777200000000, 0.0002637300000000, -0.0007548300000000 ] - [ -0.0000420100000000, 0.0000535300000000, -0.0001747800000000 ] - [ -0.0000859000000000, 0.0001015600000000, 0.0003561700000000 ] - [ 0.0001584200000000, -0.0001546700000000, 0.0003398300000000 ] - [ -0.0009076100000000, -0.0001484200000000, 0.0005714000000000 ] - [ -0.0002083900000000, 0.0000862300000000, -0.0007605200000000 ] - [ 0.0000047900000000, 0.0000335400000000, -0.0008496800000000 ] - [ -0.0000690200000000, -0.0000001500000000, 0.0007247300000000 ] - [ -0.0001027400000000, -0.0001042100000000, 0.0005050300000000 ] - [ 0.0000705900000000, 0.0000110100000000, -0.0003044800000000 ] - [ 0.0000688100000000, 0.0000142000000000, -0.0003040000000000 ] - [ -0.0000054100000000, -0.0001546500000000, -0.0012110700000000 ] - [ 0.0000642200000000, 0.0000882000000000, 0.0003479500000000 ] - [ 0.0001518000000000, -0.0021983100000000, -0.0010259500000000 ] - [ -0.0000010400000000, -0.0002915200000000, -0.0002864300000000 ] - [ 0.0002135100000000, 0.0001431800000000, -0.0003776400000000 ] - [ -0.0003876000000000, -0.0000170100000000, -0.0005483900000000 ] - [ -0.0005962300000000, 0.0016238500000000, -0.0035816500000000 ] - [ -0.0000194100000000, 0.0002204200000000, -0.0003103800000000 ] - [ -0.0003604300000000, 0.0000482200000000, 0.0003681700000000 ] - [ 0.0003626900000000, 0.0001190700000000, 0.0005133800000000 ] - [ 0.0000356600000000, 0.0002977600000000, 0.0001795500000000 ] - [ -0.0000680200000000, 0.0003341800000000, 0.0001487400000000 ] - [ 0.0001149500000000, 0.0005875700000000, -0.0004647900000000 ] - [ -0.0000252400000000, -0.0002124000000000, -0.0003254600000000 ] - [ 0.0001109900000000, -0.0002389700000000, 0.0008829200000000 ] - [ -0.0000384400000000, -0.0003609500000000, 0.0008393200000000 ] - [ 0.0000421300000000, 0.0001438200000000, -0.0003394800000000 ] - [ 0.0000044900000000, 0.0002490800000000, -0.0002872800000000 ] - [ 0.0003578100000000, -0.0004778600000000, -0.0000315700000000 ] - [ -0.0000551200000000, -0.0002592200000000, 0.0000593000000000 ] - [ 0.0002100700000000, 0.0001926600000000, -0.0001369800000000 ] - [ -0.0036823400000000, -0.0004088500000000, -0.0021379000000000 ] - [ 0.0091188200000000, 0.0021252600000000, -0.0070800400000000 ] - [ -0.0002451700000000, 0.0001891500000000, 0.0001680600000000 ] - [ -0.0005487900000000, 0.0001624400000000, -0.0003020000000000 ] - [ 0.0001610200000000, -0.0001308700000000, -0.0000875800000000 ] - [ 0.0000795000000000, 0.0003150700000000, -0.0001034900000000 ] - [ -0.0001242300000000, 0.0002686000000000, -0.0001353200000000 ] - [ -0.0003405700000000, 0.0002859500000000, -0.0004719500000000 ] - [ 0.0000140800000000, -0.0001957800000000, 0.0000375200000000 ] - [ -0.0001152200000000, -0.0002964700000000, -0.0000395200000000 ] - [ 0.0008031100000000, -0.0008277000000000, -0.0000933600000000 ] - [ -0.0000440000000000, 0.0002338500000000, -0.0005245900000000 ] - [ -0.0006207100000000, -0.0000747800000000, -0.0000753500000000 ] - [ -0.0002337200000000, -0.0000143800000000, 0.0002504000000000 ] - [ 0.0000076400000000, 0.0000599800000000, 0.0003270500000000 ] - [ 0.0008370900000000, -0.0027604500000000, -0.0095587200000000 ] - [ -0.0000598100000000, 0.0001700400000000, -0.0000722700000000 ] - [ 0.0014867700000000, 0.0003877200000000, -0.0000607800000000 ] - [ -0.0015400700000000, 0.0000894400000000, -0.0008790000000000 ] - [ 0.0002075400000000, -0.0012815100000000, 0.0008827800000000 ] - [ 0.0001228900000000, -0.0001644000000000, -0.0000569900000000 ] - [ 0.0000817900000000, -0.0001562600000000, -0.0001499300000000 ] - [ 0.0001432200000000, 0.0001141000000000, -0.0000745700000000 ] - [ -0.0000731800000000, -0.0002241100000000, 0.0002932900000000 ] - [ 0.0003609000000000, -0.0003060800000000, 0.0003996100000000 ] - [ -0.0004934600000000, 0.0016614300000000, 0.0007809900000000 ] - [ -0.0001068100000000, -0.0001353600000000, -0.0000693500000000 ] - [ -0.0000826400000000, 0.0000753100000000, -0.0000376000000000 ] - [ -0.0001392100000000, 0.0000553200000000, -0.0000705900000000 ] - [ -0.0009119000000000, 0.0013766500000000, 0.0019769300000000 ] - [ -0.0006008200000000, -0.0001034400000000, 0.0000205600000000 ] - [ 0.0016423400000000, -0.0009156600000000, 0.0007156900000000 ] - [ -0.0003537600000000, -0.0011865700000000, 0.0005101400000000 ] - [ -0.0149473200000000, 0.0380570100000000, -0.1090316800000000 ] - [ 0.0007747000000000, 0.0002936800000000, -0.0004093900000000 ] - [ 0.0007107100000000, -0.0029440400000000, 0.0031174200000000 ] - [ 0.0007666000000000, -0.0002492200000000, 0.0000584700000000 ] - [ 0.0002234200000000, 0.0005924900000000, 0.0000649300000000 ] - [ -0.0015667400000000, 0.0007319400000000, 0.0002415100000000 ] - [ 0.0004658100000000, -0.0001837500000000, 0.0000928500000000 ] - [ 0.0009770100000000, -0.0002867200000000, 0.0001865400000000 ] - [ -0.0008341400000000, -0.0002529500000000, -0.0007322100000000 ] - [ -0.0006543200000000, 0.0000845100000000, -0.0002795400000000 ] - [ -0.0032922400000000, 0.0003414000000000, 0.0002495100000000 ] - [ 0.0034067600000000, 0.0010095500000000, 0.0002233600000000 ] - [ 0.0001014100000000, -0.0000861600000000, -0.0011379600000000 ] - [ 0.0000214800000000, 0.0000934300000000, -0.0002116700000000 ] - [ -0.0003137100000000, -0.0000209000000000, 0.0022605300000000 ] - [ 0.0000738900000000, -0.0000271100000000, 0.0002192200000000 ] - [ -0.0000440600000000, -0.0001015100000000, 0.0002701100000000 ] - [ -0.0000086600000000, -0.0000837000000000, 0.0000975700000000 ] - [ -0.0002205300000000, -0.0000420200000000, -0.0008477600000000 ] - [ 0.0000488300000000, 0.0000239100000000, -0.0001462200000000 ] - [ 0.0003311600000000, 0.0000756800000000, 0.0017102600000000 ] - [ -0.0000717000000000, -0.0000213000000000, 0.0002957300000000 ] - [ 0.0000280700000000, -0.0001492900000000, 0.0002870700000000 ] - [ 0.0000384600000000, -0.0000890300000000, 0.0000917000000000 ] - [ -0.0012320800000000, -0.0008191500000000, -0.0021673600000000 ] - [ 0.0001931100000000, -0.0000057500000000, -0.0002228900000000 ] - [ 0.0009144900000000, -0.0014239000000000, -0.0016165800000000 ] - [ -0.0000901000000000, 0.0000226000000000, -0.0001306600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002266200000000, -0.0003946800000000, -0.0000983500000000 ] - [ 0.0001970000000000, -0.0004729900000000, -0.0001165600000000 ] - [ 0.0000576000000000, 0.0003915400000000, 0.0000926200000000 ] - [ 0.0000531900000000, 0.0005422000000000, 0.0001095300000000 ] - [ -0.0002776200000000, 0.0005029200000000, -0.0001036000000000 ] - [ 0.0001588700000000, 0.0004244000000000, -0.0001082500000000 ] - [ 0.0000157200000000, -0.0006179900000000, 0.0001347800000000 ] - [ 0.0000284200000000, -0.0002935500000000, 0.0001090300000000 ] - [ 0.0000510900000000, 0.0006384800000000, 0.0001251500000000 ] - [ 0.0000664900000000, 0.0002732600000000, 0.0000733400000000 ] - [ -0.0010565500000000, -0.0006462700000000, -0.0003328300000000 ] - [ 0.0002607200000000, -0.0004207600000000, -0.0001174900000000 ] - [ 0.0006979900000000, -0.0001669900000000, 0.0001263700000000 ] - [ 0.0014968600000000, -0.0012432900000000, 0.0000699700000000 ] - [ -0.0028672200000000, 0.0021333700000000, -0.0031735800000000 ] - [ 0.0003103000000000, 0.0004741400000000, -0.0000912100000000 ] - [ -0.0005431400000000, 0.0001029600000000, -0.0000859900000000 ] - [ 0.0002661800000000, -0.0000943100000000, 0.0001103300000000 ] - [ 0.0000684500000000, 0.0001591300000000, -0.0000863000000000 ] - [ 0.0000652300000000, -0.0000321100000000, -0.0001459300000000 ] - [ -0.0003994900000000, 0.0002746200000000, 0.0000841100000000 ] - [ 0.0001670600000000, -0.0000026700000000, 0.0001235600000000 ] - [ 0.0003556300000000, -0.0005623500000000, -0.0000405800000000 ] - [ 0.0003644600000000, 0.0007371800000000, 0.0000022900000000 ] - [ 0.0001242600000000, -0.0001600500000000, -0.0000553000000000 ] - [ 0.0001047400000000, 0.0001482000000000, -0.0003953900000000 ] - [ -0.0002830500000000, -0.0000108400000000, 0.0000942600000000 ] - [ 0.0001274200000000, -0.0000349500000000, 0.0000975700000000 ] - [ 0.0001695300000000, 0.0004802000000000, -0.0002606000000000 ] - [ 0.0002994400000000, -0.0004605600000000, -0.0000197800000000 ] - [ -0.0031403800000000, 0.0007666200000000, 0.0007929000000000 ] - [ 0.0003154000000000, 0.0000802200000000, 0.0000975000000000 ] - [ 0.0000542500000000, 0.0004055000000000, -0.0001881400000000 ] - [ 0.0008344500000000, 0.0000663400000000, 0.0000561400000000 ] - [ -0.0004005200000000, 0.0000744800000000, 0.0001167900000000 ] - [ 0.0003462800000000, 0.0002719900000000, 0.0001130000000000 ] - [ 0.0004299200000000, -0.0000790400000000, -0.0000228700000000 ] - [ 0.0006921700000000, -0.0001106100000000, -0.0000153500000000 ] - [ -0.0001993400000000, -0.0000419500000000, 0.0000208400000000 ] - [ -0.0007408900000000, 0.0004635500000000, 0.0000925400000000 ] - [ -0.0001506000000000, -0.0000699900000000, 0.0000464000000000 ] - [ -0.0007559400000000, -0.0001415100000000, 0.0000872500000000 ] - [ -0.0011630600000000, 0.0004020800000000, 0.0003154500000000 ] - [ -0.0001699000000000, 0.0000301400000000, -0.0000814300000000 ] - [ 0.0022446500000000, 0.0016845600000000, 0.0000827400000000 ] - [ 0.0011971500000000, -0.0000742300000000, -0.0000614400000000 ] - [ 0.0014564400000000, 0.0011471700000000, 0.0063372200000000 ] - [ 0.0010976400000000, -0.0001318000000000, 0.0000071900000000 ] - [ -0.0005309100000000, -0.0001920100000000, 0.0003157100000000 ] - [ 0.0003213000000000, -0.0001227600000000, 0.0004713600000000 ] - [ 0.0003508800000000, 0.0000364100000000, -0.0008696100000000 ] - [ 0.0002818000000000, 0.0002109800000000, -0.0002542500000000 ] - [ -0.0012403600000000, -0.0001249100000000, -0.0001029500000000 ] - [ 0.0001741600000000, 0.0001138700000000, 0.0004485600000000 ] - [ 0.0002054500000000, 0.0002372000000000, -0.0001100100000000 ] - [ 0.0001101800000000, -0.0005541000000000, -0.0008309000000000 ] - [ -0.0000400000000000, 0.0001659100000000, -0.0005056800000000 ] - [ -0.0000762100000000, 0.0000805200000000, -0.0004023700000000 ] - [ -0.0008432000000000, -0.0002110100000000, 0.0005823900000000 ] - [ 0.0001721700000000, -0.0001009100000000, 0.0004262100000000 ] - [ 0.0003233200000000, -0.0005570100000000, -0.0005098600000000 ] - [ 0.0004466300000000, 0.0003070000000000, -0.0003406500000000 ] - [ -0.0001436100000000, 0.0001294800000000, 0.0004289900000000 ] - [ 0.0002525800000000, 0.0001234800000000, 0.0004653100000000 ] - [ -0.0279432500000000, 0.0033404100000000, 0.0183521400000000 ] - [ 0.0003692700000000, -0.0002383300000000, -0.0003027600000000 ] - [ 0.0004119100000000, 0.0006253200000000, -0.0000096000000000 ] - [ 0.0004128300000000, -0.0000337800000000, 0.0007190500000000 ] - [ -0.0003831100000000, 0.0002696300000000, -0.0004284100000000 ] - [ 0.0002085300000000, 0.0002484900000000, -0.0003046500000000 ] - [ 0.0004245100000000, -0.0001164600000000, 0.0007943200000000 ] - [ 0.0003216300000000, -0.0004101900000000, -0.0002211200000000 ] - [ 0.0000676400000000, 0.0000937900000000, 0.0001592400000000 ] - [ 0.0000183600000000, 0.0004282300000000, 0.0004719200000000 ] - [ -0.0002614200000000, -0.0002130000000000, -0.0002867500000000 ] - [ 0.0001716100000000, -0.0002549000000000, -0.0002792700000000 ] - [ 0.0000379600000000, -0.0002616300000000, 0.0003274700000000 ] - [ 0.0000372500000000, -0.0002009100000000, 0.0002494100000000 ] - [ -0.0002584800000000, 0.0003018300000000, -0.0003430700000000 ] - [ 0.0001988500000000, 0.0002290900000000, -0.0003115400000000 ] - [ 0.0069009500000000, -0.0045124000000000, -0.0070525500000000 ] - [ 0.0006218100000000, -0.0002040800000000, 0.0002134400000000 ] - [ 0.0005416300000000, 0.0003655100000000, -0.0001776500000000 ] - [ 0.0008535000000000, -0.0012592000000000, 0.0002312600000000 ] - [ -0.0004479700000000, 0.0001480000000000, 0.0000574800000000 ] - [ 0.0002960200000000, 0.0002446500000000, 0.0000873100000000 ] - [ -0.0001587000000000, -0.0002062700000000, 0.0002571600000000 ] - [ 0.0003473300000000, -0.0002036300000000, -0.0001280100000000 ] - [ -0.0001247800000000, -0.0002020800000000, -0.0001326000000000 ] - [ 0.0003569900000000, 0.0003225000000000, -0.0000154900000000 ] - [ -0.0004028700000000, -0.0002860500000000, 0.0001865400000000 ] - [ 0.0002470900000000, -0.0001919100000000, 0.0000652000000000 ] - [ 0.0001964700000000, -0.0002148000000000, -0.0001214600000000 ] - [ -0.0000984000000000, -0.0002130300000000, -0.0001137400000000 ] - [ -0.0008117000000000, -0.0000880700000000, 0.0000147400000000 ] - [ -0.0003004200000000, -0.0000985900000000, 0.0000049500000000 ] - [ -0.0015012400000000, -0.0002174400000000, 0.0004754000000000 ] - [ -0.0012340300000000, -0.0003796600000000, -0.0003513600000000 ] - [ 0.0026605600000000, 0.0013571200000000, -0.0004102200000000 ] - [ -0.0005696900000000, 0.0001591400000000, -0.0001089700000000 ] - [ -0.0000002800000000, -0.0000726200000000, -0.0000989700000000 ] - [ 0.0000192800000000, 0.0003500300000000, 0.0002826300000000 ] - [ 0.0007820100000000, -0.0001215400000000, 0.0000071900000000 ] - [ -0.0002353100000000, -0.0001393000000000, -0.0000391600000000 ] - [ 0.0007448500000000, 0.0001784300000000, -0.0001364000000000 ] - [ -0.0002099700000000, 0.0001419500000000, -0.0000510900000000 ] - [ 0.0000635400000000, -0.0001959300000000, 0.0001399400000000 ] - [ 0.0001126800000000, -0.0000914600000000, -0.0000164600000000 ] - [ 0.0001099000000000, -0.0001781800000000, -0.0000397200000000 ] - [ -0.0003116800000000, -0.0001437100000000, -0.0000794000000000 ] - [ -0.0001842200000000, 0.0003522900000000, -0.0000366600000000 ] - [ -0.0002799300000000, -0.0001302100000000, 0.0002372800000000 ] - [ 0.0179175800000000, -0.0049587300000000, -0.0141811100000000 ] - [ -0.0020395900000000, -0.0001797000000000, -0.0002496900000000 ] - [ 0.0000483600000000, -0.0002077400000000, -0.0001331800000000 ] - [ 0.0001593500000000, -0.0000597100000000, 0.0005032700000000 ] - [ 0.0025282600000000, 0.0002035400000000, -0.0000237000000000 ] - [ -0.0002523600000000, 0.0001889800000000, -0.0000806900000000 ] - [ 0.0016691300000000, -0.0003253300000000, -0.0001911000000000 ] - [ -0.0000410300000000, -0.0001533500000000, -0.0001402600000000 ] - [ -0.0007921000000000, -0.0002490200000000, 0.0001827600000000 ] - [ -0.0007292700000000, -0.0001866700000000, 0.0001762300000000 ] - [ 0.0001368900000000, 0.0012839800000000, 0.0002538900000000 ] - [ 0.0001631200000000, -0.0010397900000000, -0.0001914200000000 ] - [ 0.0009038400000000, -0.0000127400000000, -0.0000626600000000 ] - [ -0.0015158600000000, 0.0001980500000000, -0.0001606500000000 ] - [ -0.0027953200000000, -0.0013087000000000, 0.0003577700000000 ] - [ -0.0030395000000000, 0.0023167100000000, 0.0000668400000000 ] - [ 0.0028682300000000, -0.0006970300000000, 0.0003880400000000 ] - [ -0.0006644000000000, -0.0000132900000000, 0.0000962200000000 ] - [ 0.0004736200000000, 0.0003085700000000, -0.0003900900000000 ] - [ -0.0003333100000000, -0.0001473400000000, 0.0001000100000000 ] - [ 0.0002497500000000, 0.0002877500000000, 0.0002173500000000 ] - [ -0.0002549800000000, -0.0001273700000000, -0.0000507800000000 ] - [ 0.0027153700000000, 0.0013118600000000, -0.0013127300000000 ] - [ -0.0006273200000000, 0.0001459900000000, -0.0000721600000000 ] - [ 0.0001526400000000, -0.0004074800000000, 0.0002707200000000 ] - [ -0.0002893800000000, 0.0000573600000000, -0.0000918600000000 ] - [ 0.0003217100000000, -0.0004040500000000, -0.0001592700000000 ] - [ -0.0003109500000000, 0.0000672700000000, 0.0000412800000000 ] - [ 0.0002569600000000, -0.0001841400000000, -0.0001302200000000 ] - [ -0.0002642900000000, 0.0001439900000000, 0.0000736500000000 ] - [ 0.0002397700000000, 0.0001063600000000, 0.0000650900000000 ] - [ -0.0002373300000000, 0.0000108100000000, -0.0000386400000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002771400000000, -0.0005110300000000, -0.0001221300000000 ] - [ -0.0001480500000000, -0.0004324400000000, -0.0001044900000000 ] - [ -0.0000084500000000, 0.0005137000000000, 0.0001280000000000 ] - [ -0.0000027600000000, 0.0003636600000000, 0.0001114900000000 ] - [ 0.0002266300000000, 0.0004063100000000, -0.0001166600000000 ] - [ -0.0002098300000000, 0.0004805600000000, -0.0001123800000000 ] - [ -0.0000662100000000, -0.0002874100000000, 0.0000859000000000 ] - [ -0.0000790500000000, -0.0006113100000000, 0.0001112900000000 ] - [ -0.0001029200000000, 0.0002678400000000, 0.0000969600000000 ] - [ -0.0001159500000000, 0.0006323800000000, 0.0001488300000000 ] - [ 0.0010068800000000, -0.0002554300000000, 0.0001137000000000 ] - [ -0.0003114400000000, -0.0004840500000000, -0.0001022700000000 ] - [ -0.0006450300000000, -0.0007361000000000, 0.0000923700000000 ] - [ -0.0014596100000000, 0.0003447100000000, 0.0001492300000000 ] - [ 0.0028877000000000, -0.0012561200000000, 0.0029975200000000 ] - [ -0.0002599400000000, 0.0004306900000000, -0.0001301700000000 ] - [ 0.0006245900000000, -0.0001953000000000, 0.0003026100000000 ] - [ -0.0001863000000000, 0.0000028900000000, 0.0001031900000000 ] - [ 0.0000117100000000, -0.0000681700000000, -0.0001261100000000 ] - [ 0.0000160900000000, 0.0001233500000000, -0.0000667700000000 ] - [ 0.0003180200000000, -0.0001887800000000, 0.0001296100000000 ] - [ -0.0002489500000000, 0.0000940500000000, 0.0000900300000000 ] - [ -0.0004365800000000, 0.0004701500000000, -0.0001741800000000 ] - [ -0.0004441200000000, -0.0008299000000000, -0.0002198000000000 ] - [ -0.0002044100000000, 0.0002501300000000, -0.0001567600000000 ] - [ -0.0001857600000000, -0.0000575900000000, 0.0001858500000000 ] - [ 0.0002014900000000, -0.0000801500000000, 0.0001199400000000 ] - [ -0.0002090800000000, -0.0000555000000000, 0.0001158900000000 ] - [ -0.0000890200000000, -0.0005688600000000, 0.0000449500000000 ] - [ -0.0002186000000000, 0.0003716400000000, -0.0001953800000000 ] - [ 0.0032304000000000, -0.0006174900000000, -0.0005579000000000 ] - [ -0.0002357100000000, 0.0000095400000000, 0.0001163300000000 ] - [ 0.0010399400000000, -0.0002085000000000, 0.0002014800000000 ] - [ 0.0002578500000000, 0.0001323700000000, -0.0000445100000000 ] - [ 0.0004697700000000, 0.0003618400000000, 0.0000985200000000 ] - [ -0.0002768900000000, 0.0001651600000000, 0.0001015800000000 ] - [ 0.0006608000000000, -0.0001209800000000, 0.0000116900000000 ] - [ 0.0004000000000000, -0.0000890400000000, 0.0000034400000000 ] - [ -0.0008940200000000, 0.0002414800000000, -0.0000334100000000 ] - [ -0.0003485000000000, -0.0002633400000000, -0.0001077100000000 ] - [ -0.0009426900000000, -0.0001299600000000, -0.0000577600000000 ] - [ -0.0003340700000000, -0.0000576900000000, -0.0000955500000000 ] - [ 0.0000689700000000, -0.0002002600000000, -0.0003021200000000 ] - [ -0.0009230000000000, 0.0001701800000000, 0.0000939400000000 ] - [ -0.0011418900000000, -0.0014683700000000, -0.0000962300000000 ] - [ -0.0001079300000000, 0.0002764000000000, 0.0000485200000000 ] - [ -0.0003426900000000, -0.0013607600000000, -0.0063850000000000 ] - [ -0.0000054400000000, -0.0000691200000000, 0.0000048700000000 ] - [ 0.0007014600000000, -0.0000396700000000, 0.0005871300000000 ] - [ -0.0001521300000000, -0.0001078900000000, 0.0004348900000000 ] - [ -0.0001824400000000, 0.0001948100000000, -0.0000349800000000 ] - [ -0.0001108300000000, 0.0000202800000000, -0.0006488900000000 ] - [ 0.0010654700000000, 0.0003649600000000, 0.0010258400000000 ] - [ -0.0003438100000000, 0.0001175200000000, 0.0004561000000000 ] - [ -0.0003748600000000, -0.0004672900000000, -0.0007954600000000 ] - [ -0.0002805600000000, 0.0003248900000000, -0.0000739000000000 ] - [ -0.0001312000000000, 0.0000648300000000, -0.0004000900000000 ] - [ -0.0000932500000000, 0.0001503700000000, -0.0005033500000000 ] - [ 0.0006739400000000, -0.0000225200000000, 0.0003198200000000 ] - [ -0.0003423800000000, -0.0001314400000000, 0.0004791100000000 ] - [ -0.0001531500000000, 0.0003216700000000, -0.0003979700000000 ] - [ -0.0002789100000000, -0.0005416900000000, -0.0005667500000000 ] - [ 0.0003135700000000, 0.0001015600000000, 0.0004777000000000 ] - [ -0.0000830900000000, 0.0001086200000000, 0.0004408400000000 ] - [ 0.0281044300000000, -0.0037566200000000, -0.0193376100000000 ] - [ -0.0003363300000000, -0.0002540000000000, -0.0002898800000000 ] - [ -0.0003811900000000, -0.0001317900000000, 0.0005991900000000 ] - [ -0.0003804400000000, 0.0005270100000000, -0.0001314500000000 ] - [ 0.0003505100000000, 0.0002209200000000, -0.0001581100000000 ] - [ -0.0002412700000000, 0.0002429700000000, -0.0002874200000000 ] - [ -0.0004557500000000, -0.0003724800000000, -0.0001984200000000 ] - [ -0.0003566600000000, -0.0000794500000000, 0.0008169800000000 ] - [ -0.0001025600000000, 0.0003981000000000, 0.0004324500000000 ] - [ -0.0000508800000000, 0.0000638100000000, 0.0001184100000000 ] - [ 0.0002289300000000, -0.0002800600000000, -0.0003077400000000 ] - [ -0.0002054200000000, -0.0002385700000000, -0.0003130200000000 ] - [ -0.0000051800000000, -0.0002302000000000, 0.0002645500000000 ] - [ -0.0000050300000000, -0.0002906900000000, 0.0003436000000000 ] - [ 0.0002917400000000, 0.0001879600000000, -0.0002458600000000 ] - [ -0.0001655400000000, 0.0002608800000000, -0.0002798600000000 ] - [ -0.0067360400000000, 0.0039950000000000, 0.0071335600000000 ] - [ -0.0005524400000000, -0.0002344400000000, -0.0000005800000000 ] - [ -0.0004710700000000, 0.0000734300000000, -0.0000366800000000 ] - [ -0.0007805100000000, 0.0017086200000000, -0.0004511700000000 ] - [ 0.0003776400000000, 0.0002905800000000, 0.0001583400000000 ] - [ -0.0003675600000000, 0.0001937000000000, 0.0001269300000000 ] - [ 0.0000879000000000, -0.0002308400000000, -0.0004662700000000 ] - [ -0.0004177700000000, -0.0002342600000000, -0.0000849900000000 ] - [ 0.0000504700000000, 0.0006401000000000, -0.0000831300000000 ] - [ -0.0004274700000000, 0.0001150200000000, -0.0001992500000000 ] - [ 0.0003335400000000, -0.0001520500000000, 0.0000262500000000 ] - [ -0.0003188900000000, -0.0002461700000000, 0.0001492500000000 ] - [ -0.0001263200000000, -0.0002232100000000, -0.0000932500000000 ] - [ 0.0001698000000000, -0.0002251700000000, -0.0000998100000000 ] - [ -0.0002821700000000, -0.0001128300000000, -0.0000023900000000 ] - [ -0.0007919800000000, -0.0001018600000000, 0.0000073300000000 ] - [ 0.0012605900000000, -0.0000729700000000, -0.0003340700000000 ] - [ 0.0009902000000000, 0.0000907200000000, 0.0004981500000000 ] - [ -0.0029202800000000, -0.0010989200000000, 0.0002871000000000 ] - [ 0.0003300800000000, 0.0001312500000000, -0.0000299200000000 ] - [ 0.0002400200000000, 0.0003633600000000, 0.0002372300000000 ] - [ 0.0002200700000000, -0.0000588800000000, -0.0001450700000000 ] - [ -0.0005407000000000, -0.0001712000000000, -0.0001538200000000 ] - [ 0.0004760600000000, -0.0001522800000000, -0.0001016500000000 ] - [ -0.0005020500000000, 0.0001038400000000, 0.0000032300000000 ] - [ 0.0004506200000000, 0.0001483900000000, -0.0000887700000000 ] - [ 0.0001768100000000, -0.0000948900000000, -0.0000002600000000 ] - [ 0.0001252500000000, -0.0002000200000000, 0.0001561300000000 ] - [ -0.0003500800000000, -0.0001135100000000, -0.0001009200000000 ] - [ 0.0000716000000000, -0.0001485500000000, -0.0000602800000000 ] - [ -0.0000574400000000, -0.0000594200000000, 0.0001761700000000 ] - [ 0.0000390600000000, 0.0004233500000000, -0.0000983400000000 ] - [ -0.0195035300000000, 0.0047059200000000, 0.0142178300000000 ] - [ 0.0006578400000000, -0.0001793700000000, -0.0000507100000000 ] - [ 0.0013312700000000, -0.0001529400000000, 0.0004276300000000 ] - [ 0.0012175600000000, -0.0003008300000000, -0.0002107600000000 ] - [ -0.0011476600000000, 0.0001516100000000, -0.0002858300000000 ] - [ 0.0016331900000000, 0.0001691400000000, -0.0002252900000000 ] - [ -0.0002895600000000, -0.0000331500000000, -0.0001120700000000 ] - [ 0.0014228800000000, -0.0002060800000000, -0.0001633500000000 ] - [ -0.0005864400000000, -0.0001093500000000, 0.0001198000000000 ] - [ -0.0006523000000000, -0.0001723300000000, 0.0001265600000000 ] - [ 0.0012457600000000, -0.0009215900000000, 0.0000523700000000 ] - [ 0.0012124000000000, 0.0014026300000000, 0.0004988500000000 ] - [ -0.0022871200000000, 0.0003777500000000, -0.0002428700000000 ] - [ 0.0001345200000000, 0.0001626400000000, -0.0001424900000000 ] - [ 0.0014123400000000, 0.0016626100000000, -0.0000478200000000 ] - [ 0.0016654200000000, -0.0019729800000000, 0.0002450200000000 ] - [ -0.0027699300000000, 0.0007450200000000, -0.0003019600000000 ] - [ 0.0006659700000000, 0.0001080500000000, -0.0000968300000000 ] - [ -0.0004799200000000, -0.0003995500000000, 0.0003873600000000 ] - [ 0.0003334600000000, 0.0000524100000000, -0.0001000300000000 ] - [ -0.0002469300000000, -0.0003828100000000, -0.0002194400000000 ] - [ 0.0002539100000000, 0.0000331600000000, 0.0000504700000000 ] - [ -0.0027648800000000, -0.0012774700000000, 0.0013844400000000 ] - [ 0.0006255500000000, -0.0000528900000000, 0.0000721000000000 ] - [ -0.0001478600000000, 0.0003184300000000, -0.0002736500000000 ] - [ 0.0002886200000000, -0.0001503100000000, 0.0000922100000000 ] - [ -0.0003263300000000, 0.0003081800000000, 0.0001540700000000 ] - [ 0.0003106300000000, -0.0001596900000000, -0.0000412100000000 ] - [ -0.0002561700000000, 0.0002765800000000, 0.0001304700000000 ] - [ 0.0002634700000000, -0.0000517300000000, -0.0000739800000000 ] - [ -0.0002408400000000, -0.0000120800000000, -0.0000645900000000 ] - [ 0.0002374100000000, 0.0000829900000000, 0.0000384000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000374100000000, 0.0001250200000000, -0.0000589900000000 ] - [ 0.0000291200000000, -0.0003256800000000, -0.0000810800000000 ] - [ -0.0000197700000000, 0.0006830300000000, 0.0001777400000000 ] - [ 0.0001220000000000, 0.0007976900000000, 0.0001919900000000 ] - [ -0.0001138800000000, 0.0015174300000000, -0.0000758900000000 ] - [ -0.0000219500000000, 0.0005826100000000, -0.0001314700000000 ] - [ -0.0000508000000000, -0.0000213900000000, 0.0000054100000000 ] - [ 0.0000678500000000, 0.0000016500000000, 0.0000390800000000 ] - [ 0.0000623600000000, 0.0001290700000000, 0.0000612900000000 ] - [ -0.0000600900000000, 0.0001142300000000, 0.0000267500000000 ] - [ -0.0000496000000000, -0.0013365600000000, 0.0008575800000000 ] - [ -0.0000256300000000, -0.0005807100000000, -0.0001250600000000 ] - [ 0.0002483600000000, -0.0012196200000000, 0.0001761100000000 ] - [ -0.0004896100000000, -0.0013739500000000, 0.0002801300000000 ] - [ 0.0016437000000000, -0.0008541400000000, -0.0079777800000000 ] - [ 0.0000056300000000, 0.0003112500000000, -0.0001071300000000 ] - [ -0.0000584400000000, -0.0000906300000000, -0.0000717300000000 ] - [ 0.0000501900000000, -0.0000578800000000, 0.0001077400000000 ] - [ 0.0001538300000000, 0.0002206700000000, -0.0000672000000000 ] - [ -0.0000205200000000, 0.0001798900000000, -0.0000674500000000 ] - [ 0.0000215500000000, 0.0016110800000000, -0.0005031200000000 ] - [ -0.0000687400000000, 0.0001372500000000, 0.0000779500000000 ] - [ -0.0003194600000000, 0.0000068000000000, -0.0001632600000000 ] - [ 0.0005018100000000, 0.0001229100000000, -0.0000972900000000 ] - [ -0.0001021000000000, 0.0000036000000000, -0.0000965300000000 ] - [ 0.0001550400000000, -0.0001273100000000, -0.0002579800000000 ] - [ 0.0000608200000000, 0.0003533000000000, 0.0004419100000000 ] - [ -0.0000445900000000, -0.0000237500000000, 0.0001192100000000 ] - [ 0.0003214900000000, 0.0003851200000000, -0.0002943900000000 ] - [ -0.0003968400000000, 0.0004135700000000, -0.0002153700000000 ] - [ 0.0008240000000000, 0.0096722900000000, 0.0064309700000000 ] - [ 0.0000298300000000, -0.0000234400000000, 0.0001165000000000 ] - [ 0.0006008100000000, 0.0004213100000000, -0.0001059900000000 ] - [ 0.0005258200000000, 0.0001506500000000, 0.0000012300000000 ] - [ -0.0001455000000000, 0.0003341900000000, 0.0000266600000000 ] - [ 0.0001349000000000, 0.0002643800000000, 0.0001084000000000 ] - [ 0.0005458000000000, 0.0001293400000000, 0.0000077500000000 ] - [ 0.0005396800000000, 0.0000100900000000, -0.0000031000000000 ] - [ -0.0006603200000000, 0.0001965700000000, -0.0000412300000000 ] - [ -0.0000011000000000, 0.0006351000000000, -0.0001295800000000 ] - [ -0.0006012700000000, -0.0002003300000000, -0.0000044100000000 ] - [ -0.0005591600000000, -0.0004171300000000, 0.0000882600000000 ] - [ -0.0001056700000000, -0.0000406200000000, 0.0003496200000000 ] - [ -0.0006098100000000, 0.0000383800000000, 0.0000449100000000 ] - [ 0.0036926000000000, 0.0008219600000000, -0.0000336800000000 ] - [ 0.0002637000000000, 0.0000173400000000, 0.0000322200000000 ] - [ 0.0023585600000000, -0.0029818000000000, 0.0015490200000000 ] - [ 0.0005024200000000, -0.0002045100000000, -0.0000034700000000 ] - [ 0.0001975400000000, 0.0009100600000000, 0.0024120000000000 ] - [ 0.0000954700000000, -0.0001317600000000, 0.0004974800000000 ] - [ -0.0000846800000000, -0.0000380200000000, -0.0001855800000000 ] - [ 0.0002375500000000, -0.0000557900000000, -0.0003485800000000 ] - [ -0.0002805400000000, -0.0005250800000000, 0.0018354500000000 ] - [ -0.0000710300000000, 0.0000503000000000, 0.0004276800000000 ] - [ 0.0002988800000000, 0.0000227300000000, -0.0001584500000000 ] - [ -0.0005184200000000, 0.0000514900000000, -0.0000891100000000 ] - [ -0.0000162700000000, 0.0002696200000000, -0.0005048300000000 ] - [ -0.0001489000000000, 0.0003114000000000, -0.0005411300000000 ] - [ -0.0001991900000000, 0.0004401600000000, -0.0003776700000000 ] - [ -0.0000547200000000, -0.0000990400000000, 0.0004286400000000 ] - [ -0.0000774200000000, -0.0000554100000000, -0.0005680200000000 ] - [ 0.0003860000000000, 0.0001011100000000, -0.0004565500000000 ] - [ 0.0000489800000000, 0.0005004700000000, 0.0003494300000000 ] - [ 0.0000895000000000, 0.0001806200000000, 0.0004571200000000 ] - [ 0.0034983700000000, -0.0503038200000000, -0.0350892100000000 ] - [ 0.0000246500000000, -0.0003496100000000, -0.0003012900000000 ] - [ 0.0002960400000000, -0.0000911800000000, -0.0000477700000000 ] - [ -0.0003625700000000, -0.0000914600000000, -0.0001160200000000 ] - [ 0.0000083500000000, 0.0000880800000000, -0.0002131500000000 ] - [ -0.0000133400000000, 0.0001818600000000, -0.0003017300000000 ] - [ -0.0001449700000000, -0.0004658300000000, 0.0001783200000000 ] - [ 0.0001479800000000, -0.0007087100000000, 0.0001508200000000 ] - [ -0.0001689200000000, 0.0004334600000000, 0.0003687600000000 ] - [ 0.0001650800000000, 0.0005129900000000, 0.0003619100000000 ] - [ -0.0000494500000000, 0.0003951000000000, -0.0002472000000000 ] - [ -0.0000081600000000, -0.0001501300000000, -0.0003031200000000 ] - [ 0.0000614500000000, -0.0000708700000000, 0.0003471400000000 ] - [ 0.0000004400000000, -0.0000710700000000, 0.0003207400000000 ] - [ -0.0000398600000000, 0.0004768000000000, -0.0002237400000000 ] - [ 0.0000328100000000, 0.0003020500000000, -0.0002798300000000 ] - [ -0.0051321800000000, -0.0018759000000000, 0.0027100200000000 ] - [ 0.0000890400000000, -0.0003394700000000, 0.0001012700000000 ] - [ 0.0002281300000000, 0.0001742800000000, -0.0001482700000000 ] - [ -0.0030096300000000, 0.0014312500000000, -0.0004986000000000 ] - [ -0.0003768100000000, 0.0001923000000000, 0.0004335200000000 ] - [ 0.0000267800000000, 0.0001805800000000, 0.0001220100000000 ] - [ -0.0000758800000000, -0.0004185800000000, -0.0001333200000000 ] - [ 0.0000764400000000, -0.0003105900000000, -0.0000971700000000 ] - [ -0.0008006100000000, 0.0006500100000000, -0.0002228400000000 ] - [ 0.0002066200000000, 0.0003009300000000, -0.0000719900000000 ] - [ -0.0000925800000000, 0.0002555500000000, 0.0000300100000000 ] - [ 0.0000091100000000, -0.0001301500000000, 0.0000936500000000 ] - [ 0.0000808400000000, -0.0001464600000000, -0.0001046800000000 ] - [ -0.0000500100000000, -0.0000237300000000, -0.0000731500000000 ] - [ -0.0004657200000000, 0.0003534500000000, -0.0000769700000000 ] - [ -0.0005451300000000, 0.0000158300000000, -0.0000063100000000 ] - [ 0.0004914700000000, 0.0003420000000000, 0.0000298300000000 ] - [ -0.0004969100000000, 0.0003950000000000, 0.0002158400000000 ] - [ 0.0006698200000000, 0.0098109900000000, -0.0010735800000000 ] - [ -0.0001042400000000, 0.0001974200000000, -0.0000616500000000 ] - [ -0.0000854300000000, 0.0002840100000000, -0.0000715700000000 ] - [ 0.0003707000000000, 0.0003180900000000, -0.0001072100000000 ] - [ 0.0001544800000000, 0.0004604600000000, -0.0003300000000000 ] - [ 0.0001016100000000, -0.0000657000000000, -0.0000731600000000 ] - [ 0.0004442600000000, -0.0016391100000000, 0.0005034300000000 ] - [ 0.0000825800000000, 0.0000899900000000, -0.0000680000000000 ] - [ 0.0000563600000000, -0.0004396000000000, 0.0000948000000000 ] - [ 0.0001656000000000, -0.0005192300000000, 0.0001095300000000 ] - [ -0.0000901300000000, -0.0005394500000000, -0.0000813800000000 ] - [ -0.0001307000000000, -0.0002256200000000, -0.0000706700000000 ] - [ -0.0000110100000000, 0.0000183700000000, 0.0001004400000000 ] - [ -0.0002862100000000, -0.0000826800000000, 0.0001678500000000 ] - [ -0.0054628400000000, 0.0299997500000000, 0.0339792600000000 ] - [ -0.0006930600000000, 0.0001634300000000, -0.0001188600000000 ] - [ 0.0008522400000000, 0.0004448800000000, 0.0000568900000000 ] - [ 0.0003904300000000, 0.0006890100000000, 0.0002387700000000 ] - [ 0.0003657500000000, 0.0002529900000000, -0.0028729100000000 ] - [ 0.0006795100000000, 0.0003480800000000, -0.0002087600000000 ] - [ 0.0008698500000000, -0.0028152300000000, 0.0002945300000000 ] - [ 0.0006671800000000, -0.0005167200000000, -0.0001204700000000 ] - [ -0.0008062600000000, -0.0007797900000000, 0.0001054700000000 ] - [ -0.0005904300000000, -0.0008644200000000, 0.0001351200000000 ] - [ 0.0016097000000000, -0.0005477600000000, 0.0003863200000000 ] - [ -0.0004166400000000, -0.0008285800000000, 0.0001223600000000 ] - [ -0.0005020800000000, -0.0008475900000000, 0.0005358300000000 ] - [ -0.0007814500000000, 0.0000136800000000, -0.0001593200000000 ] - [ -0.0031116000000000, 0.0005148600000000, 0.0006154400000000 ] - [ 0.0025791000000000, 0.0005078400000000, -0.0000231000000000 ] - [ -0.0013152700000000, 0.0020869000000000, -0.0005307800000000 ] - [ -0.0001117100000000, 0.0002938000000000, -0.0000626100000000 ] - [ 0.0004220000000000, 0.0000213900000000, 0.0005454000000000 ] - [ -0.0000886700000000, 0.0000090100000000, 0.0000615000000000 ] - [ 0.0003281900000000, -0.0004560900000000, -0.0003414100000000 ] - [ -0.0001317800000000, -0.0001208300000000, -0.0000428400000000 ] - [ 0.0021367500000000, 0.0034244500000000, -0.0017458400000000 ] - [ 0.0000792500000000, 0.0001718000000000, 0.0000056400000000 ] - [ -0.0003743000000000, -0.0003079300000000, 0.0003510000000000 ] - [ 0.0001080400000000, -0.0000602400000000, 0.0000862400000000 ] - [ -0.0004797700000000, -0.0004121700000000, -0.0006958300000000 ] - [ 0.0000873000000000, -0.0000717000000000, -0.0000368600000000 ] - [ -0.0002286500000000, -0.0006312500000000, -0.0001517700000000 ] - [ 0.0000917400000000, -0.0001454100000000, -0.0000467100000000 ] - [ 0.0001364900000000, -0.0006623000000000, -0.0000869200000000 ] - [ -0.0000599300000000, -0.0001169200000000, -0.0000042400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000865700000000, -0.0010258300000000, -0.0001605100000000 ] - [ 0.0000181100000000, -0.0005784600000000, -0.0001403100000000 ] - [ 0.0000779900000000, 0.0002193900000000, 0.0000386400000000 ] - [ -0.0000730500000000, 0.0001081400000000, 0.0000272600000000 ] - [ 0.0000561300000000, -0.0006145800000000, -0.0001429600000000 ] - [ -0.0000278000000000, 0.0003210900000000, -0.0000884400000000 ] - [ 0.0000044600000000, -0.0008806100000000, 0.0002151800000000 ] - [ -0.0001182000000000, -0.0009036400000000, 0.0001806000000000 ] - [ -0.0001120000000000, 0.0007704900000000, 0.0001576000000000 ] - [ 0.0000030300000000, 0.0007870100000000, 0.0001910200000000 ] - [ -0.0000092100000000, 0.0004371800000000, -0.0010640600000000 ] - [ -0.0000243400000000, -0.0003223500000000, -0.0000940700000000 ] - [ -0.0001876000000000, 0.0003213900000000, 0.0000351400000000 ] - [ 0.0005409700000000, 0.0004650000000000, -0.0000638900000000 ] - [ -0.0015772600000000, 0.0017087200000000, 0.0077272700000000 ] - [ 0.0000442100000000, 0.0005910800000000, -0.0001134900000000 ] - [ 0.0001330700000000, -0.0000062900000000, 0.0002868600000000 ] - [ 0.0000294400000000, -0.0000343200000000, 0.0001049600000000 ] - [ -0.0000726100000000, -0.0001272000000000, -0.0001451800000000 ] - [ 0.0000994400000000, -0.0000869700000000, -0.0001471300000000 ] - [ -0.0000986200000000, -0.0015097600000000, 0.0007106900000000 ] - [ -0.0000128600000000, -0.0000441600000000, 0.0001352400000000 ] - [ 0.0002435000000000, -0.0001025300000000, -0.0000527500000000 ] - [ -0.0005809900000000, -0.0002105500000000, -0.0001193500000000 ] - [ 0.0000256200000000, 0.0000953900000000, -0.0001129600000000 ] - [ -0.0002347200000000, 0.0002225900000000, 0.0000473000000000 ] - [ -0.0001390800000000, -0.0004471100000000, -0.0002278900000000 ] - [ -0.0000365900000000, -0.0000687100000000, 0.0000929600000000 ] - [ -0.0002394300000000, -0.0004774700000000, 0.0000796300000000 ] - [ 0.0004742800000000, -0.0005051100000000, 0.0000019300000000 ] - [ -0.0007625100000000, -0.0097410000000000, -0.0063628700000000 ] - [ 0.0000501300000000, 0.0001166500000000, 0.0000961100000000 ] - [ 0.0004948900000000, -0.0002204800000000, 0.0001180300000000 ] - [ 0.0005676500000000, 0.0000482900000000, 0.0000097800000000 ] - [ 0.0002111000000000, 0.0000967500000000, 0.0001813400000000 ] - [ -0.0000692000000000, 0.0001726000000000, 0.0001071000000000 ] - [ 0.0005468300000000, -0.0003307500000000, -0.0000212700000000 ] - [ 0.0005520300000000, -0.0002086000000000, -0.0000093100000000 ] - [ -0.0004356900000000, 0.0000036800000000, 0.0000289700000000 ] - [ -0.0010957400000000, -0.0004338800000000, 0.0001164800000000 ] - [ -0.0004942100000000, 0.0000019900000000, -0.0000092000000000 ] - [ -0.0005298800000000, 0.0002159900000000, -0.0000973800000000 ] - [ -0.0009877000000000, 0.0002452900000000, -0.0003304600000000 ] - [ -0.0004839600000000, 0.0001610400000000, -0.0000325500000000 ] - [ -0.0025742900000000, -0.0006126800000000, 0.0000143100000000 ] - [ 0.0008290500000000, 0.0001820200000000, -0.0000462100000000 ] - [ -0.0012330100000000, 0.0027996300000000, -0.0014948400000000 ] - [ 0.0005903100000000, 0.0000047000000000, 0.0000154600000000 ] - [ -0.0000249600000000, -0.0011338200000000, -0.0014824800000000 ] - [ 0.0000746800000000, -0.0000981400000000, 0.0004100600000000 ] - [ 0.0002563700000000, 0.0002806600000000, -0.0007189300000000 ] - [ -0.0000644700000000, 0.0002897100000000, -0.0005570800000000 ] - [ 0.0001051800000000, 0.0007809700000000, -0.0009138100000000 ] - [ -0.0000990000000000, 0.0001825900000000, 0.0004792800000000 ] - [ -0.0004673600000000, -0.0002526600000000, -0.0007517800000000 ] - [ 0.0003448900000000, -0.0002829700000000, -0.0008180600000000 ] - [ -0.0001545600000000, -0.0000380000000000, -0.0004043600000000 ] - [ -0.0000271100000000, -0.0000710700000000, -0.0003659300000000 ] - [ 0.0000211300000000, -0.0006876500000000, 0.0012897300000000 ] - [ -0.0001154400000000, -0.0001340900000000, 0.0004795400000000 ] - [ 0.0002564400000000, -0.0001913400000000, -0.0003419100000000 ] - [ -0.0002163800000000, -0.0003338400000000, -0.0004524700000000 ] - [ 0.0001273600000000, -0.0002601700000000, 0.0005542800000000 ] - [ 0.0000808700000000, 0.0000518100000000, 0.0004509200000000 ] - [ -0.0036138900000000, 0.0488852300000000, 0.0351249100000000 ] - [ 0.0000092300000000, -0.0001439300000000, -0.0002938700000000 ] - [ -0.0002630900000000, 0.0005830200000000, 0.0006412100000000 ] - [ 0.0003842600000000, 0.0005733200000000, 0.0007079300000000 ] - [ -0.0000304600000000, 0.0003947300000000, -0.0003813700000000 ] - [ -0.0000200800000000, 0.0003103900000000, -0.0002925900000000 ] - [ 0.0001251600000000, -0.0000164700000000, 0.0004268000000000 ] - [ -0.0001826000000000, 0.0002175900000000, 0.0004468100000000 ] - [ 0.0001458600000000, 0.0000523500000000, 0.0002282500000000 ] - [ -0.0002001800000000, -0.0000175800000000, 0.0002308400000000 ] - [ 0.0000168800000000, -0.0008886700000000, -0.0003468400000000 ] - [ -0.0000273400000000, -0.0003446500000000, -0.0002892500000000 ] - [ -0.0000253700000000, -0.0004220200000000, 0.0002453100000000 ] - [ 0.0000326600000000, -0.0004209800000000, 0.0002725600000000 ] - [ 0.0000637400000000, 0.0000076400000000, -0.0003730500000000 ] - [ 0.0000020500000000, 0.0001901200000000, -0.0003144400000000 ] - [ 0.0051755100000000, 0.0014834000000000, -0.0025031100000000 ] - [ -0.0000216700000000, -0.0000971300000000, 0.0001130700000000 ] - [ -0.0001636200000000, 0.0002601600000000, -0.0000658500000000 ] - [ 0.0030550700000000, -0.0009858900000000, 0.0002850500000000 ] - [ 0.0003076200000000, 0.0002401300000000, -0.0002250800000000 ] - [ -0.0000940800000000, 0.0002560600000000, 0.0000926800000000 ] - [ 0.0000127900000000, -0.0000134700000000, -0.0000658400000000 ] - [ -0.0001414000000000, -0.0001252300000000, -0.0001175100000000 ] - [ 0.0007390600000000, -0.0002179400000000, 0.0000146100000000 ] - [ -0.0002727200000000, 0.0001369400000000, -0.0001442900000000 ] - [ 0.0000257700000000, -0.0006889500000000, 0.0001841400000000 ] - [ -0.0000769400000000, -0.0003066900000000, 0.0001219200000000 ] - [ -0.0000141100000000, -0.0002895000000000, -0.0001113900000000 ] - [ 0.0001169300000000, -0.0004108200000000, -0.0001429000000000 ] - [ -0.0006219300000000, -0.0005545000000000, 0.0000887300000000 ] - [ -0.0005490400000000, -0.0002153700000000, 0.0000188000000000 ] - [ -0.0007252600000000, -0.0006321200000000, 0.0001087600000000 ] - [ 0.0002444600000000, -0.0006856100000000, -0.0000739600000000 ] - [ -0.0008150100000000, -0.0086841300000000, 0.0008595200000000 ] - [ -0.0001348000000000, 0.0000931400000000, -0.0000776300000000 ] - [ 0.0003255300000000, 0.0000080700000000, 0.0002093100000000 ] - [ -0.0001296600000000, -0.0000235900000000, 0.0002440900000000 ] - [ 0.0000896000000000, -0.0007550400000000, 0.0001842500000000 ] - [ 0.0001408200000000, -0.0002244100000000, -0.0000668500000000 ] - [ -0.0002027600000000, 0.0019351800000000, -0.0006441600000000 ] - [ 0.0001609300000000, 0.0001998400000000, -0.0000722700000000 ] - [ 0.0001833300000000, 0.0001484800000000, 0.0000423800000000 ] - [ 0.0000765600000000, 0.0002266600000000, 0.0000290900000000 ] - [ -0.0001524400000000, 0.0002454800000000, -0.0000577800000000 ] - [ -0.0001083600000000, -0.0000660500000000, -0.0000672400000000 ] - [ -0.0002332400000000, 0.0002759100000000, 0.0000387200000000 ] - [ 0.0000440900000000, 0.0003725500000000, -0.0000289200000000 ] - [ 0.0041556400000000, -0.0301800600000000, -0.0347445400000000 ] - [ -0.0006837500000000, -0.0005235500000000, -0.0001852100000000 ] - [ 0.0005247000000000, -0.0008178600000000, 0.0002436700000000 ] - [ 0.0009811100000000, -0.0010563900000000, 0.0000547200000000 ] - [ 0.0010092100000000, 0.0001248800000000, 0.0025343700000000 ] - [ 0.0006990200000000, 0.0000121100000000, -0.0000985100000000 ] - [ 0.0005002900000000, 0.0024381100000000, -0.0005943700000000 ] - [ 0.0007134300000000, 0.0001558900000000, -0.0001894200000000 ] - [ -0.0005714700000000, 0.0004121100000000, 0.0002002300000000 ] - [ -0.0007807500000000, 0.0004988500000000, 0.0001709600000000 ] - [ -0.0002398900000000, 0.0009187800000000, -0.0000812100000000 ] - [ 0.0017972800000000, 0.0011848400000000, 0.0001849200000000 ] - [ -0.0008707900000000, 0.0012187300000000, -0.0008462300000000 ] - [ -0.0005939000000000, 0.0003491900000000, -0.0001460000000000 ] - [ 0.0017253800000000, -0.0001420500000000, -0.0003044300000000 ] - [ -0.0039411100000000, -0.0001329800000000, 0.0003375000000000 ] - [ 0.0013232900000000, -0.0019837100000000, 0.0005444600000000 ] - [ 0.0001121400000000, -0.0001939200000000, 0.0000622600000000 ] - [ -0.0004257000000000, -0.0001108000000000, -0.0005464400000000 ] - [ 0.0000900000000000, -0.0001053900000000, -0.0000620200000000 ] - [ -0.0003289400000000, 0.0003553100000000, 0.0003409600000000 ] - [ 0.0001321400000000, 0.0000216700000000, 0.0000423600000000 ] - [ -0.0021918200000000, -0.0033553400000000, 0.0018048200000000 ] - [ -0.0000817100000000, -0.0000758700000000, -0.0000061100000000 ] - [ 0.0003741200000000, 0.0002194000000000, -0.0003517500000000 ] - [ -0.0001056100000000, -0.0000314700000000, -0.0000866300000000 ] - [ 0.0004830500000000, 0.0003122000000000, 0.0006970900000000 ] - [ -0.0000891100000000, -0.0000225100000000, 0.0000362400000000 ] - [ 0.0002239800000000, 0.0007251700000000, 0.0001499000000000 ] - [ -0.0000889900000000, 0.0002396600000000, 0.0000459500000000 ] - [ -0.0001358300000000, 0.0007583800000000, 0.0000851600000000 ] - [ 0.0000608000000000, 0.0002158800000000, 0.0000039000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000684400000000, -0.0006413500000000, 0.0000096600000000 ] - [ 0.0000068200000000, -0.0004844700000000, -0.0000838900000000 ] - [ -0.0000487600000000, 0.0005283400000000, 0.0002663400000000 ] - [ 0.0000954900000000, 0.0006197200000000, 0.0003366100000000 ] - [ -0.0000617700000000, 0.0010636100000000, -0.0001794000000000 ] - [ -0.0000117100000000, 0.0005082500000000, -0.0001623600000000 ] - [ -0.0000478100000000, -0.0003930000000000, -0.0000629400000000 ] - [ -0.0000197900000000, -0.0005131200000000, -0.0000414000000000 ] - [ -0.0001453300000000, 0.0006193500000000, 0.0005549900000000 ] - [ 0.0001325300000000, 0.0005328600000000, 0.0005447700000000 ] - [ 0.0002058800000000, 0.0012405200000000, 0.0035539600000000 ] - [ -0.0000234500000000, -0.0003976400000000, -0.0000490000000000 ] - [ 0.0002743800000000, -0.0003421600000000, -0.0005278400000000 ] - [ -0.0006396300000000, 0.0000390100000000, -0.0008004800000000 ] - [ -0.0030313800000000, -0.0083308900000000, 0.0101091500000000 ] - [ 0.0000233800000000, 0.0004536300000000, -0.0001559500000000 ] - [ 0.0001924600000000, -0.0004638700000000, 0.0009930200000000 ] - [ 0.0000357000000000, -0.0000684700000000, 0.0001800400000000 ] - [ 0.0000223600000000, 0.0001150300000000, 0.0001493300000000 ] - [ 0.0000265100000000, 0.0000875700000000, 0.0000496000000000 ] - [ -0.0000104100000000, -0.0002569900000000, -0.0003585500000000 ] - [ -0.0000406800000000, 0.0000601800000000, 0.0000594600000000 ] - [ -0.0003320700000000, 0.0002346100000000, -0.0005487900000000 ] - [ 0.0001523900000000, 0.0001929800000000, -0.0010155100000000 ] - [ 0.0000259100000000, -0.0000257200000000, 0.0002308700000000 ] - [ -0.0001492600000000, 0.0001362100000000, 0.0006731300000000 ] - [ 0.0000549000000000, 0.0003521600000000, 0.0006753400000000 ] - [ -0.0000361900000000, -0.0000031600000000, 0.0001647500000000 ] - [ 0.0000560200000000, 0.0001147700000000, -0.0004261300000000 ] - [ 0.0000432200000000, -0.0000281300000000, -0.0002962200000000 ] - [ 0.0008708400000000, 0.0081698000000000, -0.0011489800000000 ] - [ 0.0000173100000000, 0.0000585400000000, 0.0000323600000000 ] - [ 0.0006148500000000, -0.0003579800000000, 0.0003270900000000 ] - [ 0.0005643700000000, 0.0000605500000000, 0.0000454000000000 ] - [ 0.0002008800000000, 0.0000254000000000, 0.0005071300000000 ] - [ -0.0000139400000000, 0.0001878900000000, 0.0002220100000000 ] - [ 0.0004761000000000, -0.0000997800000000, 0.0002013400000000 ] - [ 0.0005826700000000, -0.0000831400000000, 0.0000620000000000 ] - [ -0.0005639800000000, 0.0001021300000000, -0.0001377700000000 ] - [ -0.0003344600000000, -0.0000317700000000, -0.0005729100000000 ] - [ -0.0005698300000000, -0.0001199600000000, 0.0001974800000000 ] - [ -0.0001201100000000, -0.0000599600000000, 0.0011293700000000 ] - [ -0.0000156300000000, 0.0007036300000000, 0.0006327700000000 ] - [ -0.0006403600000000, 0.0001516000000000, 0.0000705200000000 ] - [ 0.0016744000000000, 0.0006190800000000, -0.0010873200000000 ] - [ 0.0004230800000000, 0.0001760000000000, -0.0001549400000000 ] - [ 0.0089189600000000, 0.0012254500000000, 0.0060026800000000 ] - [ 0.0003530300000000, -0.0001077700000000, -0.0000400100000000 ] - [ 0.0001636100000000, 0.0014436100000000, 0.0011774400000000 ] - [ 0.0000792300000000, -0.0000782500000000, 0.0004351800000000 ] - [ -0.0003115700000000, 0.0000371000000000, 0.0003816200000000 ] - [ 0.0005175000000000, 0.0001571100000000, 0.0002363200000000 ] - [ -0.0006478300000000, 0.0018619700000000, 0.0037473300000000 ] - [ -0.0000698200000000, 0.0000812700000000, 0.0004529900000000 ] - [ 0.0000918600000000, 0.0000231300000000, -0.0005188300000000 ] - [ -0.0003255100000000, 0.0000815300000000, -0.0006684100000000 ] - [ -0.0002165100000000, 0.0000118300000000, -0.0003135300000000 ] - [ 0.0000377200000000, -0.0000318400000000, -0.0002996000000000 ] - [ 0.0000464100000000, -0.0010658800000000, 0.0006119100000000 ] - [ -0.0001118300000000, -0.0001728500000000, 0.0004678800000000 ] - [ 0.0003567800000000, -0.0006464200000000, -0.0009841300000000 ] - [ -0.0003880700000000, -0.0007417700000000, -0.0010287900000000 ] - [ 0.0000977300000000, -0.0000378100000000, 0.0004762700000000 ] - [ 0.0000810000000000, 0.0000974800000000, 0.0004392200000000 ] - [ 0.0183673200000000, -0.0341043900000000, -0.1318099800000000 ] - [ 0.0000103600000000, -0.0002535100000000, -0.0004791200000000 ] - [ -0.0004095000000000, -0.0001640800000000, -0.0003512500000000 ] - [ 0.0003217200000000, -0.0000929600000000, -0.0003491900000000 ] - [ 0.0001193500000000, 0.0001669200000000, 0.0016981400000000 ] - [ -0.0000077700000000, 0.0002521900000000, -0.0001752000000000 ] - [ 0.0004817800000000, -0.0001302000000000, 0.0011002200000000 ] - [ -0.0005369300000000, -0.0001005900000000, 0.0013467800000000 ] - [ -0.0001563100000000, 0.0003153500000000, 0.0001746400000000 ] - [ 0.0001350100000000, 0.0003209800000000, -0.0000220100000000 ] - [ -0.0000262900000000, -0.0001920200000000, -0.0006893000000000 ] - [ -0.0000374100000000, -0.0002554500000000, -0.0003629900000000 ] - [ 0.0000636100000000, -0.0002647600000000, 0.0004375300000000 ] - [ -0.0000109300000000, -0.0002979400000000, 0.0004527800000000 ] - [ -0.0000297200000000, 0.0001695300000000, 0.0003866000000000 ] - [ 0.0000259400000000, 0.0002380200000000, -0.0001548000000000 ] - [ -0.0092722900000000, 0.0026428500000000, 0.0003918100000000 ] - [ 0.0001566000000000, -0.0002189700000000, -0.0000168200000000 ] - [ 0.0000096300000000, 0.0002242800000000, -0.0002658000000000 ] - [ 0.0000817900000000, 0.0002542000000000, -0.0012492600000000 ] - [ -0.0005308700000000, 0.0006146200000000, 0.0009294800000000 ] - [ 0.0000047700000000, 0.0002578800000000, 0.0001840000000000 ] - [ 0.0001186100000000, -0.0002488900000000, 0.0008581700000000 ] - [ -0.0000765600000000, -0.0002264900000000, 0.0001489000000000 ] - [ -0.0005190600000000, 0.0004680800000000, -0.0006161500000000 ] - [ -0.0000523800000000, 0.0002159600000000, -0.0003128200000000 ] - [ 0.0001310100000000, -0.0001957300000000, -0.0000849200000000 ] - [ -0.0000766100000000, -0.0002087200000000, 0.0000782300000000 ] - [ 0.0000107000000000, -0.0002148600000000, -0.0000485900000000 ] - [ -0.0000197000000000, -0.0002086100000000, 0.0000741800000000 ] - [ -0.0006318400000000, -0.0000711900000000, -0.0000934100000000 ] - [ -0.0005113800000000, -0.0000826600000000, -0.0000337200000000 ] - [ 0.0013889000000000, 0.0000916000000000, 0.0001967800000000 ] - [ -0.0017034500000000, -0.0002283700000000, 0.0009130600000000 ] - [ -0.0007199100000000, -0.0027023600000000, 0.0041593600000000 ] - [ -0.0000973600000000, 0.0001269900000000, 0.0000063400000000 ] - [ -0.0001644300000000, -0.0000708800000000, -0.0001987600000000 ] - [ 0.0004231400000000, -0.0000320100000000, -0.0002388600000000 ] - [ 0.0000972000000000, 0.0000458000000000, -0.0021091000000000 ] - [ 0.0001098300000000, -0.0001307700000000, -0.0001745400000000 ] - [ 0.0002450300000000, -0.0004924300000000, 0.0011876400000000 ] - [ 0.0001420800000000, 0.0001619400000000, 0.0000162200000000 ] - [ 0.0002204100000000, -0.0001808600000000, 0.0001802200000000 ] - [ 0.0000249200000000, -0.0001632500000000, 0.0001872600000000 ] - [ -0.0001236400000000, -0.0001715500000000, -0.0004067800000000 ] - [ -0.0001161100000000, -0.0001536400000000, -0.0001234500000000 ] - [ -0.0002373700000000, 0.0003100200000000, -0.0000841100000000 ] - [ 0.0000984900000000, 0.0003995500000000, -0.0002549400000000 ] - [ -0.0137252700000000, 0.0306521100000000, 0.1056509000000000 ] - [ -0.0006392400000000, -0.0001535300000000, 0.0001180100000000 ] - [ 0.0006322600000000, -0.0000406900000000, -0.0019578700000000 ] - [ 0.0003388900000000, -0.0002711600000000, -0.0024342600000000 ] - [ 0.0002481500000000, -0.0031892800000000, -0.0048461100000000 ] - [ 0.0007016400000000, 0.0000554700000000, -0.0003563700000000 ] - [ 0.0005969600000000, -0.0003392400000000, 0.0004967800000000 ] - [ 0.0007069000000000, -0.0002194200000000, -0.0000235000000000 ] - [ -0.0005400800000000, -0.0001870500000000, -0.0003807900000000 ] - [ -0.0007287700000000, -0.0002177700000000, -0.0004013700000000 ] - [ 0.0010849700000000, 0.0000313400000000, 0.0014012600000000 ] - [ 0.0005326300000000, 0.0004672200000000, 0.0016898600000000 ] - [ -0.0010392900000000, 0.0014525700000000, -0.0017562100000000 ] - [ -0.0006287000000000, 0.0003030700000000, -0.0003852100000000 ] - [ -0.0012070400000000, 0.0001187400000000, 0.0017963300000000 ] - [ -0.0001914700000000, -0.0003494800000000, 0.0019589600000000 ] - [ -0.0005872700000000, 0.0002596000000000, 0.0012700000000000 ] - [ 0.0003681100000000, 0.0000140800000000, 0.0000727500000000 ] - [ -0.0008789700000000, 0.0010418100000000, -0.0009753600000000 ] - [ 0.0001203200000000, -0.0000434900000000, -0.0000654300000000 ] - [ 0.0003584600000000, -0.0006387800000000, -0.0005278800000000 ] - [ -0.0001137600000000, -0.0001404500000000, -0.0000434000000000 ] - [ -0.0005650000000000, -0.0000531600000000, 0.0018547000000000 ] - [ -0.0002738500000000, 0.0001394900000000, 0.0001266100000000 ] - [ 0.0007010000000000, 0.0008030800000000, -0.0007130900000000 ] - [ -0.0001271900000000, -0.0000054200000000, -0.0000394100000000 ] - [ -0.0005749800000000, -0.0010237000000000, -0.0009258600000000 ] - [ 0.0001059900000000, -0.0000632100000000, -0.0000848400000000 ] - [ -0.0001912700000000, -0.0003022800000000, 0.0001501800000000 ] - [ 0.0000601100000000, 0.0000112100000000, 0.0000156900000000 ] - [ 0.0000974600000000, -0.0001442500000000, 0.0001461500000000 ] - [ -0.0000191400000000, 0.0000242000000000, 0.0000226200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000200000000000, -0.0002840900000000, -0.0002299700000000 ] - [ 0.0000361400000000, -0.0004322700000000, -0.0001360600000000 ] - [ 0.0000984800000000, 0.0004157800000000, -0.0000302900000000 ] - [ -0.0000702300000000, 0.0003224100000000, -0.0000946300000000 ] - [ 0.0000118000000000, -0.0001205800000000, -0.0000528600000000 ] - [ -0.0000143600000000, 0.0004349100000000, -0.0000787500000000 ] - [ 0.0000001700000000, -0.0005329300000000, 0.0002827100000000 ] - [ -0.0000240700000000, -0.0004028400000000, 0.0002597200000000 ] - [ 0.0000969200000000, 0.0002997500000000, -0.0003319000000000 ] - [ -0.0001801800000000, 0.0003817000000000, -0.0003209500000000 ] - [ -0.0002521800000000, -0.0021365000000000, -0.0037218700000000 ] - [ -0.0000229300000000, -0.0005180400000000, -0.0001694000000000 ] - [ -0.0002272600000000, -0.0005694200000000, 0.0007419300000000 ] - [ 0.0006949800000000, -0.0009521600000000, 0.0010145300000000 ] - [ 0.0031477200000000, 0.0094427500000000, -0.0105000700000000 ] - [ 0.0000241500000000, 0.0004590200000000, -0.0000658100000000 ] - [ -0.0001137100000000, 0.0003766700000000, -0.0007611000000000 ] - [ 0.0000372800000000, -0.0000236900000000, 0.0000385500000000 ] - [ 0.0000548700000000, -0.0000268800000000, -0.0003625700000000 ] - [ 0.0000481800000000, 0.0000055100000000, -0.0002620900000000 ] - [ -0.0000671500000000, 0.0003393600000000, 0.0005772300000000 ] - [ -0.0000340300000000, 0.0000306400000000, 0.0001547200000000 ] - [ 0.0002535000000000, -0.0003165000000000, 0.0003169800000000 ] - [ -0.0002232500000000, -0.0002832200000000, 0.0007949000000000 ] - [ -0.0001055500000000, 0.0000950300000000, -0.0004440100000000 ] - [ 0.0000749600000000, -0.0000515000000000, -0.0008839500000000 ] - [ -0.0001288900000000, -0.0004351800000000, -0.0004564100000000 ] - [ -0.0000378100000000, -0.0000840500000000, 0.0000531500000000 ] - [ 0.0000172700000000, -0.0002019300000000, 0.0002067700000000 ] - [ 0.0000345600000000, -0.0000632400000000, 0.0000791100000000 ] - [ -0.0008018100000000, -0.0081545000000000, 0.0014268400000000 ] - [ 0.0000563000000000, 0.0000271300000000, 0.0001818100000000 ] - [ 0.0004748700000000, 0.0005555900000000, -0.0003148400000000 ] - [ 0.0005224400000000, 0.0001379000000000, -0.0000299400000000 ] - [ -0.0001114200000000, 0.0004123700000000, -0.0002696200000000 ] - [ 0.0000955300000000, 0.0002513800000000, 0.0000292500000000 ] - [ 0.0005921100000000, -0.0000871000000000, -0.0002011200000000 ] - [ 0.0005034600000000, -0.0001044500000000, -0.0000664200000000 ] - [ -0.0005231500000000, 0.0000979100000000, 0.0001255800000000 ] - [ -0.0007516800000000, 0.0002310900000000, 0.0005539400000000 ] - [ -0.0005131900000000, -0.0000816900000000, -0.0002096400000000 ] - [ -0.0009720600000000, -0.0001437900000000, -0.0011384800000000 ] - [ -0.0010724100000000, -0.0004968400000000, -0.0006184700000000 ] - [ -0.0004506500000000, 0.0000501700000000, -0.0000566300000000 ] - [ -0.0006042500000000, -0.0004258800000000, 0.0010670500000000 ] - [ 0.0006723600000000, 0.0000270300000000, 0.0001395800000000 ] - [ -0.0079852400000000, -0.0014402700000000, -0.0060615700000000 ] - [ 0.0007368300000000, -0.0000964400000000, 0.0000526600000000 ] - [ 0.0000102300000000, -0.0016564900000000, -0.0002898200000000 ] - [ 0.0000936400000000, -0.0001414700000000, 0.0004604000000000 ] - [ 0.0004740900000000, 0.0001690900000000, -0.0012594200000000 ] - [ -0.0003553800000000, 0.0000399600000000, -0.0011214000000000 ] - [ 0.0004845900000000, -0.0016532200000000, -0.0028442000000000 ] - [ -0.0000938400000000, 0.0001166000000000, 0.0004340100000000 ] - [ -0.0002656500000000, -0.0002451700000000, -0.0003826900000000 ] - [ 0.0001522900000000, -0.0003045100000000, -0.0002350500000000 ] - [ 0.0000423400000000, 0.0002162700000000, -0.0005676500000000 ] - [ -0.0002099000000000, 0.0002555000000000, -0.0005971800000000 ] - [ -0.0002188300000000, 0.0008417200000000, 0.0002754700000000 ] - [ -0.0000617500000000, -0.0000509900000000, 0.0004301200000000 ] - [ -0.0001825200000000, 0.0004212800000000, 0.0000913800000000 ] - [ 0.0005585700000000, 0.0005129800000000, 0.0001259100000000 ] - [ 0.0000764800000000, 0.0002660400000000, 0.0004105700000000 ] - [ 0.0000918300000000, 0.0001267800000000, 0.0004602000000000 ] - [ -0.0193617600000000, 0.0361722500000000, 0.1372968000000000 ] - [ 0.0000221700000000, -0.0002445000000000, -0.0001139500000000 ] - [ 0.0004389200000000, 0.0006590200000000, 0.0009427500000000 ] - [ -0.0002870300000000, 0.0005920700000000, 0.0009430900000000 ] - [ -0.0001500600000000, 0.0003301400000000, -0.0022805100000000 ] - [ -0.0000239100000000, 0.0002429400000000, -0.0004128600000000 ] - [ -0.0005114300000000, -0.0003661400000000, -0.0005039700000000 ] - [ 0.0005015300000000, -0.0003947600000000, -0.0007535900000000 ] - [ 0.0001197700000000, 0.0001763400000000, 0.0003854100000000 ] - [ -0.0001919300000000, 0.0001828600000000, 0.0005762400000000 ] - [ -0.0000042800000000, -0.0002994000000000, 0.0001077600000000 ] - [ 0.0000009200000000, -0.0002431900000000, -0.0002267600000000 ] - [ -0.0000311500000000, -0.0002244500000000, 0.0001386300000000 ] - [ 0.0000463600000000, -0.0001982600000000, 0.0001390000000000 ] - [ 0.0000651700000000, 0.0003201200000000, -0.0009471200000000 ] - [ 0.0000315800000000, 0.0002644500000000, -0.0003968500000000 ] - [ 0.0094470700000000, -0.0031116400000000, -0.0001258400000000 ] - [ -0.0000829400000000, -0.0002210200000000, 0.0002372400000000 ] - [ 0.0000643300000000, 0.0002155500000000, 0.0000423300000000 ] - [ 0.0000140400000000, 0.0001723400000000, 0.0010271600000000 ] - [ 0.0004535700000000, -0.0001714100000000, -0.0007037300000000 ] - [ -0.0000798300000000, 0.0001813500000000, 0.0000400500000000 ] - [ -0.0001993800000000, -0.0002018500000000, -0.0010701100000000 ] - [ 0.0000011100000000, -0.0002132800000000, -0.0003688500000000 ] - [ 0.0004265100000000, -0.0000271500000000, 0.0003777400000000 ] - [ -0.0000299400000000, 0.0002233800000000, 0.0000619500000000 ] - [ -0.0002133000000000, -0.0002480100000000, 0.0003099800000000 ] - [ -0.0000043300000000, -0.0002286200000000, 0.0001455600000000 ] - [ 0.0000736100000000, -0.0002274500000000, -0.0001778900000000 ] - [ 0.0000988100000000, -0.0002276600000000, -0.0002955500000000 ] - [ -0.0004364600000000, -0.0001171800000000, 0.0000969400000000 ] - [ -0.0005734200000000, -0.0001062100000000, 0.0000393000000000 ] - [ -0.0016210700000000, -0.0003789900000000, -0.0000515200000000 ] - [ 0.0014724800000000, -0.0000529100000000, -0.0007714600000000 ] - [ 0.0004857000000000, 0.0029837000000000, -0.0042701700000000 ] - [ -0.0001375400000000, 0.0001597600000000, -0.0001470200000000 ] - [ 0.0003971100000000, 0.0003575100000000, 0.0003407000000000 ] - [ -0.0001863300000000, 0.0003197700000000, 0.0003814400000000 ] - [ 0.0001391600000000, -0.0003298200000000, 0.0019580400000000 ] - [ 0.0001217100000000, -0.0001495200000000, 0.0000264800000000 ] - [ -0.0000089900000000, 0.0007762500000000, -0.0013255700000000 ] - [ 0.0000869900000000, 0.0001287700000000, -0.0001422900000000 ] - [ 0.0000139400000000, -0.0001129300000000, -0.0000427000000000 ] - [ 0.0002150400000000, -0.0001389100000000, -0.0000419700000000 ] - [ -0.0001115100000000, -0.0001248700000000, 0.0002664400000000 ] - [ -0.0001239500000000, -0.0001502700000000, -0.0000210500000000 ] - [ 0.0000008300000000, -0.0000168300000000, 0.0002264700000000 ] - [ -0.0003254300000000, -0.0001069200000000, 0.0003809000000000 ] - [ 0.0133660200000000, -0.0335434500000000, -0.1121192600000000 ] - [ -0.0007388500000000, -0.0001933900000000, -0.0004099400000000 ] - [ 0.0007534200000000, -0.0003001100000000, 0.0022591600000000 ] - [ 0.0010486500000000, -0.0000770600000000, 0.0027243200000000 ] - [ 0.0011252800000000, 0.0035127000000000, 0.0045254500000000 ] - [ 0.0006773400000000, 0.0003029600000000, 0.0000451800000000 ] - [ 0.0007720800000000, -0.0000401200000000, -0.0008011300000000 ] - [ 0.0006719900000000, -0.0001673800000000, -0.0002803900000000 ] - [ -0.0008324300000000, -0.0001975400000000, 0.0006804600000000 ] - [ -0.0006487700000000, -0.0001712000000000, 0.0007055000000000 ] - [ 0.0003063500000000, 0.0003337600000000, -0.0010651700000000 ] - [ 0.0008512600000000, -0.0000940700000000, -0.0013449400000000 ] - [ -0.0003511300000000, -0.0010807600000000, 0.0014250700000000 ] - [ -0.0007586300000000, 0.0000671700000000, 0.0000461300000000 ] - [ -0.0001566100000000, 0.0002407000000000, -0.0014837600000000 ] - [ -0.0012090900000000, 0.0007114800000000, -0.0016443000000000 ] - [ 0.0006410200000000, -0.0001833900000000, -0.0012223600000000 ] - [ -0.0003676300000000, 0.0000855200000000, -0.0000708800000000 ] - [ 0.0008837300000000, -0.0011444700000000, 0.0009720400000000 ] - [ -0.0001215300000000, -0.0000547500000000, 0.0000640100000000 ] - [ -0.0003594900000000, 0.0005387700000000, 0.0005262700000000 ] - [ 0.0001139600000000, 0.0000096900000000, 0.0000430000000000 ] - [ 0.0005021900000000, 0.0000952600000000, -0.0017947000000000 ] - [ 0.0002713200000000, -0.0000445100000000, -0.0001258800000000 ] - [ -0.0007039300000000, -0.0009007600000000, 0.0007123100000000 ] - [ 0.0001271400000000, -0.0000933700000000, 0.0000384500000000 ] - [ 0.0005918400000000, 0.0009449000000000, 0.0009238000000000 ] - [ -0.0001249700000000, -0.0000172700000000, 0.0000851100000000 ] - [ 0.0001873300000000, 0.0003936100000000, -0.0001479400000000 ] - [ -0.0000566200000000, 0.0000806100000000, -0.0000147000000000 ] - [ -0.0000962200000000, 0.0002403300000000, -0.0001449300000000 ] - [ 0.0000188800000000, 0.0000792400000000, -0.0000212800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000184800000000, -0.0005810600000000, -0.0001261200000000 ] - [ -0.0000321000000000, -0.0003180800000000, -0.0000766400000000 ] - [ 0.0004416900000000, 0.0005867600000000, 0.0001646900000000 ] - [ -0.0002459600000000, 0.0003926600000000, 0.0000967800000000 ] - [ -0.0000716000000000, 0.0001680000000000, -0.0000831300000000 ] - [ -0.0001420800000000, 0.0008179400000000, -0.0001562100000000 ] - [ 0.0003393500000000, -0.0004284500000000, 0.0001123900000000 ] - [ -0.0002535300000000, -0.0004678500000000, 0.0001003600000000 ] - [ 0.0008367100000000, 0.0005921500000000, -0.0001169700000000 ] - [ -0.0003595600000000, 0.0004831600000000, 0.0001147000000000 ] - [ -0.0001436900000000, -0.0002679600000000, 0.0000024800000000 ] - [ -0.0001113300000000, -0.0006385500000000, -0.0002100600000000 ] - [ 0.0029772800000000, -0.0009832600000000, 0.0003531300000000 ] - [ -0.0004271300000000, -0.0003884600000000, 0.0001212600000000 ] - [ -0.0012509800000000, 0.0021755900000000, -0.0006257900000000 ] - [ -0.0013521900000000, -0.0012039800000000, 0.0001700600000000 ] - [ -0.0000502700000000, -0.0002414900000000, 0.0000070200000000 ] - [ -0.0000621700000000, 0.0001552800000000, 0.0002110500000000 ] - [ 0.0003118600000000, 0.0001236100000000, -0.0001325700000000 ] - [ -0.0001704800000000, 0.0000225700000000, -0.0000923900000000 ] - [ -0.0000827900000000, 0.0003952000000000, 0.0001086100000000 ] - [ -0.0001228000000000, -0.0002074900000000, 0.0000994500000000 ] - [ 0.0025661000000000, -0.0022666600000000, 0.0012465400000000 ] - [ -0.0004888100000000, -0.0001607600000000, -0.0000704500000000 ] - [ 0.0005895100000000, -0.0001807400000000, -0.0002938500000000 ] - [ -0.0003411100000000, 0.0000812400000000, -0.0001165000000000 ] - [ -0.0000265300000000, 0.0001137500000000, 0.0000819800000000 ] - [ -0.0001026300000000, -0.0001801400000000, 0.0001305100000000 ] - [ 0.0004799300000000, 0.0001517400000000, -0.0000497500000000 ] - [ -0.0002270200000000, -0.0000290000000000, -0.0001152000000000 ] - [ -0.0013856200000000, -0.0014591800000000, 0.0004630500000000 ] - [ -0.0010149100000000, 0.0017050400000000, -0.0005469000000000 ] - [ 0.0002912700000000, -0.0000062100000000, -0.0000051200000000 ] - [ 0.0007331200000000, 0.0002388600000000, -0.0000062200000000 ] - [ 0.0002347800000000, 0.0001058900000000, 0.0000656000000000 ] - [ -0.0002760000000000, 0.0002628800000000, 0.0001150200000000 ] - [ 0.0009202900000000, -0.0001269200000000, -0.0001058700000000 ] - [ 0.0002425700000000, -0.0000740800000000, 0.0000517400000000 ] - [ -0.0002305600000000, 0.0004630300000000, -0.0001621300000000 ] - [ -0.0009959200000000, -0.0000019500000000, 0.0000116200000000 ] - [ 0.0007635200000000, 0.0000378600000000, 0.0009048400000000 ] - [ -0.0011701200000000, -0.0001077700000000, -0.0001779100000000 ] - [ -0.0003408100000000, 0.0002506500000000, 0.0000411300000000 ] - [ -0.0008509400000000, 0.0000420600000000, 0.0000291500000000 ] - [ 0.0016922400000000, 0.0009165100000000, 0.0004943400000000 ] - [ -0.0000657000000000, -0.0000488400000000, -0.0000369900000000 ] - [ -0.0006616500000000, -0.0000116000000000, -0.0001546200000000 ] - [ 0.0060889300000000, 0.0008477500000000, -0.0018068500000000 ] - [ 0.0000323600000000, 0.0000667400000000, 0.0005655000000000 ] - [ 0.0000340900000000, -0.0002660100000000, 0.0003192900000000 ] - [ 0.0025853900000000, 0.0008311100000000, 0.0004552500000000 ] - [ -0.0003754400000000, 0.0000942100000000, -0.0003891600000000 ] - [ -0.0013210600000000, -0.0005707400000000, -0.0012004200000000 ] - [ -0.0013705400000000, 0.0008985500000000, 0.0018155300000000 ] - [ 0.0003814700000000, -0.0002255400000000, -0.0005323200000000 ] - [ -0.0003536900000000, -0.0001056400000000, -0.0004554600000000 ] - [ 0.0002674200000000, 0.0000819200000000, -0.0004154100000000 ] - [ -0.0003288600000000, 0.0001276100000000, -0.0004754000000000 ] - [ -0.0001579300000000, -0.0003498000000000, 0.0006938600000000 ] - [ -0.0002034900000000, 0.0000689000000000, 0.0002610800000000 ] - [ 0.0007257100000000, -0.0001273700000000, -0.0008274000000000 ] - [ -0.0002219400000000, -0.0001088400000000, -0.0004397700000000 ] - [ 0.0000264600000000, 0.0001628300000000, 0.0004144600000000 ] - [ 0.0000258800000000, 0.0000390000000000, 0.0004727400000000 ] - [ -0.0013555100000000, 0.0003559200000000, 0.0011997200000000 ] - [ -0.0010939900000000, -0.0006248900000000, -0.0019026500000000 ] - [ 0.0028153500000000, -0.0005026000000000, 0.0009158700000000 ] - [ -0.0004233000000000, 0.0002375800000000, 0.0002843900000000 ] - [ -0.0001256300000000, 0.0005003300000000, -0.0006079300000000 ] - [ -0.0001410500000000, 0.0000472500000000, -0.0000287500000000 ] - [ 0.0006356300000000, -0.0002855400000000, 0.0002824000000000 ] - [ -0.0003750900000000, -0.0002315100000000, 0.0003048100000000 ] - [ 0.0005927100000000, 0.0005751300000000, 0.0004263200000000 ] - [ -0.0003550800000000, 0.0002147600000000, 0.0003354000000000 ] - [ -0.0000301800000000, -0.0002972300000000, -0.0002102500000000 ] - [ -0.0000829800000000, -0.0001902500000000, -0.0004071900000000 ] - [ 0.0002563000000000, -0.0002221400000000, 0.0003095100000000 ] - [ -0.0001679400000000, -0.0002627800000000, 0.0003014000000000 ] - [ -0.0000334300000000, 0.0001436400000000, -0.0004190100000000 ] - [ -0.0001334400000000, 0.0004167900000000, -0.0000966300000000 ] - [ 0.0072467400000000, 0.0012824200000000, -0.0019153300000000 ] - [ -0.0011406500000000, -0.0001469200000000, -0.0000776700000000 ] - [ 0.0011522500000000, -0.0005570800000000, -0.0004717700000000 ] - [ -0.0005903100000000, 0.0003341800000000, -0.0000101600000000 ] - [ -0.0003262100000000, 0.0003010900000000, 0.0001108100000000 ] - [ 0.0001890300000000, 0.0001337800000000, 0.0001961800000000 ] - [ 0.0006072000000000, -0.0001940100000000, -0.0003077300000000 ] - [ -0.0005761800000000, -0.0002467900000000, -0.0001024000000000 ] - [ 0.0013313200000000, -0.0004075700000000, 0.0002874800000000 ] - [ -0.0006257300000000, 0.0003477700000000, -0.0002241300000000 ] - [ -0.0002863000000000, -0.0002147000000000, 0.0001627300000000 ] - [ 0.0001708400000000, -0.0002213400000000, 0.0000682600000000 ] - [ 0.0003301500000000, -0.0002340400000000, -0.0001204800000000 ] - [ -0.0002424800000000, -0.0001987700000000, -0.0000979700000000 ] - [ -0.0003275000000000, -0.0000958200000000, 0.0000254900000000 ] - [ -0.0008311500000000, -0.0000975100000000, 0.0000149400000000 ] - [ -0.0282834200000000, 0.0014807000000000, 0.0007059800000000 ] - [ 0.0007856500000000, -0.0001147400000000, 0.0000054400000000 ] - [ 0.0002327000000000, -0.0006469000000000, -0.0004639900000000 ] - [ 0.0002325800000000, 0.0008796500000000, 0.0003338600000000 ] - [ -0.0003386200000000, 0.0001075800000000, 0.0000935500000000 ] - [ 0.0004601000000000, 0.0001389100000000, 0.0000929000000000 ] - [ 0.0003977800000000, -0.0002246500000000, 0.0005019400000000 ] - [ 0.0003394900000000, -0.0000612900000000, -0.0006409500000000 ] - [ 0.0002132600000000, 0.0007270400000000, -0.0003169700000000 ] - [ 0.0003677500000000, -0.0003892200000000, 0.0001810700000000 ] - [ -0.0002775900000000, -0.0002178500000000, 0.0000533700000000 ] - [ 0.0004258100000000, -0.0001414800000000, 0.0000918900000000 ] - [ -0.0000874500000000, -0.0001355700000000, -0.0000209000000000 ] - [ -0.0000867400000000, -0.0001687900000000, -0.0001219300000000 ] - [ -0.0005393600000000, 0.0001527300000000, 0.0001308900000000 ] - [ 0.0002044600000000, 0.0001526600000000, 0.0000460100000000 ] - [ 0.0096201100000000, -0.0006590300000000, 0.0007978600000000 ] - [ 0.0089351700000000, -0.0008863000000000, 0.0009790400000000 ] - [ -0.0032479600000000, -0.0004943500000000, 0.0008343400000000 ] - [ 0.0022245000000000, -0.0001640500000000, 0.0002123600000000 ] - [ 0.0008826100000000, -0.0004057000000000, -0.0000911900000000 ] - [ 0.0008970400000000, 0.0006741000000000, -0.0002612600000000 ] - [ 0.0008217200000000, -0.0002181900000000, -0.0002431000000000 ] - [ 0.0008672200000000, -0.0002550200000000, -0.0000480100000000 ] - [ -0.0017550000000000, -0.0002892800000000, 0.0001651900000000 ] - [ 0.0001420000000000, -0.0001617000000000, 0.0001273300000000 ] - [ -0.0024697300000000, -0.0007768500000000, 0.0003862700000000 ] - [ 0.0020561400000000, 0.0002576200000000, 0.0002033600000000 ] - [ -0.0005607100000000, 0.0007191900000000, -0.0001735400000000 ] - [ -0.0004154500000000, -0.0003210400000000, -0.0002357800000000 ] - [ -0.0064930700000000, 0.0005825100000000, -0.0005351200000000 ] - [ 0.0008781500000000, 0.0001689700000000, 0.0000887400000000 ] - [ -0.0004603600000000, 0.0001565600000000, -0.0018955600000000 ] - [ 0.0006123900000000, 0.0000097800000000, 0.0003185000000000 ] - [ 0.0005581100000000, -0.0003405600000000, 0.0001760500000000 ] - [ -0.0003950300000000, 0.0013420700000000, -0.0008326300000000 ] - [ -0.0003860100000000, 0.0010745800000000, 0.0005238000000000 ] - [ 0.0005274500000000, -0.0003151400000000, -0.0000953700000000 ] - [ 0.0006094100000000, 0.0001818300000000, -0.0002972900000000 ] - [ -0.0002830300000000, -0.0003298200000000, 0.0014283400000000 ] - [ -0.0003611200000000, -0.0009217400000000, 0.0004294800000000 ] - [ 0.0004902600000000, 0.0001842700000000, -0.0001400700000000 ] - [ 0.0006221600000000, 0.0003029100000000, 0.0002185000000000 ] - [ -0.0002470200000000, -0.0017746500000000, -0.0012274300000000 ] - [ -0.0002578400000000, -0.0000786000000000, -0.0000551400000000 ] - [ 0.0002531500000000, 0.0000925100000000, 0.0000207000000000 ] - [ 0.0002241400000000, 0.0000453500000000, -0.0000347700000000 ] - [ -0.0002156600000000, 0.0000351700000000, 0.0000669600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000232500000000, -0.0003261800000000, -0.0000883900000000 ] - [ 0.0000702500000000, -0.0005923000000000, -0.0001422600000000 ] - [ -0.0004043300000000, 0.0003250900000000, 0.0000558000000000 ] - [ 0.0002887700000000, 0.0005270900000000, 0.0001226900000000 ] - [ 0.0000308900000000, 0.0007545600000000, -0.0001389900000000 ] - [ 0.0001005900000000, 0.0000913000000000, -0.0000617400000000 ] - [ -0.0003783900000000, -0.0004806000000000, 0.0001068000000000 ] - [ 0.0002096400000000, -0.0004412700000000, 0.0001150600000000 ] - [ -0.0008860900000000, 0.0003197700000000, 0.0003297200000000 ] - [ 0.0002951100000000, 0.0004239400000000, 0.0001001400000000 ] - [ 0.0000954400000000, -0.0006571600000000, -0.0002229500000000 ] - [ 0.0000668000000000, -0.0002690200000000, -0.0000051100000000 ] - [ -0.0029368200000000, 0.0000779500000000, -0.0001321300000000 ] - [ 0.0004788900000000, -0.0005350000000000, 0.0000968300000000 ] - [ 0.0013267200000000, -0.0012756500000000, 0.0004119700000000 ] - [ 0.0013968300000000, 0.0021096400000000, -0.0003870800000000 ] - [ 0.0001238200000000, 0.0001556600000000, 0.0002118200000000 ] - [ 0.0001361100000000, -0.0002478300000000, 0.0000043800000000 ] - [ -0.0002374600000000, -0.0000322200000000, -0.0000800100000000 ] - [ 0.0002557000000000, 0.0000451500000000, -0.0001211900000000 ] - [ -0.0000025100000000, -0.0003307000000000, 0.0001062200000000 ] - [ 0.0000466100000000, 0.0002995900000000, 0.0001131400000000 ] - [ -0.0026804000000000, 0.0021880900000000, -0.0014713100000000 ] - [ 0.0004148100000000, 0.0000747600000000, -0.0001495300000000 ] - [ -0.0006628300000000, 0.0002667500000000, 0.0000729100000000 ] - [ 0.0002648800000000, 0.0000066900000000, -0.0001002900000000 ] - [ -0.0000552000000000, -0.0001918200000000, 0.0001514200000000 ] - [ 0.0000275100000000, 0.0000917800000000, 0.0000879000000000 ] - [ -0.0004070200000000, -0.0002339000000000, -0.0001679200000000 ] - [ 0.0003077300000000, -0.0000485600000000, -0.0001195000000000 ] - [ 0.0014634800000000, 0.0015483500000000, -0.0002472700000000 ] - [ 0.0010824300000000, -0.0016084300000000, 0.0007614000000000 ] - [ 0.0007982600000000, 0.0002027500000000, 0.0000174300000000 ] - [ 0.0003561300000000, -0.0000449800000000, 0.0000166500000000 ] - [ -0.0001702500000000, 0.0003289200000000, 0.0001641900000000 ] - [ 0.0003410100000000, 0.0001708600000000, 0.0001117900000000 ] - [ 0.0001636400000000, -0.0000668700000000, 0.0000968800000000 ] - [ 0.0008346600000000, -0.0001193300000000, -0.0000614100000000 ] - [ -0.0008529100000000, -0.0002720600000000, 0.0001535200000000 ] - [ -0.0000932500000000, 0.0001996600000000, -0.0000244300000000 ] - [ -0.0018474300000000, -0.0002370800000000, -0.0009157300000000 ] - [ 0.0000936300000000, -0.0000910400000000, 0.0001674700000000 ] - [ -0.0007448500000000, -0.0000547900000000, -0.0000316700000000 ] - [ -0.0002325200000000, 0.0001570300000000, -0.0000142500000000 ] - [ -0.0006261100000000, -0.0007229500000000, -0.0005071900000000 ] - [ 0.0011497900000000, 0.0002483400000000, 0.0000251600000000 ] - [ 0.0017445600000000, -0.0001905300000000, 0.0001665100000000 ] - [ -0.0043120200000000, -0.0009930100000000, 0.0016896700000000 ] - [ 0.0001354900000000, -0.0002926600000000, 0.0003270300000000 ] - [ 0.0001371000000000, 0.0000447900000000, 0.0005806200000000 ] - [ -0.0023998300000000, -0.0005920900000000, -0.0013261100000000 ] - [ 0.0005471700000000, 0.0001358700000000, -0.0004936400000000 ] - [ 0.0011597100000000, 0.0008017000000000, 0.0020876500000000 ] - [ 0.0011996500000000, -0.0006748000000000, -0.0009128000000000 ] - [ -0.0005528100000000, 0.0000077200000000, -0.0003643600000000 ] - [ 0.0001857100000000, -0.0001186500000000, -0.0004366700000000 ] - [ -0.0004450400000000, 0.0001401400000000, -0.0004868200000000 ] - [ 0.0001543400000000, 0.0001015400000000, -0.0004175400000000 ] - [ -0.0000137400000000, 0.0001263000000000, 0.0002061700000000 ] - [ 0.0000293100000000, -0.0002967500000000, 0.0006408200000000 ] - [ -0.0005556700000000, -0.0000992700000000, -0.0000678100000000 ] - [ 0.0003943100000000, -0.0001180600000000, -0.0004623800000000 ] - [ 0.0001462800000000, 0.0000666300000000, 0.0004770300000000 ] - [ 0.0001510900000000, 0.0001832600000000, 0.0004290300000000 ] - [ 0.0013939200000000, -0.0008418800000000, -0.0017890600000000 ] - [ 0.0011259200000000, 0.0001267900000000, 0.0012933100000000 ] - [ -0.0027682000000000, 0.0009689600000000, -0.0003095000000000 ] - [ 0.0004410200000000, 0.0002499500000000, 0.0003148100000000 ] - [ 0.0001059200000000, -0.0000155700000000, 0.0000092200000000 ] - [ 0.0001040600000000, 0.0004468100000000, -0.0005695200000000 ] - [ -0.0006790800000000, -0.0002091300000000, 0.0003154900000000 ] - [ 0.0003423900000000, -0.0002533600000000, 0.0002867000000000 ] - [ -0.0006395700000000, -0.0000844100000000, 0.0001633200000000 ] - [ 0.0003118000000000, 0.0002795000000000, 0.0002616400000000 ] - [ -0.0000112900000000, -0.0001984200000000, -0.0003911100000000 ] - [ 0.0000388200000000, -0.0003069600000000, -0.0001914200000000 ] - [ -0.0002123800000000, -0.0002728900000000, 0.0002880700000000 ] - [ 0.0002076000000000, -0.0002323400000000, 0.0002995400000000 ] - [ 0.0000786200000000, 0.0003500100000000, -0.0001741600000000 ] - [ 0.0001757300000000, 0.0000766500000000, -0.0005005000000000 ] - [ -0.0079711000000000, -0.0018341000000000, 0.0022972000000000 ] - [ 0.0012065700000000, -0.0002865700000000, 0.0002956000000000 ] - [ -0.0010734200000000, 0.0009922500000000, 0.0002483900000000 ] - [ 0.0006704300000000, 0.0001010500000000, -0.0001960800000000 ] - [ 0.0002461800000000, 0.0001334200000000, 0.0000977700000000 ] - [ -0.0002545200000000, 0.0003018900000000, 0.0000251300000000 ] - [ -0.0006887500000000, -0.0002384100000000, 0.0000815300000000 ] - [ 0.0005054300000000, -0.0001913900000000, -0.0001192200000000 ] - [ -0.0014074200000000, 0.0008435000000000, -0.0005185800000000 ] - [ 0.0005587800000000, 0.0000877400000000, -0.0000033300000000 ] - [ 0.0002037600000000, -0.0002322400000000, 0.0000571200000000 ] - [ -0.0002358700000000, -0.0002123400000000, 0.0001588100000000 ] - [ -0.0002628200000000, -0.0001989200000000, -0.0001072800000000 ] - [ 0.0003240200000000, -0.0002490300000000, -0.0001224300000000 ] - [ -0.0007492900000000, -0.0000956600000000, -0.0000178500000000 ] - [ -0.0002542100000000, -0.0000998600000000, -0.0000043700000000 ] - [ 0.0282181400000000, -0.0016749200000000, -0.0006056800000000 ] - [ -0.0010214000000000, -0.0001598900000000, 0.0001301200000000 ] - [ -0.0004800400000000, 0.0009353500000000, 0.0003103900000000 ] - [ -0.0004714400000000, -0.0005925500000000, -0.0004724300000000 ] - [ 0.0005785100000000, 0.0001779400000000, 0.0000464000000000 ] - [ -0.0002153100000000, 0.0001461300000000, 0.0000624500000000 ] - [ -0.0001659100000000, -0.0000499900000000, -0.0006399600000000 ] - [ -0.0000997400000000, -0.0002231800000000, 0.0004973100000000 ] - [ 0.0000256300000000, -0.0004453200000000, 0.0001798700000000 ] - [ -0.0001283100000000, 0.0006747400000000, -0.0003185500000000 ] - [ 0.0005163300000000, -0.0000711700000000, 0.0000860000000000 ] - [ -0.0001810000000000, -0.0001551500000000, 0.0000431600000000 ] - [ -0.0001584300000000, -0.0001638400000000, -0.0001152600000000 ] - [ -0.0001521800000000, -0.0001202900000000, -0.0000160400000000 ] - [ 0.0002997200000000, 0.0001366900000000, 0.0000059500000000 ] - [ -0.0004458800000000, 0.0001337400000000, 0.0000928000000000 ] - [ -0.0110692900000000, 0.0003152300000000, -0.0011006200000000 ] - [ -0.0102580500000000, 0.0005293100000000, -0.0012919100000000 ] - [ 0.0046294800000000, 0.0001282400000000, -0.0004941200000000 ] - [ -0.0008397200000000, -0.0001726000000000, 0.0000972100000000 ] - [ 0.0004796500000000, 0.0007648500000000, -0.0001862800000000 ] - [ 0.0004732800000000, -0.0003166500000000, -0.0000491200000000 ] - [ 0.0005500300000000, -0.0001553500000000, -0.0000831300000000 ] - [ 0.0005046100000000, -0.0001089300000000, -0.0002621800000000 ] - [ 0.0003811500000000, -0.0000793900000000, 0.0001430600000000 ] - [ -0.0015167500000000, -0.0002089300000000, 0.0002005100000000 ] - [ 0.0038570000000000, 0.0011718300000000, -0.0000847400000000 ] - [ -0.0006791900000000, 0.0001052300000000, 0.0001102300000000 ] - [ -0.0008173500000000, -0.0003582300000000, -0.0001422500000000 ] - [ -0.0009621200000000, 0.0006907300000000, -0.0000751300000000 ] - [ 0.0051240300000000, -0.0002737200000000, 0.0008117600000000 ] - [ -0.0022438300000000, 0.0001847700000000, 0.0001915800000000 ] - [ 0.0004661500000000, -0.0000548600000000, 0.0019009300000000 ] - [ -0.0006116800000000, 0.0000894200000000, -0.0003166600000000 ] - [ -0.0005534300000000, 0.0002730400000000, -0.0001707000000000 ] - [ 0.0003883200000000, -0.0014366300000000, 0.0008307900000000 ] - [ 0.0003900600000000, -0.0011762700000000, -0.0005241700000000 ] - [ -0.0005269100000000, 0.0002162100000000, 0.0000935800000000 ] - [ -0.0006131300000000, -0.0000836200000000, 0.0002979500000000 ] - [ 0.0002792900000000, 0.0004249700000000, -0.0014247400000000 ] - [ 0.0003509200000000, 0.0008279200000000, -0.0004289500000000 ] - [ -0.0004755500000000, -0.0002780000000000, 0.0001393600000000 ] - [ -0.0006267300000000, -0.0003934200000000, -0.0002188900000000 ] - [ 0.0002422800000000, 0.0016751500000000, 0.0012235700000000 ] - [ 0.0002558600000000, 0.0001712600000000, 0.0000539000000000 ] - [ -0.0002510000000000, 0.0000001500000000, -0.0000207800000000 ] - [ -0.0002243800000000, 0.0000469200000000, 0.0000345800000000 ] - [ 0.0002146900000000, 0.0000619700000000, -0.0000678100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000109600000000, -0.0007718700000000, -0.0001752000000000 ] - [ 0.0000914100000000, -0.0007280300000000, -0.0001760300000000 ] - [ -0.0000262300000000, -0.0003112400000000, -0.0001663800000000 ] - [ 0.0000175400000000, 0.0003287000000000, 0.0000834400000000 ] - [ -0.0002100300000000, 0.0000136700000000, -0.0000537800000000 ] - [ 0.0002389600000000, -0.0001341100000000, -0.0000263500000000 ] - [ -0.0001183500000000, -0.0017500400000000, 0.0004627500000000 ] - [ -0.0000311400000000, -0.0005736900000000, 0.0001380400000000 ] - [ -0.0000579500000000, 0.0018501300000000, 0.0011859600000000 ] - [ -0.0000487300000000, 0.0005838200000000, 0.0001388600000000 ] - [ 0.0000236500000000, -0.0001542200000000, -0.0000681600000000 ] - [ -0.0000308500000000, -0.0000786300000000, -0.0000674500000000 ] - [ -0.0000521300000000, 0.0022094700000000, -0.0010715300000000 ] - [ 0.0000094500000000, -0.0003238800000000, 0.0000799400000000 ] - [ 0.0006292100000000, 0.0014094400000000, -0.0002436500000000 ] - [ -0.0002942400000000, 0.0008560500000000, -0.0001248900000000 ] - [ -0.0000757300000000, 0.0000809300000000, 0.0000877100000000 ] - [ 0.0001944100000000, 0.0000551800000000, 0.0000435400000000 ] - [ -0.0000083500000000, -0.0004115000000000, -0.0000655700000000 ] - [ 0.0000212100000000, -0.0000456900000000, -0.0001091000000000 ] - [ 0.0002630000000000, -0.0005213800000000, 0.0001727500000000 ] - [ -0.0002173600000000, -0.0003427600000000, 0.0001496400000000 ] - [ -0.0031002800000000, 0.0106904900000000, -0.0051726500000000 ] - [ -0.0000567500000000, 0.0000130000000000, -0.0001035000000000 ] - [ 0.0000533000000000, 0.0002024800000000, -0.0006135900000000 ] - [ -0.0000602700000000, 0.0001355400000000, -0.0001058600000000 ] - [ 0.0000647200000000, -0.0001792900000000, 0.0001448300000000 ] - [ -0.0001472200000000, -0.0002202800000000, 0.0001067200000000 ] - [ 0.0003421200000000, -0.0023928200000000, -0.0004586500000000 ] - [ 0.0000328200000000, -0.0001119800000000, -0.0001075100000000 ] - [ -0.0002697800000000, 0.0002738700000000, 0.0001147600000000 ] - [ 0.0006805500000000, 0.0009482100000000, -0.0000760400000000 ] - [ 0.0004282400000000, 0.0000474200000000, -0.0000167900000000 ] - [ 0.0007810700000000, -0.0000214200000000, 0.0000737000000000 ] - [ -0.0002436400000000, 0.0001332400000000, -0.0000049800000000 ] - [ 0.0001875700000000, 0.0002085300000000, 0.0001037700000000 ] - [ 0.0005604400000000, -0.0005659000000000, -0.0000075300000000 ] - [ 0.0005592400000000, -0.0002067100000000, -0.0000005500000000 ] - [ 0.0007908600000000, -0.0010469000000000, 0.0007220900000000 ] - [ -0.0006517800000000, 0.0000624900000000, 0.0000070800000000 ] - [ -0.0000615600000000, 0.0007991800000000, -0.0000127900000000 ] - [ -0.0005587700000000, 0.0000064400000000, -0.0000156800000000 ] - [ -0.0002726100000000, 0.0001891900000000, -0.0001486300000000 ] - [ -0.0006707500000000, 0.0001491000000000, 0.0000244400000000 ] - [ 0.0022814700000000, -0.0004705100000000, -0.0014160600000000 ] - [ 0.0004096200000000, 0.0001211900000000, -0.0000227200000000 ] - [ 0.0005396200000000, 0.0001283100000000, 0.0000135900000000 ] - [ 0.0006782100000000, 0.0021721900000000, -0.0001796600000000 ] - [ 0.0002607700000000, -0.0001524700000000, 0.0003223000000000 ] - [ -0.0001323400000000, -0.0001702400000000, 0.0002393400000000 ] - [ 0.0009280800000000, 0.0045248500000000, 0.0022422800000000 ] - [ 0.0000769500000000, 0.0002109600000000, -0.0004757200000000 ] - [ -0.0004125100000000, 0.0005322900000000, 0.0003937200000000 ] - [ -0.0000577300000000, 0.0006133100000000, 0.0006892700000000 ] - [ -0.0001551900000000, -0.0008768800000000, -0.0015810100000000 ] - [ -0.0000806900000000, -0.0001331500000000, -0.0004717100000000 ] - [ -0.0000764200000000, -0.0005764700000000, -0.0001518900000000 ] - [ -0.0000872100000000, 0.0000274900000000, -0.0004182500000000 ] - [ -0.0002752700000000, -0.0000928400000000, 0.0006180200000000 ] - [ 0.0000700300000000, -0.0001001600000000, 0.0005288100000000 ] - [ -0.0002002500000000, -0.0003838200000000, 0.0013526500000000 ] - [ 0.0000900900000000, -0.0000994600000000, -0.0004397300000000 ] - [ 0.0002143700000000, -0.0002111500000000, 0.0003787300000000 ] - [ -0.0000469000000000, -0.0002814900000000, 0.0003622900000000 ] - [ -0.0000584800000000, 0.0002419400000000, -0.0000625000000000 ] - [ -0.0002172700000000, 0.0002949200000000, -0.0003879000000000 ] - [ -0.0012615700000000, 0.0099160700000000, -0.0025814600000000 ] - [ -0.0000069700000000, 0.0002913900000000, 0.0002812800000000 ] - [ 0.0001969200000000, 0.0004105700000000, -0.0001219400000000 ] - [ -0.0002340600000000, 0.0003835000000000, -0.0000859900000000 ] - [ -0.0000414900000000, 0.0003610900000000, 0.0001105300000000 ] - [ -0.0000228600000000, -0.0001642300000000, 0.0002944800000000 ] - [ 0.0000197400000000, -0.0015361100000000, -0.0003396200000000 ] - [ -0.0000197200000000, 0.0001921100000000, 0.0003137300000000 ] - [ -0.0000693500000000, -0.0006181100000000, -0.0003028000000000 ] - [ 0.0000340600000000, -0.0005396600000000, -0.0003299900000000 ] - [ -0.0000165700000000, -0.0006373400000000, 0.0003191000000000 ] - [ 0.0000176900000000, -0.0003237900000000, 0.0002922700000000 ] - [ -0.0001884800000000, 0.0001193600000000, -0.0004598900000000 ] - [ 0.0002919900000000, 0.0000177500000000, -0.0005498800000000 ] - [ 0.0009469500000000, 0.0020230600000000, -0.0003083400000000 ] - [ 0.0000578200000000, -0.0000073300000000, 0.0001172500000000 ] - [ -0.0018289700000000, -0.0009293900000000, -0.0008541800000000 ] - [ 0.0001650300000000, 0.0002376500000000, -0.0001207800000000 ] - [ 0.0000859600000000, 0.0002349600000000, 0.0000959500000000 ] - [ -0.0002922400000000, 0.0002679800000000, 0.0002353800000000 ] - [ -0.0004297700000000, 0.0002660400000000, -0.0005428500000000 ] - [ -0.0000204900000000, -0.0001283600000000, -0.0001071300000000 ] - [ -0.0015091300000000, -0.0009247000000000, 0.0002486900000000 ] - [ 0.0000842100000000, 0.0001996000000000, -0.0000871800000000 ] - [ 0.0000079000000000, -0.0003743900000000, 0.0000971600000000 ] - [ -0.0001413300000000, -0.0007745500000000, 0.0001129000000000 ] - [ 0.0000411100000000, -0.0005240500000000, -0.0000696900000000 ] - [ 0.0000522800000000, -0.0003021300000000, -0.0001047000000000 ] - [ -0.0006310400000000, -0.0007100100000000, 0.0000148700000000 ] - [ -0.0005418700000000, -0.0002813300000000, 0.0000027400000000 ] - [ 0.0014286800000000, -0.0425564600000000, -0.0001745700000000 ] - [ -0.0000962400000000, -0.0002587000000000, 0.0000650100000000 ] - [ -0.0008572600000000, 0.0001182400000000, -0.0000207600000000 ] - [ 0.0006722000000000, 0.0001167300000000, 0.0001076300000000 ] - [ 0.0000864600000000, 0.0000524100000000, 0.0003451400000000 ] - [ 0.0001147100000000, 0.0001201000000000, 0.0000691800000000 ] - [ 0.0002074500000000, -0.0004777000000000, -0.0000306300000000 ] - [ 0.0000409900000000, -0.0004847600000000, -0.0000870500000000 ] - [ 0.0007070500000000, 0.0003561500000000, -0.0002085700000000 ] - [ -0.0004105200000000, 0.0002946600000000, -0.0001021300000000 ] - [ 0.0001931600000000, 0.0012143200000000, 0.0000237800000000 ] - [ 0.0001188500000000, -0.0000366300000000, 0.0000734200000000 ] - [ -0.0001456000000000, 0.0001577800000000, -0.0000874900000000 ] - [ -0.0001110800000000, 0.0001571700000000, -0.0000988000000000 ] - [ -0.0001298700000000, 0.0004455000000000, -0.0001448800000000 ] - [ -0.0001316200000000, 0.0001750300000000, 0.0000719800000000 ] - [ -0.0000012100000000, -0.0025657600000000, -0.0000515000000000 ] - [ -0.0002909800000000, -0.0025473100000000, -0.0000575000000000 ] - [ 0.0002633400000000, -0.0045225300000000, 0.0018272300000000 ] - [ 0.0007132800000000, -0.0005238900000000, 0.0001619300000000 ] - [ 0.0001486400000000, -0.0000517200000000, -0.0001399100000000 ] - [ 0.0012659300000000, -0.0000567600000000, -0.0002195600000000 ] - [ 0.0006319300000000, 0.0012848600000000, -0.0001255500000000 ] - [ 0.0007574700000000, 0.0012490300000000, -0.0000920200000000 ] - [ -0.0006569200000000, 0.0016503200000000, -0.0000092000000000 ] - [ -0.0006982600000000, 0.0001567300000000, 0.0001324700000000 ] - [ 0.0013503700000000, 0.0087888700000000, -0.0038707800000000 ] - [ 0.0006862200000000, 0.0002724100000000, 0.0001021000000000 ] - [ -0.0001373900000000, 0.0004622400000000, -0.0000448200000000 ] - [ -0.0012491000000000, 0.0004318200000000, -0.0000066100000000 ] - [ -0.0003250700000000, 0.0114848000000000, 0.0112323200000000 ] - [ -0.0006741300000000, 0.0001043200000000, 0.0002115200000000 ] - [ -0.0000274200000000, -0.0012988900000000, -0.0001040500000000 ] - [ -0.0000125000000000, -0.0001370300000000, 0.0000205900000000 ] - [ -0.0001639100000000, -0.0000829700000000, -0.0000193100000000 ] - [ 0.0015061300000000, 0.0009286700000000, -0.0015094700000000 ] - [ 0.0009818000000000, 0.0010127100000000, 0.0009809800000000 ] - [ -0.0001774400000000, -0.0000180900000000, -0.0000023900000000 ] - [ 0.0000557300000000, -0.0001097500000000, -0.0000210800000000 ] - [ -0.0004068400000000, -0.0012453500000000, -0.0006174500000000 ] - [ -0.0010322600000000, 0.0011012100000000, -0.0010437600000000 ] - [ 0.0001840000000000, 0.0000332900000000, -0.0000301800000000 ] - [ 0.0001806300000000, -0.0000666500000000, 0.0000285900000000 ] - [ -0.0016671900000000, 0.0010056700000000, 0.0014731700000000 ] - [ -0.0001644000000000, 0.0008108500000000, 0.0002042300000000 ] - [ 0.0000407600000000, 0.0002165500000000, 0.0000119300000000 ] - [ -0.0000242700000000, 0.0002132500000000, 0.0000053600000000 ] - [ 0.0000447200000000, 0.0008065900000000, 0.0000205000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000230100000000, -0.0001475000000000, -0.0000578000000000 ] - [ -0.0000414400000000, -0.0001762600000000, -0.0000452000000000 ] - [ 0.0000767200000000, 0.0012192400000000, 0.0003880900000000 ] - [ 0.0000316100000000, 0.0005756600000000, 0.0001356300000000 ] - [ 0.0001599500000000, 0.0008921200000000, -0.0001664100000000 ] - [ -0.0002909900000000, 0.0010413900000000, -0.0001956400000000 ] - [ 0.0000659000000000, 0.0008478400000000, -0.0002435100000000 ] - [ -0.0000034100000000, -0.0003460300000000, 0.0000947700000000 ] - [ 0.0000068100000000, -0.0009373800000000, -0.0009621000000000 ] - [ -0.0000095600000000, 0.0003240000000000, 0.0000814900000000 ] - [ -0.0000747700000000, -0.0007487600000000, -0.0001518300000000 ] - [ -0.0000199900000000, -0.0008263100000000, -0.0001537200000000 ] - [ 0.0001082400000000, -0.0030715500000000, 0.0013377800000000 ] - [ 0.0000410800000000, -0.0005796900000000, 0.0001402000000000 ] - [ -0.0005710500000000, -0.0004929300000000, 0.0000203900000000 ] - [ 0.0003485100000000, 0.0000562100000000, -0.0000978100000000 ] - [ 0.0001560300000000, -0.0001765800000000, 0.0001238700000000 ] - [ -0.0001134800000000, -0.0001469000000000, 0.0001702000000000 ] - [ 0.0000901700000000, 0.0005034900000000, -0.0001483700000000 ] - [ 0.0000600900000000, 0.0001413000000000, -0.0001058300000000 ] - [ -0.0003435400000000, 0.0006147900000000, 0.0000431100000000 ] - [ 0.0001335500000000, 0.0004345900000000, 0.0000648100000000 ] - [ 0.0032041900000000, -0.0115185100000000, 0.0054133300000000 ] - [ -0.0000243300000000, -0.0001070300000000, -0.0001096700000000 ] - [ -0.0001325200000000, -0.0001189700000000, 0.0003949200000000 ] - [ -0.0000203800000000, -0.0000455800000000, -0.0001084000000000 ] - [ -0.0001471300000000, 0.0000891200000000, 0.0000656900000000 ] - [ 0.0000640300000000, 0.0001304900000000, 0.0001063900000000 ] - [ -0.0002590100000000, 0.0022999400000000, 0.0002449000000000 ] - [ 0.0000491500000000, 0.0000216000000000, -0.0001047100000000 ] - [ 0.0003458600000000, -0.0001923700000000, 0.0001014900000000 ] - [ -0.0006007000000000, -0.0008665700000000, 0.0002919100000000 ] - [ 0.0006617500000000, 0.0001416100000000, 0.0000216600000000 ] - [ 0.0003115300000000, 0.0002214300000000, -0.0000624700000000 ] - [ 0.0003104500000000, 0.0003035100000000, 0.0002171500000000 ] - [ -0.0001171800000000, 0.0002297400000000, 0.0001096200000000 ] - [ 0.0005315900000000, 0.0003676200000000, -0.0000042800000000 ] - [ 0.0005356900000000, 0.0000080200000000, -0.0000130000000000 ] - [ -0.0018824900000000, 0.0012452700000000, -0.0007345200000000 ] - [ -0.0004374800000000, 0.0001270500000000, -0.0000125800000000 ] - [ -0.0010287000000000, -0.0009980400000000, -0.0000027300000000 ] - [ -0.0005317800000000, -0.0002071600000000, 0.0000033800000000 ] - [ -0.0008219900000000, 0.0000119600000000, 0.0001600900000000 ] - [ -0.0004223500000000, 0.0000513400000000, -0.0000132400000000 ] - [ -0.0011848200000000, 0.0006708900000000, 0.0013963300000000 ] - [ 0.0006844200000000, 0.0000802200000000, 0.0000097200000000 ] - [ 0.0005466900000000, -0.0003292900000000, -0.0000022100000000 ] - [ 0.0003935700000000, -0.0023836700000000, 0.0002009100000000 ] - [ -0.0001007400000000, -0.0000650600000000, 0.0005763800000000 ] - [ 0.0003005200000000, -0.0000601900000000, 0.0006640800000000 ] - [ -0.0007688300000000, -0.0042845600000000, -0.0032375100000000 ] - [ 0.0000907900000000, 0.0000211600000000, -0.0004288700000000 ] - [ 0.0002405700000000, -0.0003029500000000, 0.0005035100000000 ] - [ -0.0001070000000000, -0.0003861300000000, 0.0002090200000000 ] - [ -0.0000140300000000, 0.0006478100000000, 0.0006737000000000 ] - [ -0.0000792400000000, -0.0000850600000000, -0.0004276100000000 ] - [ -0.0000929300000000, 0.0008088700000000, -0.0007515100000000 ] - [ -0.0000852600000000, 0.0002121400000000, -0.0004870400000000 ] - [ 0.0001058400000000, -0.0001422200000000, 0.0002884500000000 ] - [ -0.0002389500000000, -0.0001324600000000, 0.0003744900000000 ] - [ 0.0003660400000000, 0.0001510300000000, -0.0022569900000000 ] - [ 0.0000789300000000, -0.0001349100000000, -0.0004669800000000 ] - [ -0.0000418400000000, 0.0004507400000000, 0.0005247000000000 ] - [ 0.0002145100000000, 0.0005143400000000, 0.0005423400000000 ] - [ 0.0000866900000000, -0.0007297800000000, -0.0005248400000000 ] - [ 0.0002530700000000, -0.0007847700000000, -0.0001989100000000 ] - [ 0.0011993600000000, -0.0085817600000000, 0.0031011100000000 ] - [ 0.0000303900000000, 0.0001950600000000, 0.0003101600000000 ] - [ -0.0002207700000000, 0.0000749500000000, -0.0004700000000000 ] - [ 0.0002009400000000, 0.0001082500000000, -0.0005070800000000 ] - [ 0.0000079000000000, -0.0008497500000000, 0.0004802600000000 ] - [ -0.0000105600000000, -0.0003252700000000, 0.0002980500000000 ] - [ -0.0000546400000000, 0.0020336300000000, 0.0009265200000000 ] - [ -0.0000149800000000, 0.0003015900000000, 0.0002818900000000 ] - [ 0.0000206800000000, 0.0001250500000000, -0.0002672900000000 ] - [ -0.0000673000000000, 0.0000478300000000, -0.0002636300000000 ] - [ 0.0000481000000000, 0.0001480400000000, 0.0002726400000000 ] - [ 0.0000318100000000, -0.0001686200000000, 0.0002784400000000 ] - [ 0.0002227500000000, 0.0003719500000000, -0.0001361200000000 ] - [ -0.0002597500000000, 0.0004733100000000, -0.0000401800000000 ] - [ -0.0008519900000000, -0.0024435600000000, 0.0005128300000000 ] - [ 0.0000144800000000, -0.0004318700000000, 0.0000955700000000 ] - [ 0.0018941400000000, 0.0013642800000000, 0.0006344300000000 ] - [ -0.0000891400000000, 0.0002023300000000, -0.0000861100000000 ] - [ -0.0001623600000000, 0.0002045700000000, 0.0001106400000000 ] - [ 0.0002196300000000, 0.0001719400000000, -0.0000223700000000 ] - [ 0.0003545900000000, -0.0007037000000000, 0.0003256300000000 ] - [ -0.0000503200000000, -0.0003097400000000, -0.0001060400000000 ] - [ 0.0014397800000000, 0.0013691900000000, -0.0004668100000000 ] - [ -0.0001514400000000, 0.0002381700000000, -0.0001255400000000 ] - [ -0.0000869500000000, -0.0000627900000000, 0.0001364600000000 ] - [ 0.0000675800000000, 0.0003361500000000, 0.0000996200000000 ] - [ 0.0000300300000000, 0.0000863600000000, -0.0001433900000000 ] - [ 0.0000255200000000, -0.0001343900000000, -0.0001295400000000 ] - [ -0.0004604300000000, 0.0005112800000000, -0.0000018300000000 ] - [ -0.0005526100000000, 0.0000817400000000, 0.0000099500000000 ] - [ -0.0017316400000000, 0.0420011200000000, -0.0000754500000000 ] - [ -0.0001468000000000, -0.0000350500000000, 0.0000757600000000 ] - [ 0.0006206900000000, 0.0001676300000000, -0.0001191800000000 ] - [ -0.0009091900000000, 0.0001734200000000, -0.0002469300000000 ] - [ 0.0001524900000000, 0.0002398900000000, -0.0002057500000000 ] - [ 0.0001194000000000, 0.0001698400000000, 0.0000696200000000 ] - [ 0.0000366300000000, 0.0001821800000000, -0.0001098400000000 ] - [ 0.0001981200000000, 0.0001929700000000, -0.0000523000000000 ] - [ -0.0004649400000000, -0.0000570900000000, 0.0000642800000000 ] - [ 0.0006507900000000, -0.0000024600000000, -0.0000380900000000 ] - [ 0.0000463300000000, -0.0015073600000000, 0.0001147900000000 ] - [ 0.0001145900000000, -0.0002542200000000, 0.0000577200000000 ] - [ -0.0000893400000000, -0.0004502400000000, -0.0000447600000000 ] - [ -0.0001281100000000, -0.0004508500000000, -0.0000413100000000 ] - [ -0.0001103200000000, -0.0001510500000000, 0.0002856900000000 ] - [ -0.0001139500000000, 0.0001237800000000, 0.0000715400000000 ] - [ -0.0013492300000000, 0.0021963400000000, -0.0002421500000000 ] - [ -0.0011199000000000, 0.0021966700000000, -0.0002490100000000 ] - [ 0.0011141700000000, 0.0041539300000000, -0.0014946000000000 ] - [ 0.0006643800000000, 0.0001579800000000, 0.0001359700000000 ] - [ 0.0012390800000000, 0.0004090400000000, -0.0001656800000000 ] - [ 0.0001168500000000, 0.0004144700000000, -0.0000837300000000 ] - [ 0.0007515000000000, -0.0016506500000000, -0.0001903600000000 ] - [ 0.0006284400000000, -0.0016091800000000, -0.0002116800000000 ] - [ -0.0007247700000000, -0.0020121600000000, 0.0003111200000000 ] - [ -0.0006900200000000, -0.0005224300000000, 0.0001840700000000 ] - [ 0.0000464000000000, -0.0084551800000000, 0.0042057300000000 ] - [ 0.0006877900000000, 0.0000997000000000, 0.0001923600000000 ] - [ -0.0012389500000000, -0.0000889400000000, -0.0002508200000000 ] - [ -0.0001322900000000, -0.0000709400000000, -0.0002965200000000 ] - [ -0.0010547200000000, -0.0110377000000000, -0.0108311400000000 ] - [ -0.0007152400000000, 0.0002546600000000, 0.0000936900000000 ] - [ 0.0000298700000000, 0.0013950000000000, 0.0000976100000000 ] - [ 0.0000108400000000, 0.0002317500000000, -0.0000214200000000 ] - [ 0.0001637300000000, -0.0000233900000000, 0.0000197900000000 ] - [ -0.0014978900000000, -0.0010197300000000, 0.0015011400000000 ] - [ -0.0009882800000000, -0.0011089000000000, -0.0009887600000000 ] - [ 0.0001770800000000, -0.0000716700000000, 0.0000020900000000 ] - [ -0.0000552100000000, 0.0002044300000000, 0.0000197700000000 ] - [ 0.0004055700000000, 0.0013423500000000, 0.0006141300000000 ] - [ 0.0010328400000000, -0.0011884700000000, 0.0010396800000000 ] - [ -0.0001889900000000, -0.0001241400000000, 0.0000299000000000 ] - [ -0.0001812000000000, -0.0000241600000000, -0.0000281200000000 ] - [ 0.0016775000000000, -0.0010971600000000, -0.0014838900000000 ] - [ 0.0001793400000000, -0.0007211100000000, -0.0002032400000000 ] - [ -0.0000574400000000, -0.0001269700000000, -0.0000124500000000 ] - [ 0.0000239300000000, -0.0000991900000000, -0.0000056700000000 ] - [ -0.0000440500000000, -0.0007123200000000, -0.0000200500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000371400000000, -0.0005628200000000, -0.0002480800000000 ] - [ 0.0000162000000000, -0.0005369400000000, -0.0002413800000000 ] - [ -0.0000377700000000, 0.0000718100000000, -0.0000356900000000 ] - [ 0.0000577300000000, 0.0004127600000000, 0.0001291600000000 ] - [ -0.0001066600000000, 0.0003564000000000, 0.0000401800000000 ] - [ 0.0000480200000000, 0.0003081000000000, 0.0000945300000000 ] - [ -0.0000306700000000, -0.0002105900000000, 0.0001341300000000 ] - [ -0.0000017600000000, -0.0005222200000000, 0.0001443800000000 ] - [ -0.0001050500000000, 0.0020641500000000, -0.0015620100000000 ] - [ 0.0003648200000000, 0.0007501400000000, 0.0002725400000000 ] - [ 0.0000509200000000, -0.0005053900000000, -0.0003425500000000 ] - [ -0.0000812900000000, -0.0006208200000000, -0.0004679800000000 ] - [ 0.0005244600000000, -0.0032129900000000, 0.0033013700000000 ] - [ 0.0001129000000000, -0.0004229100000000, 0.0000953200000000 ] - [ -0.0004093600000000, 0.0004266000000000, 0.0002135900000000 ] - [ 0.0003387400000000, 0.0008224000000000, 0.0000955300000000 ] - [ -0.0000730000000000, -0.0000446000000000, -0.0000823700000000 ] - [ 0.0001076400000000, -0.0001201700000000, -0.0003256800000000 ] - [ 0.0000050600000000, 0.0001866400000000, -0.0003131400000000 ] - [ 0.0001493800000000, -0.0000575000000000, -0.0000309900000000 ] - [ -0.0001015600000000, -0.0001741600000000, 0.0002079200000000 ] - [ -0.0000692700000000, -0.0000357500000000, 0.0002356300000000 ] - [ 0.0017524400000000, -0.0052704400000000, 0.0045028600000000 ] - [ 0.0000400600000000, 0.0000465100000000, -0.0000979200000000 ] - [ 0.0003578200000000, -0.0011301200000000, -0.0019209800000000 ] - [ 0.0000207200000000, 0.0001092400000000, -0.0001169600000000 ] - [ -0.0001062300000000, -0.0001284800000000, -0.0000258900000000 ] - [ 0.0000250300000000, 0.0000203200000000, 0.0000189800000000 ] - [ 0.0000375000000000, -0.0002345400000000, 0.0003325600000000 ] - [ 0.0001353100000000, -0.0000970800000000, -0.0001206500000000 ] - [ 0.0002901700000000, 0.0003335000000000, 0.0002698600000000 ] - [ -0.0000889900000000, -0.0003861800000000, 0.0007702300000000 ] - [ 0.0005238900000000, 0.0001073100000000, -0.0000753000000000 ] - [ 0.0004437000000000, 0.0001109400000000, -0.0003242100000000 ] - [ -0.0001409700000000, 0.0001375600000000, -0.0002160000000000 ] - [ 0.0001548200000000, 0.0002247200000000, 0.0000498300000000 ] - [ 0.0004331900000000, -0.0001562000000000, -0.0000683000000000 ] - [ 0.0006678700000000, -0.0001599900000000, -0.0000050300000000 ] - [ -0.0012170500000000, 0.0007236200000000, -0.0001752200000000 ] - [ -0.0004033400000000, 0.0001136100000000, 0.0000201900000000 ] - [ 0.0010423100000000, 0.0002270600000000, -0.0014114700000000 ] - [ -0.0005164600000000, 0.0002173500000000, 0.0001108500000000 ] - [ -0.0005535000000000, 0.0000461700000000, -0.0003989400000000 ] - [ -0.0004668800000000, 0.0000914200000000, -0.0000718300000000 ] - [ 0.0015056800000000, -0.0010504500000000, 0.0001502600000000 ] - [ 0.0005532800000000, 0.0000888500000000, 0.0000010800000000 ] - [ 0.0005293200000000, 0.0002005400000000, 0.0000063700000000 ] - [ -0.0000547800000000, -0.0003133200000000, 0.0024242100000000 ] - [ 0.0001233300000000, -0.0001785700000000, 0.0003180400000000 ] - [ -0.0000325100000000, -0.0001040300000000, 0.0001734100000000 ] - [ 0.0019032800000000, 0.0042512500000000, 0.0082735700000000 ] - [ 0.0002001100000000, 0.0002228300000000, -0.0005087200000000 ] - [ -0.0006707900000000, 0.0003848100000000, 0.0014468500000000 ] - [ 0.0003485600000000, 0.0000228500000000, 0.0005199400000000 ] - [ -0.0001796600000000, -0.0012967400000000, -0.0013808800000000 ] - [ -0.0000017900000000, -0.0001366300000000, -0.0005093200000000 ] - [ -0.0001255200000000, 0.0001723500000000, -0.0003467300000000 ] - [ 0.0001415400000000, -0.0002226600000000, -0.0003260200000000 ] - [ 0.0000803700000000, 0.0001303400000000, 0.0000888900000000 ] - [ -0.0002301800000000, 0.0000556600000000, 0.0001891700000000 ] - [ 0.0001583800000000, 0.0004311100000000, -0.0012702200000000 ] - [ 0.0001122800000000, -0.0000629500000000, -0.0004032800000000 ] - [ -0.0001829100000000, -0.0001514200000000, 0.0004999000000000 ] - [ 0.0001624700000000, 0.0001673000000000, 0.0005328600000000 ] - [ 0.0003947600000000, -0.0002487400000000, -0.0003183400000000 ] - [ -0.0003983700000000, -0.0000850900000000, 0.0005797300000000 ] - [ 0.0003363900000000, -0.0007361500000000, 0.0044724000000000 ] - [ 0.0003875100000000, 0.0003249400000000, -0.0000508900000000 ] - [ -0.0005880700000000, 0.0004235600000000, -0.0002455400000000 ] - [ 0.0001807900000000, 0.0003829100000000, -0.0005170300000000 ] - [ 0.0000457100000000, 0.0000228600000000, -0.0017374700000000 ] - [ 0.0000550200000000, -0.0001997700000000, 0.0003502400000000 ] - [ -0.0000973100000000, 0.0008068400000000, 0.0015238100000000 ] - [ 0.0000285400000000, 0.0002306300000000, 0.0002768800000000 ] - [ 0.0000388600000000, -0.0002492100000000, -0.0002126700000000 ] - [ -0.0000689700000000, -0.0002180400000000, -0.0001413200000000 ] - [ -0.0000268700000000, -0.0002365700000000, -0.0000453100000000 ] - [ 0.0000440700000000, -0.0002806600000000, 0.0002576600000000 ] - [ -0.0001142600000000, 0.0001958200000000, -0.0003961100000000 ] - [ 0.0001983300000000, 0.0001368000000000, -0.0005503700000000 ] - [ -0.0013004500000000, -0.0005655700000000, 0.0025807300000000 ] - [ 0.0001463200000000, -0.0002095300000000, 0.0002943200000000 ] - [ -0.0007394300000000, -0.0006743600000000, 0.0007451200000000 ] - [ 0.0003691500000000, 0.0002288600000000, -0.0004910600000000 ] - [ -0.0002168300000000, 0.0001741400000000, 0.0004003200000000 ] - [ 0.0000754600000000, 0.0003227300000000, -0.0002399700000000 ] - [ -0.0015132600000000, -0.0001595900000000, -0.0019100100000000 ] - [ 0.0001600300000000, -0.0001524700000000, -0.0001396500000000 ] - [ 0.0006797400000000, 0.0008054300000000, 0.0002215200000000 ] - [ -0.0000655900000000, 0.0002293300000000, -0.0000821100000000 ] - [ -0.0000272100000000, -0.0003527800000000, 0.0000800400000000 ] - [ -0.0002427200000000, -0.0002525200000000, 0.0002919400000000 ] - [ 0.0001011000000000, -0.0002337400000000, -0.0002540800000000 ] - [ 0.0000427100000000, -0.0003188700000000, -0.0000696900000000 ] - [ -0.0005889900000000, -0.0001651600000000, 0.0001767700000000 ] - [ -0.0004242500000000, -0.0001203800000000, 0.0000326100000000 ] - [ 0.0005959800000000, -0.0000103600000000, -0.0307540200000000 ] - [ -0.0003050700000000, -0.0003095300000000, 0.0001153900000000 ] - [ -0.0003959400000000, 0.0003207400000000, -0.0000536500000000 ] - [ 0.0002541000000000, 0.0001850700000000, -0.0002194500000000 ] - [ 0.0001250000000000, -0.0001301600000000, 0.0011745300000000 ] - [ -0.0000361400000000, 0.0001421300000000, -0.0000593800000000 ] - [ 0.0008065700000000, -0.0003423200000000, 0.0000885600000000 ] - [ -0.0004896200000000, -0.0001338900000000, 0.0002727000000000 ] - [ -0.0001155700000000, 0.0000065600000000, -0.0001119900000000 ] - [ 0.0003505800000000, 0.0001068000000000, -0.0002305900000000 ] - [ 0.0001641900000000, -0.0001760700000000, -0.0002191400000000 ] - [ 0.0000054700000000, -0.0000225100000000, 0.0001131600000000 ] - [ 0.0000276300000000, 0.0000144100000000, -0.0000807500000000 ] - [ -0.0001984900000000, -0.0001175000000000, -0.0000109000000000 ] - [ -0.0000426700000000, 0.0003518000000000, 0.0007551800000000 ] - [ -0.0001525000000000, 0.0001381800000000, 0.0000881800000000 ] - [ -0.0011094500000000, -0.0006654900000000, -0.0020920900000000 ] - [ -0.0017364700000000, -0.0000644600000000, -0.0022808400000000 ] - [ 0.0001337100000000, -0.0014564800000000, 0.0123885500000000 ] - [ 0.0001718600000000, -0.0007806700000000, 0.0000245700000000 ] - [ 0.0011191800000000, 0.0003210500000000, 0.0001927400000000 ] - [ 0.0004937700000000, 0.0000992400000000, 0.0006758900000000 ] - [ 0.0009057900000000, 0.0003332300000000, -0.0003421000000000 ] - [ 0.0007636300000000, -0.0000401200000000, -0.0006213900000000 ] - [ -0.0005980100000000, -0.0000095300000000, 0.0005979800000000 ] - [ -0.0009650000000000, 0.0002693800000000, -0.0000964400000000 ] - [ 0.0003287800000000, -0.0043598900000000, 0.0003110400000000 ] - [ 0.0005163700000000, 0.0001288500000000, 0.0000666300000000 ] - [ -0.0005189300000000, 0.0001435300000000, 0.0005863600000000 ] - [ -0.0007254600000000, 0.0001891800000000, 0.0006765200000000 ] - [ -0.0012160600000000, 0.0109142200000000, -0.0025003600000000 ] - [ -0.0012698200000000, 0.0002099000000000, 0.0005149800000000 ] - [ -0.0014550200000000, -0.0002870700000000, 0.0024684000000000 ] - [ 0.0000378900000000, 0.0000292100000000, 0.0000243100000000 ] - [ -0.0000413800000000, -0.0003134000000000, 0.0000542500000000 ] - [ -0.0007215600000000, -0.0012845000000000, -0.0002367100000000 ] - [ 0.0006767100000000, 0.0010733400000000, -0.0003585000000000 ] - [ -0.0001868700000000, -0.0000086800000000, -0.0000162300000000 ] - [ -0.0001798500000000, -0.0000660100000000, 0.0000872500000000 ] - [ 0.0013630200000000, -0.0006189400000000, 0.0020193100000000 ] - [ 0.0006690200000000, -0.0006898200000000, -0.0002791300000000 ] - [ -0.0003566800000000, -0.0000505700000000, -0.0000134300000000 ] - [ 0.0000701600000000, -0.0001124900000000, -0.0000654700000000 ] - [ -0.0011739700000000, 0.0017093300000000, -0.0002313400000000 ] - [ -0.0001001700000000, 0.0002705500000000, 0.0002187400000000 ] - [ -0.0000265600000000, 0.0000789100000000, 0.0000189500000000 ] - [ -0.0000566900000000, 0.0001399200000000, 0.0000332800000000 ] - [ 0.0001541800000000, 0.0001196700000000, 0.0001835400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000061100000000, -0.0004059900000000, 0.0000198200000000 ] - [ 0.0000523800000000, -0.0004297100000000, 0.0000098500000000 ] - [ 0.0001140800000000, 0.0008261400000000, 0.0002356900000000 ] - [ 0.0000092800000000, 0.0004768800000000, 0.0001345700000000 ] - [ -0.0000126200000000, 0.0004977800000000, -0.0002579300000000 ] - [ -0.0000900300000000, 0.0006596100000000, -0.0003389900000000 ] - [ -0.0000386000000000, -0.0007445300000000, 0.0000945300000000 ] - [ -0.0000408000000000, -0.0004578900000000, 0.0000951200000000 ] - [ 0.0000263000000000, -0.0011215400000000, 0.0018085400000000 ] - [ -0.0000540300000000, 0.0004470600000000, 0.0001316900000000 ] - [ -0.0001061600000000, -0.0003479800000000, 0.0001779700000000 ] - [ 0.0000466000000000, -0.0003128400000000, 0.0002493600000000 ] - [ -0.0004786400000000, 0.0023796600000000, -0.0027407400000000 ] - [ -0.0000130600000000, -0.0004342300000000, 0.0000861800000000 ] - [ 0.0001020200000000, 0.0007682300000000, -0.0006467900000000 ] - [ -0.0002553900000000, 0.0001699100000000, -0.0003418700000000 ] - [ 0.0001190500000000, 0.0000249900000000, 0.0003251000000000 ] - [ -0.0000295500000000, 0.0000825500000000, 0.0005579500000000 ] - [ 0.0000508100000000, -0.0001325500000000, 0.0000953400000000 ] - [ 0.0000242800000000, 0.0000427900000000, -0.0000799900000000 ] - [ -0.0000912600000000, 0.0001529000000000, -0.0000778100000000 ] - [ 0.0000201600000000, 0.0000696900000000, -0.0000101500000000 ] - [ -0.0017967300000000, 0.0050183300000000, -0.0046900300000000 ] - [ -0.0000810900000000, -0.0000524700000000, -0.0001478500000000 ] - [ -0.0004441100000000, 0.0012168400000000, 0.0017007000000000 ] - [ -0.0000618200000000, 0.0000618800000000, -0.0000617600000000 ] - [ -0.0000346000000000, -0.0000414200000000, 0.0002599900000000 ] - [ -0.0000719300000000, -0.0000853700000000, 0.0002156100000000 ] - [ 0.0000073400000000, 0.0001719900000000, -0.0005605100000000 ] - [ 0.0000234700000000, -0.0000286200000000, -0.0001390000000000 ] - [ -0.0002431300000000, -0.0001654500000000, -0.0000893600000000 ] - [ 0.0001710000000000, 0.0004327800000000, -0.0005334200000000 ] - [ 0.0005160700000000, 0.0000895200000000, 0.0000852800000000 ] - [ 0.0006058100000000, 0.0000830000000000, 0.0003281200000000 ] - [ 0.0002301500000000, 0.0003091000000000, 0.0004064200000000 ] - [ 0.0000023400000000, 0.0002277900000000, 0.0001985700000000 ] - [ 0.0005941300000000, -0.0000634800000000, 0.0000641200000000 ] - [ 0.0004997400000000, -0.0000894800000000, 0.0000162400000000 ] - [ 0.0001617500000000, -0.0005318400000000, 0.0001735100000000 ] - [ -0.0006258700000000, 0.0000803000000000, -0.0000261400000000 ] - [ -0.0021275600000000, -0.0004103500000000, 0.0014126000000000 ] - [ -0.0004900600000000, -0.0001029600000000, 0.0000197600000000 ] - [ -0.0005876900000000, 0.0001095400000000, 0.0004435600000000 ] - [ -0.0005478600000000, 0.0000987100000000, 0.0000923900000000 ] - [ -0.0005015000000000, 0.0012151500000000, -0.0001486200000000 ] - [ 0.0005684400000000, 0.0001060000000000, -0.0000339000000000 ] - [ 0.0005322300000000, -0.0001056700000000, -0.0001534100000000 ] - [ 0.0011035800000000, 0.0001279100000000, -0.0024059300000000 ] - [ -0.0000143600000000, -0.0000781300000000, 0.0006287500000000 ] - [ 0.0002129800000000, -0.0001137600000000, 0.0007008900000000 ] - [ -0.0018558700000000, -0.0043040400000000, -0.0099497600000000 ] - [ 0.0000429300000000, 0.0001071000000000, -0.0004511000000000 ] - [ 0.0004130100000000, 0.0000029500000000, -0.0004938800000000 ] - [ -0.0004793500000000, 0.0001747700000000, 0.0003136400000000 ] - [ -0.0000042000000000, 0.0010744800000000, 0.0005072200000000 ] - [ -0.0001027700000000, -0.0001070100000000, -0.0004345000000000 ] - [ -0.0000606400000000, 0.0000313300000000, -0.0005265700000000 ] - [ -0.0001012800000000, 0.0001088200000000, -0.0004529700000000 ] - [ -0.0002382300000000, -0.0002999600000000, 0.0007587400000000 ] - [ 0.0000803700000000, -0.0002575100000000, 0.0006705700000000 ] - [ -0.0000267000000000, -0.0006060600000000, 0.0004254700000000 ] - [ 0.0000612300000000, -0.0001323500000000, -0.0004452800000000 ] - [ 0.0001301300000000, 0.0000718300000000, 0.0003389100000000 ] - [ 0.0000144400000000, 0.0000143100000000, 0.0003065400000000 ] - [ -0.0003526100000000, -0.0002109500000000, -0.0003617500000000 ] - [ 0.0004419000000000, -0.0003887200000000, -0.0011303400000000 ] - [ -0.0003303800000000, 0.0011948600000000, -0.0039018600000000 ] - [ -0.0000231000000000, 0.0002383400000000, 0.0002198300000000 ] - [ 0.0001982200000000, 0.0000685400000000, 0.0000106700000000 ] - [ -0.0001850000000000, 0.0001043200000000, -0.0000280000000000 ] - [ -0.0001346900000000, -0.0005083800000000, 0.0022770700000000 ] - [ -0.0000487100000000, -0.0002462800000000, 0.0003928100000000 ] - [ 0.0000979000000000, -0.0003528900000000, -0.0009280200000000 ] - [ -0.0000362100000000, 0.0002426800000000, 0.0002233000000000 ] - [ -0.0001019000000000, -0.0002857100000000, -0.0004082700000000 ] - [ 0.0000532600000000, -0.0002709300000000, -0.0004086000000000 ] - [ 0.0000460800000000, -0.0002563700000000, 0.0006336300000000 ] - [ 0.0000064800000000, -0.0002455900000000, 0.0003464300000000 ] - [ 0.0000786300000000, 0.0002535700000000, -0.0001748800000000 ] - [ -0.0001511800000000, 0.0003422000000000, 0.0000152200000000 ] - [ 0.0012859100000000, 0.0001951900000000, -0.0023901400000000 ] - [ 0.0000179200000000, -0.0002206700000000, -0.0000612800000000 ] - [ 0.0008411700000000, 0.0011160800000000, -0.0009737200000000 ] - [ -0.0000519400000000, 0.0002400800000000, -0.0001414600000000 ] - [ -0.0000453200000000, 0.0002208800000000, 0.0001974800000000 ] - [ -0.0001824400000000, 0.0001179800000000, 0.0004792300000000 ] - [ 0.0013621600000000, -0.0002589400000000, 0.0016505000000000 ] - [ -0.0001503300000000, -0.0002217500000000, -0.0000450700000000 ] - [ -0.0008178800000000, -0.0003621700000000, -0.0004124800000000 ] - [ -0.0000455900000000, 0.0002233900000000, -0.0001586300000000 ] - [ -0.0000750000000000, -0.0002095300000000, 0.0000609100000000 ] - [ 0.0001234100000000, -0.0001982400000000, -0.0000623000000000 ] - [ -0.0000030900000000, -0.0002135300000000, 0.0000299500000000 ] - [ 0.0000333700000000, -0.0002137000000000, -0.0000794600000000 ] - [ -0.0005629000000000, -0.0000946400000000, -0.0001702300000000 ] - [ -0.0005691700000000, -0.0000825200000000, -0.0000476100000000 ] - [ -0.0007310900000000, 0.0001079500000000, 0.0313370900000000 ] - [ -0.0000531400000000, -0.0001391200000000, 0.0001251900000000 ] - [ 0.0002722200000000, -0.0000142300000000, 0.0000731100000000 ] - [ -0.0005157300000000, 0.0000988000000000, 0.0000835300000000 ] - [ 0.0001540900000000, 0.0004417600000000, -0.0010334200000000 ] - [ 0.0001436100000000, 0.0001487100000000, 0.0000270000000000 ] - [ -0.0004645800000000, -0.0001158500000000, -0.0002880300000000 ] - [ 0.0006907800000000, -0.0001635300000000, -0.0004190300000000 ] - [ 0.0003712500000000, 0.0002736700000000, -0.0000347000000000 ] - [ -0.0001299000000000, 0.0001775200000000, 0.0000948800000000 ] - [ 0.0000973600000000, -0.0000888400000000, 0.0003595500000000 ] - [ 0.0001410900000000, -0.0001472800000000, 0.0001066900000000 ] - [ -0.0001681200000000, -0.0001644900000000, -0.0001338700000000 ] - [ -0.0000693400000000, -0.0001616700000000, -0.0001397600000000 ] - [ -0.0001845100000000, -0.0000806200000000, -0.0005909600000000 ] - [ -0.0000978700000000, 0.0001474800000000, 0.0000237400000000 ] - [ 0.0000869300000000, -0.0003019800000000, 0.0020579200000000 ] - [ 0.0002579800000000, -0.0003324200000000, 0.0019761800000000 ] - [ 0.0013464800000000, 0.0010022000000000, -0.0121175200000000 ] - [ 0.0007999100000000, -0.0001680700000000, 0.0000114100000000 ] - [ 0.0006902200000000, 0.0002012500000000, -0.0009990900000000 ] - [ 0.0007935400000000, 0.0002685900000000, -0.0010214700000000 ] - [ 0.0007625900000000, -0.0002444900000000, 0.0002861500000000 ] - [ 0.0005546500000000, -0.0002823500000000, 0.0003393400000000 ] - [ -0.0007241900000000, -0.0003065400000000, -0.0003027400000000 ] - [ -0.0006299500000000, -0.0001942200000000, 0.0000695800000000 ] - [ 0.0011045200000000, 0.0047205100000000, -0.0000427400000000 ] - [ 0.0007939500000000, 0.0002113400000000, 0.0002651700000000 ] - [ -0.0007946400000000, 0.0001824800000000, -0.0008906200000000 ] - [ -0.0007026000000000, 0.0001656100000000, -0.0009977000000000 ] - [ -0.0000413600000000, -0.0104849400000000, 0.0027735800000000 ] - [ -0.0005797200000000, 0.0001502200000000, 0.0002504500000000 ] - [ 0.0014969500000000, 0.0003884700000000, -0.0024443500000000 ] - [ -0.0000916000000000, 0.0000337400000000, -0.0000475100000000 ] - [ -0.0000312600000000, -0.0000374200000000, 0.0000560400000000 ] - [ 0.0007252300000000, 0.0011791600000000, 0.0002491100000000 ] - [ -0.0006272900000000, -0.0011588300000000, 0.0003503400000000 ] - [ 0.0001370700000000, -0.0001119600000000, 0.0000339700000000 ] - [ 0.0001363300000000, 0.0000793400000000, -0.0000930400000000 ] - [ -0.0013100300000000, 0.0006833700000000, -0.0020154600000000 ] - [ -0.0004094000000000, 0.0006707400000000, 0.0002769200000000 ] - [ 0.0001067700000000, 0.0000142400000000, 0.0000291800000000 ] - [ -0.0000348200000000, -0.0000566100000000, 0.0000699100000000 ] - [ 0.0011438800000000, -0.0017998800000000, 0.0002412800000000 ] - [ 0.0001552500000000, -0.0001392100000000, -0.0002101400000000 ] - [ -0.0000270800000000, 0.0000412500000000, -0.0000309700000000 ] - [ 0.0000536500000000, 0.0000342100000000, -0.0000311900000000 ] - [ -0.0001517600000000, -0.0000140600000000, -0.0001869900000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008348000000000, -0.0005493100000000, -0.0001503300000000 ] - [ -0.0006128900000000, -0.0003689800000000, -0.0001052900000000 ] - [ -0.0002305700000000, 0.0009402700000000, 0.0003968500000000 ] - [ -0.0003929100000000, -0.0003691700000000, -0.0003306500000000 ] - [ 0.0015336700000000, -0.0003937400000000, -0.0001224400000000 ] - [ -0.0008906000000000, 0.0005974100000000, -0.0001035400000000 ] - [ -0.0002210800000000, 0.0004318300000000, -0.0002320500000000 ] - [ -0.0002795300000000, -0.0011043500000000, 0.0003883900000000 ] - [ -0.0006163700000000, -0.0004887500000000, 0.0009220300000000 ] - [ -0.0008532200000000, 0.0013514600000000, -0.0005767700000000 ] - [ 0.0017426700000000, -0.0002775600000000, 0.0001319800000000 ] - [ -0.0009902100000000, -0.0005933000000000, -0.0001187700000000 ] - [ -0.0019362300000000, -0.0020105300000000, -0.0013357200000000 ] - [ -0.0021497100000000, 0.0014405300000000, 0.0021165600000000 ] - [ 0.0192097500000000, 0.0162214600000000, -0.0046493900000000 ] - [ -0.0012543400000000, 0.0003361500000000, -0.0001349500000000 ] - [ 0.0016152300000000, -0.0001653700000000, 0.0002704000000000 ] - [ -0.0008407700000000, 0.0001404300000000, 0.0001174600000000 ] - [ -0.0000427200000000, -0.0002830400000000, -0.0000014200000000 ] - [ -0.0001276600000000, 0.0003194100000000, -0.0002005200000000 ] - [ 0.0012067700000000, -0.0006654300000000, 0.0000798100000000 ] - [ -0.0008357900000000, 0.0001811700000000, 0.0001112800000000 ] - [ -0.0023441700000000, 0.0028259300000000, -0.0013429900000000 ] - [ -0.0025927200000000, -0.0043863400000000, 0.0020497300000000 ] - [ -0.0006574000000000, 0.0009060200000000, 0.0005863900000000 ] - [ -0.0004018900000000, -0.0007234000000000, -0.0008893500000000 ] - [ 0.0008095400000000, -0.0000808000000000, 0.0001513500000000 ] - [ -0.0006816800000000, -0.0001181400000000, 0.0000859200000000 ] - [ -0.0000702200000000, -0.0015075800000000, -0.0001467900000000 ] - [ -0.0005754100000000, 0.0011573000000000, -0.0000098700000000 ] - [ 0.0216813400000000, 0.0250312300000000, -0.0083210800000000 ] - [ -0.0012157800000000, -0.0000868300000000, 0.0001167400000000 ] - [ 0.0018426900000000, -0.0001555300000000, 0.0002009300000000 ] - [ -0.0005184100000000, 0.0002115500000000, -0.0001517500000000 ] - [ 0.0015684000000000, 0.0006134400000000, 0.0004856300000000 ] - [ -0.0011628800000000, 0.0000409600000000, -0.0000759900000000 ] - [ 0.0010154000000000, -0.0000143900000000, 0.0001902900000000 ] - [ -0.0002001600000000, -0.0001054900000000, -0.0000490700000000 ] - [ -0.0019878100000000, 0.0007501600000000, -0.0003627300000000 ] - [ 0.0000805200000000, -0.0011384300000000, 0.0006178500000000 ] - [ -0.0024126500000000, -0.0003586300000000, 0.0002568100000000 ] - [ -0.0008117800000000, -0.0001393400000000, -0.0031778400000000 ] - [ 0.0010550200000000, -0.0004373500000000, -0.0003635200000000 ] - [ -0.0018011900000000, 0.0003057700000000, 0.0001715900000000 ] - [ 0.0002833800000000, -0.0025511500000000, -0.0016835900000000 ] - [ -0.0013456000000000, 0.0005196000000000, 0.0004675800000000 ] - [ 0.1265697700000000, -0.0150324100000000, 0.0247869500000000 ] - [ -0.0022583000000000, -0.0000234100000000, -0.0000861800000000 ] - [ 0.0012598400000000, -0.0000354100000000, 0.0006844100000000 ] - [ -0.0007133000000000, -0.0001140900000000, 0.0003598500000000 ] - [ -0.0025599500000000, 0.0004599800000000, 0.0036644400000000 ] - [ -0.0020501300000000, -0.0004369600000000, -0.0030502000000000 ] - [ 0.0189493300000000, -0.0062939300000000, -0.0156200400000000 ] - [ -0.0013840200000000, 0.0001659100000000, 0.0005398600000000 ] - [ -0.0005641900000000, -0.0010767900000000, -0.0014014400000000 ] - [ -0.0003425100000000, 0.0008151600000000, 0.0005820900000000 ] - [ -0.0002764800000000, -0.0000426600000000, -0.0002289900000000 ] - [ -0.0003344300000000, 0.0004098100000000, -0.0007371300000000 ] - [ 0.0015622300000000, 0.0000692800000000, 0.0004702400000000 ] - [ -0.0009793700000000, -0.0001377900000000, 0.0005262500000000 ] - [ -0.0003340400000000, 0.0005649300000000, -0.0013243000000000 ] - [ -0.0004709000000000, -0.0006128700000000, 0.0004638800000000 ] - [ 0.0012559900000000, 0.0001874200000000, 0.0005921000000000 ] - [ -0.0006460200000000, 0.0000843400000000, 0.0004188000000000 ] - [ 0.0188291000000000, -0.0051209500000000, -0.0140155200000000 ] - [ -0.0013297500000000, -0.0002503600000000, -0.0002539100000000 ] - [ -0.0023428500000000, -0.0030249300000000, -0.0002073400000000 ] - [ -0.0020970600000000, 0.0026501600000000, 0.0008354700000000 ] - [ 0.0018322000000000, -0.0000811800000000, 0.0001240400000000 ] - [ -0.0009583500000000, 0.0002344700000000, -0.0003176900000000 ] - [ -0.0006571400000000, -0.0004069300000000, 0.0002404200000000 ] - [ -0.0005474800000000, 0.0000529900000000, -0.0000505200000000 ] - [ -0.0005699400000000, 0.0011672500000000, 0.0006911600000000 ] - [ -0.0005292400000000, -0.0008675500000000, 0.0001497900000000 ] - [ 0.0009627100000000, -0.0004269200000000, -0.0002179500000000 ] - [ -0.0007342800000000, -0.0002132200000000, -0.0003303000000000 ] - [ -0.0000353800000000, -0.0001376800000000, 0.0003508900000000 ] - [ -0.0000872100000000, -0.0003607300000000, 0.0001621600000000 ] - [ 0.0016116300000000, 0.0000570500000000, -0.0006440800000000 ] - [ -0.0008214100000000, 0.0003285100000000, -0.0002446800000000 ] - [ 0.1383767200000000, -0.0165930600000000, 0.0273062500000000 ] - [ -0.0027693200000000, -0.0001938600000000, -0.0000202400000000 ] - [ -0.0018812300000000, -0.0004332500000000, -0.0001440300000000 ] - [ -0.0001958400000000, 0.0028295700000000, 0.0010554000000000 ] - [ 0.0015019500000000, 0.0003281600000000, -0.0003595900000000 ] - [ -0.0012048700000000, 0.0001352700000000, 0.0002695900000000 ] - [ 0.0004542600000000, -0.0002158000000000, 0.0006608900000000 ] - [ -0.0016934900000000, -0.0002556400000000, -0.0006610200000000 ] - [ 0.0001177200000000, 0.0028884200000000, -0.0009439500000000 ] - [ -0.0018269900000000, -0.0002740300000000, -0.0001256200000000 ] - [ 0.0012385500000000, -0.0001404100000000, 0.0000316500000000 ] - [ -0.0011425300000000, -0.0002818000000000, 0.0002322400000000 ] - [ -0.0006221000000000, -0.0001878700000000, 0.0000193600000000 ] - [ 0.0005906600000000, -0.0002130700000000, -0.0003142200000000 ] - [ 0.0008747500000000, 0.0000116100000000, -0.0001576600000000 ] - [ -0.0016341400000000, -0.0001773600000000, 0.0000983700000000 ] - [ 0.0102438500000000, 0.0005251400000000, -0.0007050700000000 ] - [ 0.0094378000000000, 0.0002690600000000, -0.0008991500000000 ] - [ -0.0059329100000000, -0.0002416200000000, 0.0005502200000000 ] - [ 0.0014486000000000, 0.0001265400000000, 0.0000459300000000 ] - [ 0.0003334000000000, 0.0007250600000000, 0.0001665200000000 ] - [ 0.0003172400000000, -0.0003981100000000, 0.0000889100000000 ] - [ -0.0038130200000000, 0.0002773200000000, -0.0006973600000000 ] - [ 0.0016676500000000, -0.0001736900000000, -0.0001774800000000 ] - [ -0.0030443000000000, 0.0008080100000000, -0.0004879200000000 ] - [ 0.0014917200000000, 0.0001430700000000, -0.0001710100000000 ] - [ 0.0003021400000000, -0.0002121700000000, -0.0000681500000000 ] - [ 0.0002641800000000, -0.0000955900000000, 0.0001336500000000 ] - [ -0.0011935800000000, -0.0001148300000000, -0.0000949800000000 ] - [ 0.0007058700000000, -0.0001594600000000, -0.0000078400000000 ] - [ 0.0000036200000000, -0.0004083100000000, 0.0001731900000000 ] - [ 0.0001504500000000, 0.0007068200000000, 0.0000823700000000 ] - [ -0.3444528100000000, 0.0002341500000000, -0.0131186600000000 ] - [ 0.0055753400000000, -0.0002600000000000, 0.0001736500000000 ] - [ 0.0039302700000000, 0.0006152300000000, -0.0043558200000000 ] - [ 0.0046267400000000, -0.0004706500000000, 0.0050036400000000 ] - [ -0.0042059400000000, 0.0003684700000000, -0.0003052500000000 ] - [ 0.0040244900000000, 0.0002106700000000, -0.0002732800000000 ] - [ -0.0035764400000000, 0.0006675400000000, -0.0002842700000000 ] - [ 0.0037220900000000, -0.0002674300000000, -0.0003011900000000 ] - [ -0.0002478800000000, -0.0003145900000000, -0.0003923500000000 ] - [ -0.0002306000000000, 0.0000706000000000, 0.0008731100000000 ] - [ 0.0036664600000000, -0.0052551400000000, 0.0021764800000000 ] - [ 0.0032488300000000, 0.0054183200000000, -0.0018635300000000 ] - [ -0.0052242000000000, 0.0000854600000000, -0.0001729800000000 ] - [ 0.0024531300000000, 0.0000789500000000, -0.0000349200000000 ] - [ 0.0039089500000000, 0.0066234400000000, 0.0032013400000000 ] - [ 0.0039013000000000, -0.0057112100000000, -0.0032947300000000 ] - [ -0.0013107000000000, 0.0000388600000000, 0.0066112300000000 ] - [ 0.0017179300000000, 0.0001704800000000, -0.0003375300000000 ] - [ -0.0014680600000000, -0.0049410300000000, 0.0027285500000000 ] - [ 0.0015222200000000, 0.0005218500000000, -0.0004516000000000 ] - [ -0.0010458000000000, -0.0037549100000000, -0.0019538000000000 ] - [ 0.0014828300000000, 0.0004840600000000, 0.0002844500000000 ] - [ -0.0006840100000000, 0.0012182500000000, -0.0044202300000000 ] - [ 0.0018004800000000, -0.0001463500000000, 0.0005264900000000 ] - [ -0.0008382400000000, 0.0025059700000000, -0.0013277400000000 ] - [ 0.0014220000000000, -0.0005852400000000, 0.0002883700000000 ] - [ -0.0006065700000000, 0.0059063500000000, 0.0041908700000000 ] - [ 0.0016875700000000, -0.0007118900000000, -0.0003085000000000 ] - [ -0.0009147900000000, 0.0004600200000000, 0.0003419100000000 ] - [ 0.0008875400000000, -0.0001585900000000, -0.0002060100000000 ] - [ -0.0008005800000000, 0.0000229500000000, -0.0002180900000000 ] - [ 0.0008277100000000, 0.0000716900000000, 0.0001494900000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007842300000000, -0.0003577700000000, -0.0000697700000000 ] - [ 0.0006748800000000, -0.0005309000000000, -0.0001095900000000 ] - [ 0.0003204100000000, -0.0000602500000000, -0.0002006000000000 ] - [ 0.0004527600000000, 0.0012745500000000, 0.0005468100000000 ] - [ -0.0016222600000000, 0.0012659700000000, -0.0000779800000000 ] - [ 0.0008289400000000, 0.0003049000000000, -0.0001114700000000 ] - [ 0.0001607000000000, -0.0013334200000000, 0.0004478000000000 ] - [ 0.0002256600000000, 0.0002024200000000, -0.0001691100000000 ] - [ 0.0005675600000000, 0.0013920800000000, -0.0006964300000000 ] - [ 0.0007907400000000, -0.0004521900000000, 0.0007942100000000 ] - [ -0.0017947600000000, -0.0006272300000000, -0.0003479800000000 ] - [ 0.0009413100000000, -0.0003143700000000, -0.0001020800000000 ] - [ 0.0019841500000000, 0.0010996300000000, 0.0015496200000000 ] - [ 0.0022108900000000, -0.0023614500000000, -0.0019092600000000 ] - [ -0.0193838700000000, -0.0156704200000000, 0.0045228800000000 ] - [ 0.0013064700000000, 0.0005675200000000, -0.0000851600000000 ] - [ -0.0015390100000000, 0.0000687600000000, -0.0000634000000000 ] - [ 0.0009211100000000, -0.0002338500000000, 0.0000939300000000 ] - [ 0.0001260400000000, 0.0003776600000000, -0.0002108200000000 ] - [ 0.0002048000000000, -0.0002274900000000, -0.0000147400000000 ] - [ -0.0012863000000000, 0.0007693100000000, 0.0001364300000000 ] - [ 0.0007556000000000, -0.0000880900000000, 0.0001010800000000 ] - [ 0.0022612500000000, -0.0029085400000000, 0.0011239300000000 ] - [ 0.0025300400000000, 0.0043299900000000, -0.0022788800000000 ] - [ 0.0005812900000000, -0.0008138600000000, -0.0007986600000000 ] - [ 0.0003205200000000, 0.0008191200000000, 0.0006762200000000 ] - [ -0.0008895300000000, -0.0000075100000000, 0.0000602900000000 ] - [ 0.0006024300000000, 0.0000258000000000, 0.0001291800000000 ] - [ 0.0001525000000000, 0.0014118800000000, -0.0000693100000000 ] - [ 0.0006545400000000, -0.0012532200000000, -0.0002028000000000 ] - [ -0.0213015800000000, -0.0248139700000000, 0.0084942200000000 ] - [ 0.0012952200000000, 0.0001791000000000, 0.0000993900000000 ] - [ -0.0007566400000000, 0.0003547700000000, -0.0001898400000000 ] - [ 0.0016116400000000, -0.0000083800000000, 0.0001661500000000 ] - [ -0.0015004700000000, -0.0001800600000000, -0.0003119300000000 ] - [ 0.0012343200000000, 0.0003959400000000, 0.0002778400000000 ] - [ 0.0000822000000000, -0.0002014600000000, -0.0002130100000000 ] - [ 0.0012869100000000, -0.0000973000000000, 0.0000354500000000 ] - [ 0.0009004800000000, -0.0005454000000000, 0.0003491100000000 ] - [ -0.0011903800000000, 0.0013407400000000, -0.0006314300000000 ] - [ 0.0013223400000000, 0.0001581400000000, -0.0002660000000000 ] - [ -0.0002892000000000, -0.0000640800000000, 0.0031765300000000 ] - [ -0.0021414100000000, 0.0006378500000000, 0.0003744800000000 ] - [ 0.0007112500000000, -0.0001071000000000, -0.0001601400000000 ] - [ 0.0008181600000000, 0.0027402000000000, 0.0016623100000000 ] - [ 0.0024404800000000, -0.0003221200000000, -0.0004816700000000 ] - [ -0.1330932400000000, 0.0160139600000000, -0.0267702000000000 ] - [ 0.0033468000000000, -0.0001771400000000, 0.0000986200000000 ] - [ -0.0010911000000000, -0.0001906000000000, 0.0002263900000000 ] - [ 0.0008904100000000, -0.0001289300000000, 0.0005443000000000 ] - [ 0.0027330300000000, -0.0001925100000000, -0.0045420100000000 ] - [ 0.0022290400000000, 0.0006799300000000, 0.0021576600000000 ] - [ -0.0193812800000000, 0.0066866600000000, 0.0168546000000000 ] - [ 0.0012094300000000, 0.0000768400000000, 0.0003647600000000 ] - [ 0.0003896600000000, 0.0008329200000000, 0.0004947700000000 ] - [ 0.0001701600000000, -0.0010508600000000, -0.0014911700000000 ] - [ 0.0001096300000000, 0.0002754300000000, -0.0006763200000000 ] - [ 0.0001559700000000, -0.0001668800000000, -0.0001678200000000 ] - [ -0.0017324600000000, -0.0003040600000000, 0.0004433600000000 ] - [ 0.0008107400000000, -0.0000933200000000, 0.0003781000000000 ] - [ 0.0005060500000000, -0.0007967500000000, 0.0004168700000000 ] - [ 0.0006376400000000, 0.0003834800000000, -0.0013730400000000 ] - [ -0.0010814900000000, 0.0000557000000000, 0.0003097800000000 ] - [ 0.0008161700000000, 0.0001484800000000, 0.0004882500000000 ] - [ -0.0185918000000000, 0.0044866900000000, 0.0130550400000000 ] - [ 0.0013647400000000, -0.0002427900000000, -0.0003393000000000 ] - [ 0.0023623600000000, 0.0034964900000000, 0.0007936300000000 ] - [ 0.0021199600000000, -0.0021759200000000, -0.0002358100000000 ] - [ -0.0018531000000000, 0.0005720800000000, -0.0007339400000000 ] - [ 0.0009269100000000, 0.0002564900000000, -0.0002755000000000 ] - [ 0.0006268200000000, -0.0000842000000000, 0.0003516900000000 ] - [ 0.0005107500000000, -0.0005431700000000, 0.0006446200000000 ] - [ 0.0005805100000000, -0.0006922000000000, -0.0000618100000000 ] - [ 0.0005060900000000, 0.0013567600000000, 0.0004519400000000 ] - [ -0.0009944300000000, -0.0000669600000000, -0.0003726700000000 ] - [ 0.0007162800000000, -0.0002703600000000, -0.0002716600000000 ] - [ 0.0000544400000000, -0.0003439500000000, 0.0002484400000000 ] - [ 0.0001174700000000, -0.0001297200000000, 0.0004322300000000 ] - [ -0.0016224200000000, 0.0004139200000000, 0.0000165200000000 ] - [ 0.0008418700000000, 0.0001534400000000, -0.0003546500000000 ] - [ -0.1305138900000000, 0.0149892100000000, -0.0249868800000000 ] - [ 0.0028464800000000, -0.0002423500000000, 0.0002359700000000 ] - [ 0.0019518500000000, 0.0008683700000000, -0.0000731800000000 ] - [ 0.0002565000000000, -0.0024055200000000, -0.0012630000000000 ] - [ -0.0015844000000000, 0.0001097600000000, 0.0005636800000000 ] - [ 0.0011361600000000, 0.0003011300000000, -0.0000537800000000 ] - [ -0.0005112200000000, -0.0002197200000000, -0.0008750400000000 ] - [ 0.0016249100000000, -0.0001802700000000, 0.0004462300000000 ] - [ -0.0001734600000000, -0.0024439700000000, 0.0007679500000000 ] - [ 0.0017572400000000, 0.0007143700000000, -0.0000765700000000 ] - [ -0.0013177500000000, -0.0002972100000000, 0.0001855900000000 ] - [ 0.0010713600000000, -0.0001543500000000, -0.0000309400000000 ] - [ 0.0006994400000000, -0.0002490800000000, -0.0002221700000000 ] - [ -0.0005236800000000, -0.0002217500000000, 0.0000989400000000 ] - [ -0.0019621400000000, -0.0002272100000000, 0.0001786800000000 ] - [ 0.0005424500000000, -0.0000268000000000, -0.0000827800000000 ] - [ -0.0104281700000000, -0.0008271800000000, 0.0008497500000000 ] - [ -0.0097384100000000, -0.0005567600000000, 0.0010300600000000 ] - [ 0.0056961200000000, 0.0004829700000000, -0.0007177800000000 ] - [ -0.0016915800000000, 0.0001670600000000, -0.0001838700000000 ] - [ -0.0000954200000000, -0.0004310600000000, -0.0000276700000000 ] - [ -0.0000739200000000, 0.0006927700000000, 0.0000524000000000 ] - [ 0.0040648200000000, -0.0005815000000000, 0.0005912600000000 ] - [ -0.0014273200000000, -0.0001188800000000, 0.0000370400000000 ] - [ 0.0032888700000000, -0.0004934500000000, 0.0003247100000000 ] - [ -0.0012526100000000, 0.0001477500000000, 0.0000309000000000 ] - [ -0.0000710200000000, -0.0000733600000000, 0.0002030200000000 ] - [ -0.0000193500000000, -0.0001982700000000, 0.0000043400000000 ] - [ 0.0009579100000000, -0.0001728400000000, -0.0000379000000000 ] - [ -0.0009469600000000, -0.0001356500000000, -0.0001331300000000 ] - [ -0.0002554400000000, 0.0007033500000000, -0.0000206200000000 ] - [ -0.0003884000000000, -0.0004159500000000, 0.0000592700000000 ] - [ 0.3428584600000000, -0.0003131600000000, 0.0127155600000000 ] - [ -0.0069582900000000, -0.0001028700000000, -0.0004773000000000 ] - [ -0.0025669400000000, -0.0009806300000000, 0.0046350600000000 ] - [ -0.0032457300000000, 0.0001036400000000, -0.0047157800000000 ] - [ 0.0055925700000000, -0.0000171400000000, -0.0000014500000000 ] - [ -0.0026527400000000, 0.0001560600000000, -0.0000309200000000 ] - [ 0.0049589100000000, -0.0010304200000000, -0.0000246300000000 ] - [ -0.0023433600000000, -0.0001046000000000, -0.0000044200000000 ] - [ -0.0011473200000000, -0.0000482300000000, 0.0007045800000000 ] - [ -0.0011362000000000, -0.0004453100000000, -0.0005700400000000 ] - [ -0.0023005700000000, 0.0056139200000000, -0.0018815700000000 ] - [ -0.0018553200000000, -0.0050873500000000, 0.0021806800000000 ] - [ 0.0038544300000000, 0.0002889000000000, -0.0001197600000000 ] - [ -0.0038372400000000, 0.0002899100000000, -0.0002687100000000 ] - [ -0.0052846700000000, -0.0062376600000000, -0.0028759700000000 ] - [ -0.0052848300000000, 0.0061070600000000, 0.0036109500000000 ] - [ 0.0012877800000000, 0.0000537600000000, -0.0066056700000000 ] - [ -0.0017193400000000, -0.0000756900000000, 0.0003408800000000 ] - [ 0.0014889700000000, 0.0048505500000000, -0.0027299500000000 ] - [ -0.0015229700000000, -0.0006143200000000, 0.0004493300000000 ] - [ 0.0010295000000000, 0.0036967700000000, 0.0019454800000000 ] - [ -0.0014821600000000, -0.0005772100000000, -0.0002863800000000 ] - [ 0.0007134300000000, -0.0011258900000000, 0.0044225900000000 ] - [ -0.0018028600000000, 0.0002387000000000, -0.0005247800000000 ] - [ 0.0008177500000000, -0.0025982500000000, 0.0013313600000000 ] - [ -0.0014174400000000, 0.0004951400000000, -0.0002906200000000 ] - [ 0.0006555000000000, -0.0060055800000000, -0.0041954700000000 ] - [ -0.0017070900000000, 0.0006199800000000, 0.0003078500000000 ] - [ 0.0009148000000000, -0.0003691200000000, -0.0003427900000000 ] - [ -0.0008909800000000, 0.0002498400000000, 0.0002076200000000 ] - [ 0.0008052500000000, 0.0000715000000000, 0.0002172700000000 ] - [ -0.0008298700000000, 0.0000192400000000, -0.0001489500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001715600000000, -0.0021651800000000, -0.0003192500000000 ] - [ 0.0000298400000000, -0.0008143600000000, -0.0001823300000000 ] - [ 0.0005269500000000, -0.0007887600000000, -0.0003506200000000 ] - [ -0.0007079700000000, -0.0013316400000000, -0.0004964700000000 ] - [ 0.0002951500000000, -0.0052816400000000, -0.0001834400000000 ] - [ -0.0000088700000000, -0.0000172800000000, -0.0000475400000000 ] - [ 0.0003820300000000, -0.0021427000000000, 0.0006191100000000 ] - [ -0.0005940600000000, -0.0018759700000000, 0.0004755200000000 ] - [ -0.0007189100000000, 0.0020745200000000, 0.0007540700000000 ] - [ 0.0005191700000000, 0.0018335500000000, 0.0007179000000000 ] - [ 0.0001197200000000, 0.0012749500000000, -0.0003319500000000 ] - [ -0.0000000800000000, -0.0000865700000000, -0.0000455600000000 ] - [ -0.0006033100000000, 0.0012780900000000, -0.0002747300000000 ] - [ 0.0010450200000000, 0.0011135200000000, -0.0007127100000000 ] - [ 0.0182370900000000, 0.1238115200000000, -0.0295328600000000 ] - [ 0.0000900300000000, 0.0009342400000000, -0.0001678200000000 ] - [ -0.0000798600000000, 0.0004197400000000, -0.0006064000000000 ] - [ 0.0000439700000000, 0.0001312000000000, 0.0000933200000000 ] - [ -0.0004801500000000, -0.0009355600000000, 0.0002223600000000 ] - [ 0.0002653100000000, -0.0006722800000000, -0.0000043400000000 ] - [ 0.0001404900000000, -0.0055981500000000, 0.0001614500000000 ] - [ 0.0000380000000000, -0.0003822500000000, 0.0001457700000000 ] - [ 0.0010445200000000, 0.0006862700000000, 0.0000614500000000 ] - [ -0.0023365200000000, 0.0004213300000000, 0.0004709700000000 ] - [ 0.0002574000000000, 0.0005216400000000, -0.0002796700000000 ] - [ -0.0007048200000000, 0.0012651700000000, -0.0004360400000000 ] - [ -0.0001664000000000, -0.0013176800000000, 0.0003354800000000 ] - [ -0.0000383000000000, -0.0002349300000000, 0.0001173800000000 ] - [ -0.0006681800000000, -0.0013599000000000, -0.0002303400000000 ] - [ 0.0009645800000000, -0.0013671800000000, -0.0000898800000000 ] - [ 0.0237955900000000, 0.1166267400000000, -0.0343872500000000 ] - [ 0.0001268400000000, 0.0004649900000000, 0.0000666000000000 ] - [ -0.0000736000000000, -0.0003870000000000, 0.0000011100000000 ] - [ 0.0007283700000000, 0.0000049200000000, 0.0000251700000000 ] - [ 0.0006197200000000, -0.0000326000000000, -0.0001729700000000 ] - [ -0.0002362400000000, 0.0001696400000000, 0.0000530800000000 ] - [ 0.0006882000000000, -0.0015530000000000, 0.0000046800000000 ] - [ 0.0004950800000000, -0.0006118200000000, 0.0000295900000000 ] - [ 0.0000531900000000, -0.0001034500000000, 0.0002018900000000 ] - [ -0.0035027100000000, -0.0016239600000000, 0.0011760000000000 ] - [ -0.0004459100000000, 0.0004278400000000, -0.0000618000000000 ] - [ -0.0006596800000000, 0.0019657600000000, 0.0002933500000000 ] - [ -0.0012741100000000, 0.0003336500000000, 0.0001010800000000 ] - [ -0.0003328100000000, 0.0001835200000000, -0.0000273900000000 ] - [ -0.0038988200000000, -0.0009273600000000, -0.0018489600000000 ] - [ 0.0013058000000000, 0.0001849600000000, -0.0002643000000000 ] - [ -0.0143671700000000, 0.0180877100000000, -0.0035960700000000 ] - [ 0.0005427900000000, 0.0003799600000000, 0.0000320000000000 ] - [ 0.0000354200000000, -0.0008657200000000, -0.0011184400000000 ] - [ 0.0000508800000000, -0.0001704500000000, 0.0003780700000000 ] - [ 0.0009910600000000, 0.0015111300000000, -0.0012865100000000 ] - [ -0.0002605500000000, 0.0015188500000000, -0.0006120000000000 ] - [ -0.0075775200000000, 0.0322499200000000, 0.0393742700000000 ] - [ -0.0000861300000000, 0.0004714200000000, 0.0005605400000000 ] - [ -0.0008186000000000, -0.0005526700000000, -0.0011906000000000 ] - [ 0.0006077600000000, -0.0006335300000000, -0.0014469200000000 ] - [ -0.0005758800000000, -0.0010343900000000, -0.0000825700000000 ] - [ 0.0003631400000000, -0.0012673300000000, 0.0000149300000000 ] - [ -0.0000036200000000, -0.0007290800000000, 0.0032080000000000 ] - [ -0.0001342200000000, -0.0000605400000000, 0.0005159700000000 ] - [ 0.0007539100000000, 0.0001941400000000, 0.0004472500000000 ] - [ -0.0005420700000000, 0.0001247600000000, 0.0003257100000000 ] - [ 0.0001613600000000, -0.0025961200000000, 0.0000218400000000 ] - [ 0.0000654800000000, -0.0002417000000000, 0.0003517000000000 ] - [ -0.0048472800000000, 0.0297383200000000, 0.0319846700000000 ] - [ 0.0000166100000000, 0.0000953400000000, -0.0002835800000000 ] - [ -0.0021307400000000, 0.0005748600000000, -0.0002321100000000 ] - [ 0.0015017000000000, 0.0005836600000000, 0.0002389200000000 ] - [ 0.0000100000000000, 0.0003194800000000, 0.0030586700000000 ] - [ -0.0000069100000000, 0.0004141900000000, -0.0001736500000000 ] - [ 0.0000124500000000, 0.0003786000000000, 0.0001761900000000 ] - [ -0.0001388000000000, 0.0006220500000000, 0.0003993600000000 ] - [ 0.0010828300000000, -0.0004782700000000, 0.0001436000000000 ] - [ -0.0012352500000000, -0.0007601900000000, 0.0005692200000000 ] - [ 0.0001296400000000, -0.0028783600000000, -0.0004374400000000 ] - [ -0.0000429700000000, -0.0005844500000000, -0.0003093500000000 ] - [ 0.0000086000000000, -0.0009306800000000, 0.0003061200000000 ] - [ -0.0000526700000000, -0.0008460100000000, 0.0002810900000000 ] - [ 0.0002117100000000, -0.0007811100000000, -0.0015561300000000 ] - [ -0.0000006200000000, 0.0000796700000000, -0.0004108600000000 ] - [ -0.0153279000000000, 0.0170096500000000, -0.0033791700000000 ] - [ 0.0000397500000000, 0.0002454000000000, 0.0001073500000000 ] - [ -0.0007824800000000, 0.0001747100000000, -0.0002094900000000 ] - [ 0.0052245100000000, -0.0014754100000000, -0.0019445100000000 ] - [ 0.0005349800000000, 0.0001781300000000, 0.0006704700000000 ] - [ -0.0002626600000000, 0.0002747600000000, 0.0001537100000000 ] - [ 0.0007369000000000, 0.0009478100000000, -0.0006297900000000 ] - [ -0.0001280600000000, 0.0002110800000000, -0.0001193800000000 ] - [ 0.0047767200000000, -0.0017587400000000, 0.0013176700000000 ] - [ -0.0009525000000000, 0.0000983800000000, -0.0000677900000000 ] - [ -0.0000046300000000, -0.0021816300000000, 0.0000975300000000 ] - [ -0.0001013100000000, -0.0006097500000000, 0.0000909900000000 ] - [ -0.0000619200000000, -0.0006085300000000, -0.0000542900000000 ] - [ 0.0002034100000000, -0.0011277900000000, 0.0000029400000000 ] - [ -0.0005167900000000, -0.0024267800000000, 0.0000436600000000 ] - [ -0.0006403800000000, -0.0005624100000000, -0.0000064800000000 ] - [ -0.0006064200000000, -0.0025245300000000, 0.0001683900000000 ] - [ -0.0008163200000000, -0.0025178300000000, 0.0002224000000000 ] - [ -0.0005466300000000, 0.0114545100000000, 0.0107024700000000 ] - [ -0.0001067800000000, 0.0000632500000000, -0.0000400000000000 ] - [ 0.0006154800000000, -0.0000927700000000, 0.0001571200000000 ] - [ -0.0004744000000000, -0.0000925700000000, 0.0000564000000000 ] - [ 0.0004338900000000, -0.0044902500000000, 0.0011596700000000 ] - [ 0.0001006000000000, -0.0004821100000000, -0.0000575900000000 ] - [ -0.0008605500000000, 0.0087465600000000, -0.0045962700000000 ] - [ 0.0001948600000000, 0.0002392700000000, -0.0001012000000000 ] - [ 0.0001893100000000, 0.0012828700000000, 0.0001728700000000 ] - [ 0.0001480400000000, 0.0013222600000000, 0.0001477700000000 ] - [ -0.0002178800000000, 0.0016851300000000, -0.0002107900000000 ] - [ -0.0000965200000000, 0.0001922400000000, -0.0000854100000000 ] - [ -0.0006586600000000, 0.0004299900000000, 0.0000818500000000 ] - [ 0.0003895700000000, 0.0003985300000000, 0.0000560400000000 ] - [ -0.0001827600000000, -0.3508849400000000, -0.0064347500000000 ] - [ -0.0007685900000000, -0.0016101200000000, -0.0002430000000000 ] - [ -0.0001089400000000, -0.0039086200000000, 0.0008055000000000 ] - [ 0.0009797000000000, -0.0041689500000000, -0.0000576600000000 ] - [ 0.0008790400000000, 0.0001897300000000, -0.0013539500000000 ] - [ 0.0007143000000000, -0.0000702600000000, -0.0002208500000000 ] - [ -0.0001637500000000, 0.0121069300000000, -0.0003964100000000 ] - [ 0.0007666800000000, 0.0012283800000000, -0.0000797300000000 ] - [ -0.0004239300000000, 0.0032934400000000, -0.0001713600000000 ] - [ -0.0008215600000000, 0.0032938400000000, -0.0002171700000000 ] - [ -0.0047299400000000, 0.0018701100000000, -0.0017501800000000 ] - [ 0.0059347100000000, 0.0023445000000000, -0.0014956100000000 ] - [ -0.0005928600000000, 0.0024458300000000, -0.0002727500000000 ] - [ -0.0005803800000000, 0.0004354100000000, -0.0000632800000000 ] - [ 0.0052318100000000, 0.0004211700000000, 0.0018830200000000 ] - [ -0.0071290600000000, 0.0004174400000000, 0.0025087000000000 ] - [ 0.0003672400000000, -0.0035365500000000, -0.0003800400000000 ] - [ 0.0000322000000000, -0.0006649000000000, 0.0000661800000000 ] - [ -0.0054456100000000, 0.0037288600000000, -0.0043172300000000 ] - [ 0.0006305100000000, -0.0001204900000000, -0.0002623900000000 ] - [ -0.0034227300000000, 0.0038222100000000, 0.0029101700000000 ] - [ 0.0006863700000000, 0.0000404900000000, 0.0002189700000000 ] - [ 0.0008729500000000, -0.0039845900000000, -0.0020202100000000 ] - [ -0.0001391700000000, -0.0005734700000000, -0.0000628300000000 ] - [ 0.0038506900000000, 0.0047351300000000, -0.0032446700000000 ] - [ -0.0006461300000000, 0.0002489300000000, -0.0002048500000000 ] - [ 0.0061337200000000, 0.0036040800000000, 0.0057311200000000 ] - [ -0.0005759500000000, -0.0001842300000000, 0.0001715100000000 ] - [ 0.0001908800000000, 0.0018234600000000, 0.0002783800000000 ] - [ -0.0001179200000000, 0.0006965700000000, 0.0000673600000000 ] - [ -0.0000634400000000, 0.0018494100000000, 0.0000109100000000 ] - [ 0.0000400800000000, 0.0006577900000000, -0.0000346600000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001213800000000, 0.0012597100000000, 0.0000983100000000 ] - [ 0.0000002400000000, -0.0001124400000000, -0.0000553800000000 ] - [ -0.0004805300000000, 0.0016926900000000, 0.0005717500000000 ] - [ 0.0007624100000000, 0.0022402200000000, 0.0007196600000000 ] - [ -0.0003460300000000, 0.0062098700000000, -0.0000374100000000 ] - [ -0.0000422600000000, 0.0009197000000000, -0.0001718500000000 ] - [ -0.0004164500000000, 0.0012176000000000, -0.0003831100000000 ] - [ 0.0005448200000000, 0.0009709800000000, -0.0002554500000000 ] - [ 0.0006690400000000, -0.0011647800000000, -0.0005326900000000 ] - [ -0.0005719100000000, -0.0009228700000000, -0.0004963300000000 ] - [ -0.0001741700000000, -0.0021733000000000, 0.0001181100000000 ] - [ -0.0000505000000000, -0.0008170500000000, -0.0001746300000000 ] - [ 0.0006610600000000, -0.0021737500000000, 0.0004967200000000 ] - [ -0.0009987300000000, -0.0020060400000000, 0.0009354300000000 ] - [ -0.0169179300000000, -0.1158858100000000, 0.0270983800000000 ] - [ -0.0000392400000000, -0.0000292100000000, -0.0000540800000000 ] - [ 0.0001590700000000, -0.0005263700000000, 0.0008176200000000 ] - [ 0.0000369500000000, -0.0002271900000000, 0.0001188700000000 ] - [ 0.0005614000000000, 0.0010323700000000, -0.0004329500000000 ] - [ -0.0001826900000000, 0.0007669800000000, -0.0002072300000000 ] - [ -0.0002239100000000, 0.0056714100000000, 0.0000538400000000 ] - [ -0.0001201200000000, 0.0004768800000000, 0.0000664300000000 ] - [ -0.0011231300000000, -0.0007952800000000, -0.0002735800000000 ] - [ 0.0022586700000000, -0.0005276400000000, -0.0006847800000000 ] - [ -0.0003362600000000, -0.0004348000000000, 0.0000670600000000 ] - [ 0.0006245700000000, -0.0011826700000000, 0.0002245800000000 ] - [ 0.0000845700000000, 0.0012295100000000, -0.0001215900000000 ] - [ -0.0000433400000000, 0.0001447400000000, 0.0000958000000000 ] - [ 0.0007461500000000, 0.0012701000000000, 0.0000163000000000 ] - [ -0.0008788500000000, 0.0012767000000000, -0.0001241100000000 ] - [ -0.0255216100000000, -0.1230561600000000, 0.0371862700000000 ] - [ -0.0000459900000000, -0.0003757200000000, 0.0001469300000000 ] - [ 0.0011678800000000, 0.0005829200000000, 0.0000113800000000 ] - [ 0.0003601200000000, 0.0001806400000000, -0.0000205900000000 ] - [ -0.0005499000000000, 0.0004645700000000, 0.0003898200000000 ] - [ 0.0003054900000000, 0.0002655700000000, 0.0001599400000000 ] - [ 0.0004034500000000, 0.0013559400000000, -0.0000159900000000 ] - [ 0.0006001800000000, 0.0004123400000000, -0.0000417300000000 ] - [ -0.0011433600000000, 0.0002885300000000, -0.0002074800000000 ] - [ 0.0024178500000000, 0.0018226800000000, -0.0011915600000000 ] - [ -0.0006457600000000, -0.0006276000000000, 0.0000493200000000 ] - [ -0.0004470800000000, -0.0021668300000000, -0.0003155200000000 ] - [ 0.0001835600000000, -0.0001294800000000, -0.0000891800000000 ] - [ -0.0007618300000000, 0.0000175100000000, 0.0000393400000000 ] - [ 0.0049632700000000, 0.0011281900000000, 0.0018227800000000 ] - [ -0.0002133000000000, 0.0000182300000000, 0.0002517600000000 ] - [ 0.0159021700000000, -0.0185072200000000, 0.0037111000000000 ] - [ 0.0005549500000000, -0.0005813600000000, -0.0000195600000000 ] - [ 0.0001337300000000, 0.0006387900000000, 0.0020151700000000 ] - [ 0.0001085100000000, -0.0000437800000000, 0.0005214400000000 ] - [ -0.0008146100000000, -0.0012851700000000, 0.0003730300000000 ] - [ 0.0004245000000000, -0.0012952300000000, -0.0002981600000000 ] - [ 0.0075313100000000, -0.0318983600000000, -0.0392005900000000 ] - [ -0.0000829400000000, -0.0002407700000000, 0.0003438200000000 ] - [ 0.0006565900000000, 0.0003386700000000, 0.0002886800000000 ] - [ -0.0007748200000000, 0.0004038700000000, 0.0005372400000000 ] - [ 0.0004054800000000, 0.0012676700000000, -0.0008239500000000 ] - [ -0.0005303200000000, 0.0014990200000000, -0.0009193700000000 ] - [ -0.0001666100000000, 0.0004861900000000, -0.0023151000000000 ] - [ -0.0000349400000000, -0.0001742800000000, 0.0003911900000000 ] - [ -0.0005851000000000, -0.0004403800000000, -0.0013563300000000 ] - [ 0.0007104800000000, -0.0003616700000000, -0.0012323300000000 ] - [ 0.0000078500000000, 0.0028299200000000, 0.0008882200000000 ] - [ 0.0001026800000000, 0.0004744200000000, 0.0005552600000000 ] - [ 0.0048141500000000, -0.0304111400000000, -0.0321434500000000 ] - [ 0.0000165700000000, -0.0005883800000000, -0.0003091200000000 ] - [ 0.0021573300000000, -0.0000725800000000, 0.0008254900000000 ] - [ -0.0014688800000000, -0.0000799700000000, 0.0003565300000000 ] - [ -0.0000421900000000, 0.0001781100000000, -0.0036397600000000 ] - [ -0.0000257600000000, 0.0000774900000000, -0.0004187300000000 ] - [ -0.0000362300000000, -0.0008608700000000, 0.0004162900000000 ] - [ 0.0001024000000000, -0.0011125300000000, 0.0001920800000000 ] - [ -0.0011222000000000, 0.0009689700000000, 0.0004501800000000 ] - [ 0.0012066700000000, 0.0012515000000000, 0.0000189500000000 ] - [ -0.0001622200000000, 0.0023871300000000, -0.0001599500000000 ] - [ -0.0000117400000000, 0.0000849600000000, -0.0002551100000000 ] - [ 0.0000441600000000, 0.0004329300000000, 0.0002586700000000 ] - [ 0.0000863400000000, 0.0003544500000000, 0.0003123700000000 ] - [ -0.0001795900000000, 0.0012696400000000, 0.0009725300000000 ] - [ 0.0000343200000000, 0.0004101600000000, -0.0001834200000000 ] - [ 0.0149291200000000, -0.0172248000000000, 0.0034838900000000 ] - [ 0.0000274100000000, -0.0006850800000000, 0.0001057200000000 ] - [ 0.0008529200000000, 0.0002648800000000, -0.0000043500000000 ] - [ -0.0051108800000000, 0.0019074400000000, 0.0017157400000000 ] - [ -0.0006080100000000, 0.0002632900000000, -0.0004550200000000 ] - [ 0.0001910500000000, 0.0001637800000000, 0.0000603000000000 ] - [ -0.0008024200000000, -0.0013859700000000, 0.0004169600000000 ] - [ 0.0000548300000000, -0.0006505300000000, -0.0000954900000000 ] - [ -0.0048817200000000, 0.0022031200000000, -0.0015440800000000 ] - [ 0.0008823800000000, 0.0003377700000000, -0.0001462100000000 ] - [ -0.0000635700000000, 0.0017433300000000, 0.0001155300000000 ] - [ 0.0000185700000000, 0.0001709000000000, 0.0001468100000000 ] - [ 0.0001403600000000, 0.0001703500000000, -0.0001832100000000 ] - [ -0.0001303000000000, 0.0006910400000000, -0.0002159800000000 ] - [ -0.0005808300000000, 0.0022288300000000, -0.0000307500000000 ] - [ -0.0004523900000000, 0.0003623900000000, 0.0000203800000000 ] - [ 0.0003384100000000, 0.0022287500000000, -0.0000265100000000 ] - [ 0.0006014000000000, 0.0022293600000000, -0.0000859600000000 ] - [ 0.0003046700000000, -0.0110639900000000, -0.0107242500000000 ] - [ -0.0001286400000000, 0.0002180200000000, -0.0001045700000000 ] - [ -0.0003802100000000, 0.0003742500000000, -0.0000119200000000 ] - [ 0.0007131500000000, 0.0003807400000000, 0.0000831900000000 ] - [ -0.0001917500000000, 0.0041895000000000, -0.0012774600000000 ] - [ 0.0001399800000000, 0.0001902900000000, -0.0000832100000000 ] - [ 0.0010945600000000, -0.0084956800000000, 0.0044892800000000 ] - [ 0.0000523900000000, 0.0000632200000000, -0.0000448100000000 ] - [ 0.0000452700000000, -0.0015743100000000, -0.0000477000000000 ] - [ 0.0000877400000000, -0.0016133800000000, -0.0000087000000000 ] - [ -0.0000219300000000, -0.0019781200000000, 0.0000683400000000 ] - [ -0.0001348700000000, -0.0004847400000000, -0.0000401800000000 ] - [ 0.0004104400000000, -0.0001225000000000, 0.0000635900000000 ] - [ -0.0006304500000000, -0.0001034000000000, 0.0000830600000000 ] - [ -0.0006201500000000, 0.3500277100000000, 0.0060395800000000 ] - [ -0.0006142500000000, 0.0012516500000000, -0.0000587500000000 ] - [ 0.0014745300000000, 0.0035410900000000, -0.0004910500000000 ] - [ 0.0004171900000000, 0.0038125000000000, 0.0003694200000000 ] - [ 0.0005005300000000, 0.0001531400000000, 0.0010468400000000 ] - [ 0.0006695000000000, 0.0004175400000000, -0.0000745500000000 ] - [ 0.0015445400000000, -0.0124707700000000, 0.0000914600000000 ] - [ 0.0006290200000000, -0.0015925400000000, -0.0002494300000000 ] - [ -0.0009653600000000, -0.0036603200000000, 0.0004970200000000 ] - [ -0.0005659700000000, -0.0036567600000000, 0.0005181600000000 ] - [ 0.0061263900000000, -0.0014694200000000, 0.0020514300000000 ] - [ -0.0045652200000000, -0.0019726100000000, 0.0018036900000000 ] - [ -0.0007863500000000, -0.0020629900000000, -0.0000303100000000 ] - [ -0.0007930000000000, -0.0000510000000000, -0.0002308200000000 ] - [ -0.0065938300000000, -0.0000820300000000, -0.0015902800000000 ] - [ 0.0057219100000000, -0.0000860200000000, -0.0021988100000000 ] - [ -0.0003847700000000, 0.0036390900000000, 0.0003506800000000 ] - [ -0.0000302800000000, 0.0007599500000000, -0.0000664600000000 ] - [ 0.0054265300000000, -0.0038248600000000, 0.0042987800000000 ] - [ -0.0006300700000000, 0.0000201700000000, 0.0002617800000000 ] - [ 0.0034361300000000, -0.0039137100000000, -0.0029287300000000 ] - [ -0.0006868700000000, -0.0001316800000000, -0.0002188200000000 ] - [ -0.0008587100000000, 0.0040930700000000, 0.0020048700000000 ] - [ 0.0001343400000000, 0.0006705100000000, 0.0000618800000000 ] - [ -0.0038416300000000, -0.0048247600000000, 0.0032350900000000 ] - [ 0.0006447100000000, -0.0003451800000000, 0.0002044700000000 ] - [ -0.0061574900000000, -0.0036871200000000, -0.0057554800000000 ] - [ 0.0005751300000000, 0.0000969600000000, -0.0001713600000000 ] - [ -0.0002103700000000, -0.0017328200000000, -0.0002752400000000 ] - [ 0.0001374600000000, -0.0006082600000000, -0.0000667400000000 ] - [ 0.0000615700000000, -0.0017528400000000, -0.0000079200000000 ] - [ -0.0000383300000000, -0.0005382000000000, 0.0000346500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000171300000000, -0.0002866100000000, -0.0008572700000000 ] - [ 0.0000001700000000, -0.0004718200000000, -0.0002431200000000 ] - [ 0.0004373200000000, 0.0000723100000000, -0.0002595200000000 ] - [ -0.0004656100000000, -0.0002733300000000, -0.0004140000000000 ] - [ -0.0000044800000000, 0.0004355300000000, 0.0011678900000000 ] - [ -0.0000556900000000, 0.0003703300000000, 0.0000575600000000 ] - [ -0.0002300200000000, -0.0000719900000000, 0.0002059000000000 ] - [ 0.0002014600000000, -0.0001551700000000, 0.0003040900000000 ] - [ 0.0008951800000000, 0.0008032100000000, -0.0005080200000000 ] - [ -0.0009401600000000, 0.0009977800000000, -0.0003787200000000 ] - [ -0.0001681600000000, -0.0021067200000000, -0.0044726000000000 ] - [ -0.0000607200000000, -0.0005674300000000, -0.0003324600000000 ] - [ -0.0012097300000000, -0.0011007000000000, 0.0004583600000000 ] - [ 0.0018572000000000, -0.0015360300000000, 0.0009439600000000 ] - [ -0.0049600200000000, -0.0277012100000000, 0.0245969400000000 ] - [ -0.0000451500000000, 0.0003961900000000, 0.0000844500000000 ] - [ -0.0002762800000000, -0.0014977600000000, -0.0037065000000000 ] - [ 0.0000119000000000, -0.0000667600000000, -0.0001164200000000 ] - [ 0.0001867500000000, 0.0000400700000000, -0.0005380700000000 ] - [ -0.0000802800000000, 0.0000959300000000, -0.0003900000000000 ] - [ -0.0000850100000000, -0.0000833600000000, 0.0012674800000000 ] - [ -0.0000735700000000, -0.0000171800000000, 0.0002545300000000 ] - [ -0.0007344400000000, 0.0005023100000000, 0.0003209900000000 ] - [ 0.0009741800000000, 0.0003438400000000, 0.0012226300000000 ] - [ 0.0004485200000000, -0.0002657000000000, -0.0009085900000000 ] - [ -0.0004565000000000, -0.0005908000000000, -0.0016848800000000 ] - [ 0.0000076800000000, 0.0001482300000000, -0.0009761000000000 ] - [ -0.0000680900000000, -0.0000930400000000, -0.0000319800000000 ] - [ -0.0001286300000000, -0.0008145000000000, 0.0005610500000000 ] - [ 0.0003131800000000, -0.0003601700000000, 0.0002726100000000 ] - [ -0.0081933600000000, -0.0354175500000000, 0.0280014200000000 ] - [ -0.0000313400000000, 0.0000380100000000, 0.0003218200000000 ] - [ 0.0003508400000000, 0.0004425900000000, -0.0011613700000000 ] - [ 0.0004948700000000, 0.0001355200000000, -0.0002065100000000 ] - [ -0.0000382900000000, 0.0000959700000000, -0.0013207300000000 ] - [ -0.0000730300000000, 0.0002119200000000, -0.0001235400000000 ] - [ 0.0008506700000000, -0.0003122000000000, -0.0003740100000000 ] - [ 0.0002821000000000, -0.0001446500000000, -0.0000835100000000 ] - [ -0.0008900100000000, 0.0002973200000000, 0.0000949000000000 ] - [ 0.0007154700000000, 0.0011165700000000, 0.0002643100000000 ] - [ -0.0000198200000000, -0.0000060400000000, -0.0002730600000000 ] - [ -0.0054962400000000, 0.0000866700000000, -0.0030081400000000 ] - [ -0.0004008900000000, -0.0004756500000000, -0.0016595400000000 ] - [ -0.0005543000000000, 0.0000796400000000, -0.0002090600000000 ] - [ -0.0027847500000000, -0.0022789200000000, 0.0005939200000000 ] - [ 0.0009679900000000, -0.0000842600000000, 0.0001530900000000 ] - [ 0.0259281600000000, -0.0037963900000000, 0.0210128300000000 ] - [ 0.0004259500000000, -0.0000633500000000, 0.0003198500000000 ] - [ 0.0000429400000000, -0.0015063700000000, -0.0016604600000000 ] - [ 0.0000322400000000, -0.0001196900000000, 0.0002845500000000 ] - [ 0.0021283700000000, 0.0001547600000000, -0.0005160600000000 ] - [ -0.0012012300000000, -0.0000272800000000, -0.0005604600000000 ] - [ -0.0173680600000000, 0.0359008500000000, 0.1092667600000000 ] - [ -0.0001849800000000, 0.0002040400000000, 0.0007083500000000 ] - [ -0.0006134600000000, -0.0006627800000000, -0.0010168700000000 ] - [ 0.0003213700000000, -0.0005698500000000, -0.0008217300000000 ] - [ 0.0002007600000000, 0.0001724200000000, -0.0004030900000000 ] - [ -0.0003790300000000, 0.0003509700000000, -0.0004927700000000 ] - [ 0.0000083800000000, 0.0019530500000000, -0.0028095600000000 ] - [ -0.0000955100000000, 0.0000154100000000, 0.0002416700000000 ] - [ -0.0005870500000000, 0.0006554800000000, -0.0005442100000000 ] - [ 0.0008513100000000, 0.0005317400000000, -0.0003585200000000 ] - [ 0.0001622500000000, 0.0005717600000000, 0.0010373300000000 ] - [ 0.0000627400000000, 0.0001502400000000, 0.0005841600000000 ] - [ -0.0147112500000000, 0.0354225000000000, 0.1117035100000000 ] - [ -0.0000811500000000, -0.0002161200000000, -0.0000396500000000 ] - [ 0.0001105400000000, 0.0000767800000000, 0.0021020800000000 ] - [ -0.0001873900000000, 0.0007122200000000, 0.0019364800000000 ] - [ -0.0001497400000000, 0.0029415600000000, -0.0049742500000000 ] - [ -0.0000897300000000, 0.0003035600000000, -0.0005003800000000 ] - [ -0.0003022300000000, -0.0001554800000000, -0.0018160500000000 ] - [ 0.0003426100000000, -0.0003409700000000, -0.0022776000000000 ] - [ 0.0000686700000000, 0.0004833900000000, 0.0015021100000000 ] - [ -0.0003641500000000, 0.0002177200000000, 0.0017998700000000 ] - [ 0.0000217300000000, 0.0001948800000000, 0.0003461300000000 ] - [ -0.0000294300000000, -0.0002172100000000, -0.0001708500000000 ] - [ -0.0000072000000000, -0.0002314700000000, -0.0002530000000000 ] - [ -0.0000135800000000, -0.0002015500000000, -0.0002303200000000 ] - [ 0.0001227000000000, -0.0004388400000000, -0.0018648000000000 ] - [ 0.0000096400000000, 0.0002548200000000, -0.0004994100000000 ] - [ 0.0274418100000000, -0.0039119800000000, 0.0217624900000000 ] - [ -0.0000552700000000, -0.0002116400000000, 0.0004273400000000 ] - [ -0.0003463900000000, 0.0000313300000000, 0.0002023900000000 ] - [ 0.0019855700000000, -0.0012277400000000, 0.0013984600000000 ] - [ 0.0000979000000000, 0.0002094600000000, -0.0013948500000000 ] - [ -0.0000254900000000, 0.0002122300000000, -0.0000859700000000 ] - [ 0.0026849700000000, 0.0000030800000000, -0.0034093500000000 ] - [ -0.0004594100000000, -0.0002183800000000, -0.0006237900000000 ] - [ -0.0014904400000000, 0.0014721300000000, 0.0006758000000000 ] - [ 0.0002244700000000, 0.0003435900000000, 0.0002160100000000 ] - [ -0.0001178600000000, -0.0002105700000000, 0.0005918100000000 ] - [ -0.0001168300000000, -0.0002492800000000, 0.0002524000000000 ] - [ 0.0001997400000000, -0.0002713200000000, -0.0002833800000000 ] - [ 0.0000068600000000, -0.0002393900000000, -0.0004815100000000 ] - [ -0.0006284500000000, -0.0002100000000000, 0.0005863500000000 ] - [ -0.0006220100000000, -0.0001258700000000, 0.0001628200000000 ] - [ 0.0008175100000000, -0.0000438100000000, -0.0021835900000000 ] - [ 0.0010310100000000, -0.0000461700000000, -0.0020632000000000 ] - [ 0.0005542100000000, 0.0111956000000000, -0.0027528700000000 ] - [ -0.0000458700000000, 0.0001947100000000, -0.0001699700000000 ] - [ 0.0002263300000000, 0.0002123400000000, 0.0009395900000000 ] - [ 0.0000484100000000, 0.0001251200000000, 0.0009323500000000 ] - [ 0.0007793100000000, -0.0018041300000000, 0.0121732300000000 ] - [ 0.0001801900000000, -0.0001581300000000, 0.0000699500000000 ] - [ 0.0003421300000000, -0.0038923800000000, 0.0000819900000000 ] - [ 0.0001630300000000, 0.0000950100000000, -0.0001854400000000 ] - [ 0.0000106600000000, -0.0000922500000000, -0.0004174500000000 ] - [ 0.0002081200000000, -0.0001183000000000, -0.0003743700000000 ] - [ -0.0001312100000000, 0.0000072000000000, 0.0003889300000000 ] - [ -0.0000902500000000, -0.0001258800000000, 0.0000129200000000 ] - [ -0.0001235100000000, 0.0000369800000000, 0.0008302200000000 ] - [ -0.0001985100000000, -0.0000029700000000, 0.0009169400000000 ] - [ -0.0135820000000000, -0.0061910100000000, -0.3276519200000000 ] - [ -0.0003615200000000, -0.0002705200000000, -0.0009984800000000 ] - [ -0.0037935400000000, -0.0008277100000000, 0.0042448500000000 ] - [ 0.0055268900000000, 0.0000318000000000, 0.0047092300000000 ] - [ 0.0008343500000000, 0.0013908500000000, 0.0093051300000000 ] - [ 0.0008058800000000, 0.0002467700000000, 0.0004897000000000 ] - [ 0.0008086200000000, -0.0004415100000000, -0.0025173400000000 ] - [ 0.0008333600000000, -0.0001067300000000, -0.0006563400000000 ] - [ -0.0013989500000000, 0.0001683100000000, 0.0011721500000000 ] - [ -0.0001377400000000, 0.0001425900000000, 0.0011779900000000 ] - [ 0.0027152400000000, -0.0017140500000000, -0.0012039200000000 ] - [ -0.0013335800000000, -0.0014666400000000, -0.0019841800000000 ] - [ -0.0007158300000000, 0.0002968900000000, 0.0068136500000000 ] - [ -0.0005683800000000, 0.0000914300000000, 0.0005417400000000 ] - [ 0.0027688500000000, 0.0025259900000000, -0.0020784300000000 ] - [ -0.0037207800000000, 0.0019071100000000, -0.0020746000000000 ] - [ 0.0062869400000000, -0.0011248500000000, 0.0080246300000000 ] - [ -0.0005092000000000, 0.0000882700000000, 0.0003002000000000 ] - [ 0.0024633500000000, -0.0035731800000000, 0.0003079700000000 ] - [ -0.0001879300000000, -0.0000916400000000, -0.0002747400000000 ] - [ -0.0025186500000000, 0.0041277400000000, -0.0008672200000000 ] - [ 0.0004380700000000, 0.0001340700000000, -0.0001873100000000 ] - [ -0.0055798800000000, -0.0033526400000000, 0.0069682000000000 ] - [ 0.0006289000000000, -0.0000785700000000, 0.0003424500000000 ] - [ -0.0015464300000000, -0.0022515600000000, 0.0000751800000000 ] - [ 0.0003408400000000, -0.0001628700000000, -0.0001904400000000 ] - [ 0.0043247800000000, 0.0058539300000000, -0.0006140900000000 ] - [ -0.0003435700000000, 0.0000527200000000, -0.0002758700000000 ] - [ 0.0001171900000000, 0.0005523300000000, 0.0003531300000000 ] - [ -0.0000926300000000, 0.0001229900000000, 0.0001523800000000 ] - [ -0.0001484300000000, 0.0001799900000000, 0.0002939100000000 ] - [ 0.0001318600000000, 0.0001099000000000, 0.0001603600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000313400000000, -0.0006104700000000, 0.0006416800000000 ] - [ 0.0000479300000000, -0.0004326200000000, 0.0000246800000000 ] - [ -0.0004031800000000, 0.0008432600000000, 0.0004870500000000 ] - [ 0.0005143700000000, 0.0011775700000000, 0.0006316700000000 ] - [ -0.0000304700000000, 0.0004698300000000, -0.0014005800000000 ] - [ 0.0000070400000000, 0.0005326700000000, -0.0002766400000000 ] - [ 0.0001819200000000, -0.0008303100000000, 0.0000129500000000 ] - [ -0.0002512800000000, -0.0007501100000000, -0.0000838700000000 ] - [ -0.0009475700000000, 0.0000950300000000, 0.0007234800000000 ] - [ 0.0008960900000000, -0.0001005000000000, 0.0005926500000000 ] - [ 0.0001193700000000, 0.0011911700000000, 0.0042533800000000 ] - [ 0.0000002700000000, -0.0003329800000000, 0.0001198800000000 ] - [ 0.0012589400000000, 0.0001961400000000, -0.0002301300000000 ] - [ -0.0017923800000000, 0.0006309100000000, -0.0007198200000000 ] - [ 0.0050157200000000, 0.0286822900000000, -0.0245254200000000 ] - [ 0.0000944100000000, 0.0005068500000000, -0.0003034700000000 ] - [ 0.0003529300000000, 0.0014149200000000, 0.0039202200000000 ] - [ 0.0000651900000000, -0.0000268300000000, 0.0003310800000000 ] - [ -0.0001085400000000, 0.0000529700000000, 0.0003237500000000 ] - [ 0.0001604700000000, -0.0000047500000000, 0.0001762000000000 ] - [ 0.0000062500000000, 0.0001854900000000, -0.0010516600000000 ] - [ -0.0000065100000000, 0.0001090600000000, -0.0000407500000000 ] - [ 0.0006620400000000, -0.0006059300000000, -0.0005271000000000 ] - [ -0.0010578400000000, -0.0004456000000000, -0.0014275100000000 ] - [ -0.0005296600000000, 0.0003627800000000, 0.0006936500000000 ] - [ 0.0003833000000000, 0.0006899800000000, 0.0014705900000000 ] - [ -0.0000883900000000, -0.0002480200000000, 0.0011890500000000 ] - [ -0.0000119900000000, -0.0000012800000000, 0.0002451300000000 ] - [ 0.0002081000000000, 0.0007241000000000, -0.0007731400000000 ] - [ -0.0002346700000000, 0.0002684700000000, -0.0004857400000000 ] - [ 0.0081929400000000, 0.0351662800000000, -0.0280596500000000 ] - [ 0.0001097200000000, 0.0000554700000000, -0.0001090500000000 ] - [ 0.0007472200000000, -0.0002389000000000, 0.0011762300000000 ] - [ 0.0005970500000000, 0.0000634900000000, 0.0002194900000000 ] - [ 0.0001058200000000, 0.0003426200000000, 0.0015497300000000 ] - [ 0.0001406000000000, 0.0002232300000000, 0.0003427900000000 ] - [ 0.0002397600000000, 0.0001214700000000, 0.0003643500000000 ] - [ 0.0008109600000000, -0.0000551900000000, 0.0000710900000000 ] - [ -0.0002048700000000, -0.0000989200000000, -0.0001083400000000 ] - [ -0.0018121700000000, -0.0009185700000000, -0.0002696200000000 ] - [ -0.0010779700000000, -0.0001941900000000, 0.0002590000000000 ] - [ 0.0044477800000000, -0.0002864500000000, 0.0030093300000000 ] - [ -0.0006966800000000, 0.0006702900000000, 0.0016740900000000 ] - [ -0.0005361500000000, 0.0001232200000000, 0.0002245200000000 ] - [ 0.0038640300000000, 0.0024717200000000, -0.0005953500000000 ] - [ 0.0001222500000000, 0.0002885900000000, -0.0001667200000000 ] - [ -0.0247077700000000, 0.0035781300000000, -0.0207002600000000 ] - [ 0.0006721000000000, -0.0001376500000000, -0.0003071600000000 ] - [ 0.0001290400000000, 0.0012692200000000, 0.0025706800000000 ] - [ 0.0001394200000000, -0.0001121600000000, 0.0006242200000000 ] - [ -0.0019679200000000, 0.0000696800000000, -0.0004000400000000 ] - [ 0.0013717500000000, 0.0002595500000000, -0.0003608900000000 ] - [ 0.0184031400000000, -0.0385792100000000, -0.1144108600000000 ] - [ 0.0000157800000000, 0.0000270300000000, 0.0001965400000000 ] - [ 0.0004411000000000, 0.0004321700000000, 0.0001139000000000 ] - [ -0.0004925800000000, 0.0003379100000000, -0.0000810000000000 ] - [ -0.0003727700000000, 0.0000598200000000, -0.0005085500000000 ] - [ 0.0002069700000000, -0.0001208500000000, -0.0004163300000000 ] - [ -0.0001786400000000, -0.0021711600000000, 0.0037135900000000 ] - [ -0.0000822500000000, -0.0002581800000000, 0.0006645700000000 ] - [ 0.0007542300000000, -0.0008836500000000, -0.0003555600000000 ] - [ -0.0006720500000000, -0.0007707100000000, -0.0005391900000000 ] - [ 0.0000090500000000, -0.0003404100000000, -0.0001318300000000 ] - [ 0.0001086300000000, 0.0000798600000000, 0.0003223600000000 ] - [ 0.0137149000000000, -0.0333487200000000, -0.1060748600000000 ] - [ 0.0001017900000000, -0.0002688700000000, -0.0005636500000000 ] - [ -0.0000686200000000, 0.0004277800000000, -0.0015011500000000 ] - [ 0.0002155500000000, -0.0002106100000000, -0.0013354400000000 ] - [ 0.0001148100000000, -0.0024752700000000, 0.0043962500000000 ] - [ 0.0000559600000000, 0.0001893200000000, -0.0001002900000000 ] - [ 0.0002597600000000, -0.0003384600000000, 0.0024110300000000 ] - [ -0.0003553700000000, -0.0001453900000000, 0.0028817200000000 ] - [ -0.0001164500000000, 0.0000100900000000, -0.0009231300000000 ] - [ 0.0003281900000000, 0.0002744500000000, -0.0012051600000000 ] - [ -0.0000556300000000, -0.0006916900000000, -0.0009452100000000 ] - [ -0.0000049800000000, -0.0002792900000000, -0.0004275600000000 ] - [ 0.0000400900000000, -0.0002624900000000, 0.0008553300000000 ] - [ 0.0000479400000000, -0.0002923900000000, 0.0008300800000000 ] - [ -0.0000734800000000, 0.0009359100000000, 0.0012790100000000 ] - [ 0.0000257600000000, 0.0002369800000000, -0.0000993100000000 ] - [ -0.0274972300000000, 0.0034949900000000, -0.0218578600000000 ] - [ 0.0001202900000000, -0.0002245800000000, -0.0002240200000000 ] - [ 0.0004171200000000, 0.0004068100000000, -0.0004167900000000 ] - [ -0.0019204300000000, 0.0016656300000000, -0.0016043200000000 ] - [ -0.0001606100000000, 0.0002220900000000, 0.0016111000000000 ] - [ -0.0000427200000000, 0.0002236300000000, 0.0003016100000000 ] - [ -0.0027706900000000, -0.0004364600000000, 0.0031952000000000 ] - [ 0.0003938600000000, -0.0002172300000000, 0.0004183300000000 ] - [ 0.0014272800000000, -0.0010415700000000, -0.0008987800000000 ] - [ -0.0002935900000000, 0.0000908300000000, -0.0004343000000000 ] - [ 0.0000504500000000, -0.0002256800000000, -0.0003763600000000 ] - [ 0.0000493000000000, -0.0001883900000000, -0.0000367600000000 ] - [ -0.0001348300000000, -0.0001639700000000, 0.0000680700000000 ] - [ 0.0000616200000000, -0.0001977600000000, 0.0002650400000000 ] - [ -0.0004599300000000, 0.0000185600000000, -0.0005799300000000 ] - [ -0.0004709300000000, -0.0000749300000000, -0.0001508700000000 ] - [ -0.0010823100000000, -0.0002405300000000, 0.0023316100000000 ] - [ -0.0012480100000000, -0.0002431300000000, 0.0022010700000000 ] - [ -0.0007933700000000, -0.0108647900000000, 0.0025798300000000 ] - [ -0.0001944800000000, 0.0000948300000000, 0.0000305100000000 ] - [ 0.0000168200000000, 0.0000802900000000, -0.0008005100000000 ] - [ 0.0001882300000000, 0.0001692500000000, -0.0007945500000000 ] - [ -0.0005370300000000, 0.0015090200000000, -0.0123989400000000 ] - [ 0.0000607000000000, -0.0001339400000000, -0.0002110800000000 ] - [ -0.0001110100000000, 0.0041862800000000, -0.0002322000000000 ] - [ 0.0000797100000000, 0.0001954300000000, 0.0000465200000000 ] - [ 0.0002337900000000, -0.0002060200000000, 0.0005613800000000 ] - [ 0.0000324500000000, -0.0001709200000000, 0.0005141100000000 ] - [ -0.0001149900000000, -0.0003070000000000, -0.0005298800000000 ] - [ -0.0001496400000000, -0.0001649200000000, -0.0001517400000000 ] - [ -0.0001090500000000, 0.0002513400000000, -0.0007019000000000 ] - [ -0.0000474500000000, 0.0002916800000000, -0.0007782000000000 ] - [ 0.0121130700000000, 0.0064822100000000, 0.3271438200000000 ] - [ -0.0010179800000000, -0.0000949600000000, 0.0006919000000000 ] - [ 0.0051939000000000, 0.0004686000000000, -0.0039353900000000 ] - [ -0.0041880500000000, -0.0004023400000000, -0.0043879500000000 ] - [ 0.0005389000000000, -0.0010041800000000, -0.0096276900000000 ] - [ 0.0005678900000000, 0.0001186000000000, -0.0007949200000000 ] - [ 0.0005583900000000, 0.0000647800000000, 0.0022194600000000 ] - [ 0.0005420500000000, -0.0002509400000000, 0.0003508000000000 ] - [ 0.0000325300000000, -0.0005471200000000, -0.0008685900000000 ] - [ -0.0012384400000000, -0.0005012300000000, -0.0008692000000000 ] - [ -0.0013384800000000, 0.0020888500000000, 0.0015151200000000 ] - [ 0.0027129600000000, 0.0018375700000000, 0.0022765400000000 ] - [ -0.0006686000000000, 0.0000468000000000, -0.0071312600000000 ] - [ -0.0008039600000000, 0.0002729800000000, -0.0008468000000000 ] - [ -0.0041453000000000, -0.0021777400000000, 0.0023623100000000 ] - [ 0.0023527600000000, -0.0015463000000000, 0.0023627500000000 ] - [ -0.0062525700000000, 0.0012210300000000, -0.0080023300000000 ] - [ 0.0005062500000000, 0.0000076300000000, -0.0003031900000000 ] - [ -0.0024618800000000, 0.0034745000000000, -0.0002832200000000 ] - [ 0.0001867500000000, -0.0000050500000000, 0.0002775800000000 ] - [ 0.0025155400000000, -0.0042400300000000, 0.0008832300000000 ] - [ -0.0004380000000000, -0.0002325800000000, 0.0001889800000000 ] - [ 0.0055494200000000, 0.0034338300000000, -0.0069546400000000 ] - [ -0.0006229800000000, 0.0001704600000000, -0.0003452900000000 ] - [ 0.0015427900000000, 0.0021487600000000, -0.0000582300000000 ] - [ -0.0003409900000000, 0.0000690000000000, 0.0001924500000000 ] - [ -0.0043414700000000, -0.0059495300000000, 0.0006441900000000 ] - [ 0.0003595500000000, -0.0001452700000000, 0.0002781100000000 ] - [ -0.0001166200000000, -0.0004584500000000, -0.0003567800000000 ] - [ 0.0000924400000000, -0.0000284900000000, -0.0001534500000000 ] - [ 0.0001467700000000, -0.0000843200000000, -0.0002971400000000 ] - [ -0.0001309300000000, -0.0000148700000000, -0.0001615300000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003186800000000, -0.0010395700000000, -0.0000094000000000 ] - [ -0.0002274700000000, -0.0002725600000000, -0.0001244000000000 ] - [ 0.0002651100000000, 0.0006597600000000, 0.0000704900000000 ] - [ -0.0001953300000000, 0.0003396400000000, 0.0001353800000000 ] - [ 0.0002141500000000, 0.0002479500000000, -0.0001486400000000 ] - [ -0.0002445600000000, 0.0005691400000000, -0.0000834100000000 ] - [ 0.0002701300000000, 0.0001311600000000, 0.0002094400000000 ] - [ -0.0002775500000000, -0.0006318200000000, 0.0000944400000000 ] - [ 0.0004638800000000, -0.0002435400000000, -0.0006521700000000 ] - [ -0.0003483300000000, 0.0006114700000000, 0.0002097700000000 ] - [ 0.0024305500000000, 0.0007022300000000, -0.0001069400000000 ] - [ -0.0006352600000000, -0.0008643500000000, -0.0002886000000000 ] - [ 0.0025887700000000, -0.0015454100000000, 0.0000449100000000 ] - [ -0.0005837600000000, -0.0000460400000000, -0.0000682800000000 ] - [ 0.0005106300000000, 0.0011518600000000, -0.0008706300000000 ] - [ -0.0002984600000000, 0.0002939700000000, -0.0000087600000000 ] - [ -0.0000445900000000, -0.0012372900000000, 0.0011087400000000 ] - [ -0.0004252600000000, 0.0002467000000000, -0.0000930700000000 ] - [ 0.0003102700000000, -0.0000961300000000, -0.0001887200000000 ] - [ -0.0001812600000000, 0.0000911200000000, -0.0000714100000000 ] - [ 0.0002331400000000, 0.0001867400000000, 0.0000232600000000 ] - [ -0.0002576700000000, -0.0000009600000000, 0.0001414700000000 ] - [ -0.0001130600000000, 0.0011532400000000, 0.0008974200000000 ] - [ -0.0005002000000000, -0.0003349000000000, -0.0003044500000000 ] - [ -0.0000467400000000, 0.0006795000000000, -0.0012414100000000 ] - [ -0.0004268200000000, 0.0000187100000000, 0.0001018600000000 ] - [ 0.0003000600000000, 0.0003143700000000, 0.0002469200000000 ] - [ -0.0002807500000000, -0.0001910500000000, 0.0000623600000000 ] - [ 0.0003785300000000, -0.0004034200000000, 0.0000330000000000 ] - [ -0.0002038500000000, 0.0000999400000000, -0.0001505000000000 ] - [ 0.0000237800000000, -0.0005866400000000, -0.0010236900000000 ] - [ -0.0003511100000000, 0.0000731800000000, 0.0003160800000000 ] - [ 0.0001215100000000, -0.0004199300000000, 0.0002023500000000 ] - [ 0.0001153900000000, 0.0004252300000000, -0.0001950500000000 ] - [ 0.0016340400000000, 0.0001083000000000, 0.0004828700000000 ] - [ -0.0005603600000000, 0.0002279000000000, 0.0000177800000000 ] - [ 0.0010620700000000, -0.0001363500000000, -0.0000272800000000 ] - [ 0.0001757500000000, -0.0000793300000000, 0.0000311000000000 ] - [ -0.0009678200000000, 0.0006255700000000, 0.0001916100000000 ] - [ -0.0009800000000000, -0.0002191600000000, -0.0002057300000000 ] - [ -0.0011405500000000, -0.0001525400000000, -0.0006481400000000 ] - [ -0.0010490500000000, -0.0001058100000000, 0.0001815700000000 ] - [ 0.0018929600000000, 0.0004722600000000, 0.0000312800000000 ] - [ -0.0011596100000000, 0.0000942800000000, 0.0000500900000000 ] - [ 0.0029973500000000, -0.0002632200000000, 0.0000154700000000 ] - [ -0.0000668600000000, 0.0001080300000000, 0.0000392100000000 ] - [ -0.0000486600000000, -0.0000505200000000, -0.0006359100000000 ] - [ 0.0000457600000000, -0.0000972800000000, 0.0001937200000000 ] - [ 0.0003279500000000, 0.0009149100000000, 0.0003517900000000 ] - [ -0.0002293600000000, -0.0002660000000000, 0.0004302100000000 ] - [ 0.0004927900000000, 0.0002320000000000, -0.0007668000000000 ] - [ -0.0002401500000000, 0.0000627300000000, -0.0003777100000000 ] - [ 0.0003140600000000, -0.0000032500000000, 0.0001348300000000 ] - [ -0.0004149200000000, 0.0001666900000000, 0.0005256500000000 ] - [ 0.0001555100000000, -0.0011465700000000, -0.0005510400000000 ] - [ -0.0004047900000000, 0.0000360100000000, -0.0004739800000000 ] - [ 0.0001026300000000, 0.0000984300000000, -0.0004084000000000 ] - [ -0.0002519300000000, 0.0001309500000000, -0.0004428500000000 ] - [ 0.0007141100000000, -0.0007852900000000, 0.0013696800000000 ] - [ -0.0006193400000000, 0.0001634300000000, 0.0003605400000000 ] - [ 0.0009171500000000, 0.0005170700000000, 0.0004605000000000 ] - [ -0.0004429100000000, -0.0003888700000000, -0.0005417700000000 ] - [ 0.0002782200000000, 0.0001301500000000, 0.0004954700000000 ] - [ -0.0000760100000000, 0.0000979600000000, 0.0004611300000000 ] - [ 0.0027883700000000, -0.0015399600000000, -0.0009550800000000 ] - [ -0.0006346200000000, -0.0003617100000000, 0.0000739300000000 ] - [ 0.0005069600000000, -0.0001737100000000, 0.0011779800000000 ] - [ -0.0003022900000000, 0.0003380300000000, 0.0001743600000000 ] - [ 0.0004730800000000, 0.0006717500000000, 0.0005861500000000 ] - [ -0.0003335200000000, 0.0001599600000000, -0.0004172800000000 ] - [ 0.0028761700000000, 0.0011006500000000, -0.0002719600000000 ] - [ -0.0006652000000000, -0.0001365800000000, 0.0006617400000000 ] - [ 0.0002472700000000, 0.0005777200000000, 0.0006546700000000 ] - [ -0.0002559400000000, 0.0001186400000000, 0.0001822000000000 ] - [ 0.0002381500000000, -0.0003855800000000, -0.0003928000000000 ] - [ -0.0002377900000000, -0.0001893300000000, -0.0002768200000000 ] - [ 0.0002700900000000, -0.0001131700000000, 0.0001992600000000 ] - [ -0.0002071900000000, -0.0003081200000000, 0.0003142500000000 ] - [ 0.0002773500000000, -0.0000794100000000, 0.0000650600000000 ] - [ -0.0002233400000000, 0.0003803300000000, -0.0004090400000000 ] - [ 0.0025769000000000, -0.0003564800000000, -0.0002181700000000 ] - [ -0.0006569600000000, -0.0001873800000000, 0.0000696500000000 ] - [ -0.0005114900000000, -0.0003530400000000, 0.0002629300000000 ] - [ -0.0004052100000000, 0.0004815100000000, -0.0002038600000000 ] - [ -0.0005839300000000, 0.0007910900000000, 0.0004770600000000 ] - [ -0.0004770500000000, -0.0000433800000000, 0.0000106600000000 ] - [ 0.0025216900000000, -0.0000776200000000, -0.0004293600000000 ] - [ -0.0007271600000000, -0.0002511000000000, -0.0001455900000000 ] - [ 0.0015689200000000, 0.0003245200000000, 0.0002634800000000 ] - [ -0.0006306900000000, 0.0002123700000000, -0.0001967800000000 ] - [ 0.0000396000000000, -0.0002157300000000, 0.0000525300000000 ] - [ -0.0002176900000000, -0.0002348200000000, 0.0001850200000000 ] - [ 0.0001123000000000, -0.0002231400000000, -0.0001623700000000 ] - [ -0.0001468800000000, -0.0002039900000000, -0.0000295500000000 ] - [ -0.0000310600000000, -0.0000673200000000, -0.0000168200000000 ] - [ -0.0009165000000000, -0.0001231400000000, 0.0000419800000000 ] - [ -0.0005712500000000, -0.0001763000000000, -0.0014358700000000 ] - [ 0.0005102100000000, -0.0001579700000000, 0.0001624500000000 ] - [ -0.0004914100000000, -0.0013523700000000, 0.0006517300000000 ] - [ 0.0004574400000000, 0.0003120600000000, -0.0001016800000000 ] - [ -0.0002643700000000, 0.0016522900000000, 0.0007961300000000 ] - [ 0.0006904600000000, -0.0000154600000000, 0.0000404300000000 ] - [ -0.0003288600000000, -0.0001193900000000, -0.0015737700000000 ] - [ 0.0007441100000000, -0.0001356900000000, 0.0000209900000000 ] - [ -0.0002543800000000, 0.0011325200000000, 0.0005569600000000 ] - [ 0.0006588000000000, -0.0000314500000000, -0.0002087000000000 ] - [ -0.0000854400000000, -0.0001910300000000, -0.0000810800000000 ] - [ 0.0003549500000000, -0.0001231400000000, 0.0001244300000000 ] - [ -0.0003175300000000, -0.0001030000000000, -0.0002228600000000 ] - [ 0.0001211900000000, -0.0001712900000000, -0.0000168300000000 ] - [ -0.0004954100000000, -0.0008377900000000, 0.0006982600000000 ] - [ 0.0004246000000000, 0.0003244400000000, -0.0000655600000000 ] - [ -0.0019617500000000, 0.0001931000000000, 0.0061103600000000 ] - [ 0.0010347700000000, -0.0001486600000000, -0.0006582100000000 ] - [ -0.0006033400000000, -0.0005586300000000, 0.0064293100000000 ] - [ 0.0024253800000000, -0.0002110800000000, -0.0003558900000000 ] - [ -0.0007567900000000, -0.0052451200000000, -0.0026092000000000 ] - [ 0.0022303100000000, 0.0008127200000000, 0.0000382800000000 ] - [ -0.0000903700000000, -0.0001170000000000, -0.0000020700000000 ] - [ 0.0015367100000000, -0.0002195000000000, -0.0002807000000000 ] - [ -0.0014842100000000, -0.0002417600000000, 0.0002971600000000 ] - [ 0.0001472900000000, -0.0001408000000000, 0.0000193900000000 ] - [ -0.0003359900000000, -0.0032490300000000, -0.0023655700000000 ] - [ 0.0021922200000000, 0.0008637000000000, 0.0005853100000000 ] - [ -0.0017057700000000, 0.0036086800000000, -0.0026686100000000 ] - [ 0.0007980400000000, -0.0005078800000000, 0.0002909800000000 ] - [ -0.0021713200000000, 0.0056257900000000, -0.0023175900000000 ] - [ 0.0008398600000000, -0.0004467700000000, 0.0003370700000000 ] - [ -0.0233852000000000, -0.0000744400000000, -0.0024961800000000 ] - [ 0.0009570100000000, 0.0000469300000000, 0.0000445200000000 ] - [ 0.0001823400000000, -0.0003201600000000, -0.0000447500000000 ] - [ 0.0001808900000000, 0.0002280700000000, -0.0000447300000000 ] - [ -0.0007081900000000, -0.0000454000000000, -0.0001083600000000 ] - [ 0.0004863800000000, -0.0000466800000000, 0.0000387900000000 ] - [ 0.0035675500000000, 0.0009797500000000, -0.0000587300000000 ] - [ 0.0036065300000000, -0.0009026000000000, -0.0000594300000000 ] - [ -0.0007104400000000, -0.0000453800000000, -0.0000825100000000 ] - [ 0.0004626300000000, -0.0000448500000000, 0.0000009400000000 ] - [ 0.0002082300000000, 0.0002366100000000, 0.0000043100000000 ] - [ 0.0002063500000000, -0.0003277500000000, 0.0000045600000000 ] - [ -0.0007329600000000, 0.0000452300000000, 0.0001764600000000 ] - [ 0.0004586200000000, 0.0000457600000000, -0.0000329200000000 ] - [ 0.0001403700000000, 0.0000556800000000, 0.0000611900000000 ] - [ 0.0001388000000000, 0.0000384300000000, 0.0000610800000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001188500000000, -0.0019936800000000, -0.0000651700000000 ] - [ 0.0000940700000000, -0.0006783700000000, -0.0001521100000000 ] - [ 0.0001429400000000, 0.0000414200000000, 0.0001777000000000 ] - [ -0.0000541900000000, 0.0002878100000000, 0.0001323000000000 ] - [ -0.0001429400000000, 0.0000414200000000, -0.0001777000000000 ] - [ 0.0000541900000000, 0.0002878100000000, -0.0001323000000000 ] - [ 0.0001188500000000, -0.0019936800000000, 0.0000651700000000 ] - [ -0.0000940700000000, -0.0006783700000000, 0.0001521100000000 ] - [ -0.0002125400000000, 0.0009043900000000, -0.0002354400000000 ] - [ 0.0000433000000000, 0.0006289500000000, 0.0001238800000000 ] - [ -0.0002824500000000, 0.0010546400000000, 0.0000354200000000 ] - [ -0.0001006800000000, -0.0001883700000000, -0.0000566100000000 ] - [ 0.0002824500000000, 0.0010546400000000, -0.0000354200000000 ] - [ 0.0001006800000000, -0.0001883700000000, 0.0000566100000000 ] - [ 0.0002125400000000, 0.0009043900000000, 0.0002354400000000 ] - [ -0.0000433000000000, 0.0006289500000000, -0.0001238800000000 ] - [ -0.0008815800000000, 0.0006027800000000, 0.0011761600000000 ] - [ 0.0001197700000000, 0.0001294900000000, 0.0001808700000000 ] - [ -0.0001880700000000, -0.0007813700000000, -0.0003991000000000 ] - [ 0.0000808900000000, -0.0001454500000000, -0.0001448500000000 ] - [ 0.0001880700000000, -0.0007813700000000, 0.0003991000000000 ] - [ -0.0000808900000000, -0.0001454500000000, 0.0001448500000000 ] - [ 0.0008815800000000, 0.0006027800000000, -0.0011761600000000 ] - [ -0.0001197700000000, 0.0001294900000000, -0.0001808700000000 ] - [ 0.0003407200000000, 0.0011714300000000, 0.0006458600000000 ] - [ -0.0001698000000000, 0.0003366600000000, -0.0000087600000000 ] - [ 0.0002278500000000, -0.0012852400000000, -0.0004021500000000 ] - [ -0.0001179500000000, -0.0001692900000000, 0.0000778600000000 ] - [ -0.0002278500000000, -0.0012852400000000, 0.0004021500000000 ] - [ 0.0001179500000000, -0.0001692900000000, -0.0000778600000000 ] - [ -0.0003407200000000, 0.0011714300000000, -0.0006458600000000 ] - [ 0.0001698000000000, 0.0003366600000000, 0.0000087600000000 ] - [ -0.0005219200000000, -0.0002889800000000, 0.0002038400000000 ] - [ 0.0010508300000000, 0.0000078400000000, 0.0001627400000000 ] - [ -0.0004163700000000, -0.0009150100000000, 0.0015011300000000 ] - [ 0.0000633700000000, 0.0002294300000000, 0.0001269200000000 ] - [ 0.0006199000000000, -0.0005813100000000, 0.0000310400000000 ] - [ 0.0005382800000000, -0.0001883700000000, 0.0000043700000000 ] - [ 0.0005219200000000, -0.0002889800000000, -0.0002038400000000 ] - [ -0.0010508300000000, 0.0000078400000000, -0.0001627400000000 ] - [ -0.0007170800000000, 0.0002792800000000, -0.0001559100000000 ] - [ -0.0003808700000000, 0.0002290900000000, -0.0000291000000000 ] - [ 0.0009897000000000, -0.0009915700000000, -0.0012042600000000 ] - [ -0.0005627600000000, 0.0001407000000000, 0.0000076200000000 ] - [ -0.0009897000000000, -0.0009915700000000, 0.0012042600000000 ] - [ 0.0005627600000000, 0.0001407000000000, -0.0000076200000000 ] - [ 0.0007170800000000, 0.0002792800000000, 0.0001559100000000 ] - [ 0.0003808700000000, 0.0002290900000000, 0.0000291000000000 ] - [ 0.0009102200000000, -0.0011849200000000, 0.0005774300000000 ] - [ -0.0000773400000000, -0.0001596800000000, 0.0004011700000000 ] - [ 0.0001099800000000, 0.0006045100000000, -0.0005043100000000 ] - [ 0.0000865800000000, 0.0002834300000000, -0.0004774700000000 ] - [ -0.0001099800000000, 0.0006045100000000, 0.0005043100000000 ] - [ -0.0000865800000000, 0.0002834300000000, 0.0004774700000000 ] - [ -0.0009102200000000, -0.0011849200000000, -0.0005774300000000 ] - [ 0.0000773400000000, -0.0001596800000000, -0.0004011700000000 ] - [ -0.0001293100000000, -0.0002215500000000, -0.0004033200000000 ] - [ -0.0000641100000000, -0.0000101200000000, -0.0004192600000000 ] - [ -0.0010635600000000, -0.0002368800000000, 0.0019232000000000 ] - [ 0.0000349600000000, -0.0000742900000000, 0.0004779000000000 ] - [ 0.0010635600000000, -0.0002368800000000, -0.0019232000000000 ] - [ -0.0000349600000000, -0.0000742900000000, -0.0004779000000000 ] - [ 0.0001293100000000, -0.0002215500000000, 0.0004033200000000 ] - [ 0.0000641100000000, -0.0000101200000000, 0.0004192600000000 ] - [ -0.0007234400000000, 0.0018112400000000, -0.0000606100000000 ] - [ -0.0000519700000000, 0.0000248500000000, -0.0003077900000000 ] - [ -0.0003474500000000, 0.0003186300000000, 0.0013639600000000 ] - [ 0.0001067300000000, 0.0003070900000000, 0.0002730200000000 ] - [ 0.0003474500000000, 0.0003186300000000, -0.0013639600000000 ] - [ -0.0001067300000000, 0.0003070900000000, -0.0002730200000000 ] - [ 0.0007234400000000, 0.0018112400000000, 0.0000606100000000 ] - [ 0.0000519700000000, 0.0000248500000000, 0.0003077900000000 ] - [ 0.0003244000000000, -0.0001561500000000, -0.0003296500000000 ] - [ -0.0000883900000000, 0.0001767600000000, 0.0002067900000000 ] - [ -0.0000774900000000, -0.0009292600000000, -0.0004344700000000 ] - [ 0.0000169600000000, -0.0003853800000000, -0.0002739200000000 ] - [ 0.0000774900000000, -0.0009292600000000, 0.0004344700000000 ] - [ -0.0000169600000000, -0.0003853800000000, 0.0002739200000000 ] - [ -0.0003244000000000, -0.0001561500000000, 0.0003296500000000 ] - [ 0.0000883900000000, 0.0001767600000000, -0.0002067900000000 ] - [ -0.0002025000000000, 0.0012020600000000, 0.0000233700000000 ] - [ 0.0000386900000000, -0.0001023900000000, 0.0000958000000000 ] - [ -0.0007233900000000, -0.0000106300000000, 0.0002081700000000 ] - [ 0.0004807600000000, 0.0001952900000000, -0.0000371600000000 ] - [ 0.0007233900000000, -0.0000106300000000, -0.0002081700000000 ] - [ -0.0004807600000000, 0.0001952900000000, 0.0000371600000000 ] - [ 0.0002025000000000, 0.0012020600000000, -0.0000233700000000 ] - [ -0.0000386900000000, -0.0001023900000000, -0.0000958000000000 ] - [ 0.0004163700000000, -0.0009150100000000, -0.0015011300000000 ] - [ -0.0000633700000000, 0.0002294300000000, -0.0001269200000000 ] - [ -0.0000413500000000, -0.0004526600000000, 0.0000963000000000 ] - [ -0.0000666300000000, -0.0004603500000000, 0.0001062300000000 ] - [ 0.0000413500000000, -0.0004526600000000, -0.0000963000000000 ] - [ 0.0000666300000000, -0.0004603500000000, -0.0001062300000000 ] - [ -0.0006199000000000, -0.0005813100000000, -0.0000310400000000 ] - [ -0.0005382800000000, -0.0001883700000000, -0.0000043700000000 ] - [ -0.0000210900000000, -0.0014845200000000, -0.0002220900000000 ] - [ -0.0001615400000000, -0.0003222400000000, 0.0000844300000000 ] - [ -0.0015148900000000, 0.0011393400000000, -0.0013014300000000 ] - [ 0.0001723200000000, 0.0001389000000000, -0.0000816500000000 ] - [ 0.0015148900000000, 0.0011393400000000, 0.0013014300000000 ] - [ -0.0001723200000000, 0.0001389000000000, 0.0000816500000000 ] - [ 0.0000210900000000, -0.0014845200000000, 0.0002220900000000 ] - [ 0.0001615400000000, -0.0003222400000000, -0.0000844300000000 ] - [ 0.0012458300000000, 0.0012314800000000, 0.0010590300000000 ] - [ -0.0001394300000000, 0.0002021200000000, -0.0000042900000000 ] - [ 0.0001330600000000, 0.0006163400000000, 0.0001272200000000 ] - [ 0.0001213500000000, 0.0000254300000000, 0.0000788300000000 ] - [ -0.0001330600000000, 0.0006163400000000, -0.0001272200000000 ] - [ -0.0001213500000000, 0.0000254300000000, -0.0000788300000000 ] - [ -0.0012458300000000, 0.0012314800000000, -0.0010590300000000 ] - [ 0.0001394300000000, 0.0002021200000000, 0.0000042900000000 ] - [ -0.0006765900000000, -0.0037479400000000, -0.0013099700000000 ] - [ -0.0005574700000000, -0.0008765300000000, -0.0001109900000000 ] - [ 0.0006765900000000, -0.0037479400000000, 0.0013099700000000 ] - [ 0.0005574700000000, -0.0008765300000000, 0.0001109900000000 ] - [ -0.0042271600000000, 0.0039598000000000, 0.0033809200000000 ] - [ 0.0012561600000000, 0.0001127400000000, -0.0001106800000000 ] - [ 0.0007108300000000, 0.0016334800000000, -0.0000400800000000 ] - [ 0.0006597300000000, 0.0004453500000000, -0.0001077700000000 ] - [ -0.0007108300000000, 0.0016334800000000, 0.0000400800000000 ] - [ -0.0006597300000000, 0.0004453500000000, 0.0001077700000000 ] - [ -0.0030142000000000, 0.0040656800000000, 0.0043232300000000 ] - [ 0.0012053100000000, 0.0002930200000000, 0.0003300100000000 ] - [ 0.0030142000000000, 0.0040656800000000, -0.0043232300000000 ] - [ -0.0012053100000000, 0.0002930200000000, -0.0003300100000000 ] - [ 0.0042271600000000, 0.0039598000000000, -0.0033809200000000 ] - [ -0.0012561600000000, 0.0001127400000000, 0.0001106800000000 ] - [ 0.0000000000000000, -0.0123879000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001316100000000, 0.0000000000000000 ] - [ -0.0002740000000000, 0.0000530500000000, 0.0001334900000000 ] - [ 0.0002740000000000, 0.0000530500000000, -0.0001334900000000 ] - [ 0.0000000000000000, 0.0000049000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000341000000000, 0.0000000000000000 ] - [ 0.0007232700000000, -0.0013875100000000, 0.0000644100000000 ] - [ -0.0007232700000000, -0.0013875100000000, -0.0000644100000000 ] - [ 0.0000000000000000, 0.0003958200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000411600000000, 0.0000000000000000 ] - [ 0.0002297100000000, -0.0001648700000000, -0.0001183600000000 ] - [ -0.0002297100000000, -0.0001648700000000, 0.0001183600000000 ] - [ 0.0000000000000000, 0.0018089700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002198600000000, 0.0000000000000000 ] - [ -0.0000089200000000, 0.0007318100000000, 0.0000298600000000 ] - [ 0.0000089200000000, 0.0007318100000000, -0.0000298600000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001764800000000, 0.0010428300000000, -0.0001681000000000 ] - [ -0.0000216400000000, -0.0003704600000000, -0.0000904500000000 ] - [ -0.0000750900000000, 0.0008451300000000, -0.0000002900000000 ] - [ -0.0000564200000000, 0.0006662100000000, 0.0001945200000000 ] - [ 0.0000750900000000, 0.0008451300000000, 0.0000002900000000 ] - [ 0.0000564200000000, 0.0006662100000000, -0.0001945200000000 ] - [ -0.0001764800000000, 0.0010428300000000, 0.0001681000000000 ] - [ 0.0000216400000000, -0.0003704600000000, 0.0000904500000000 ] - [ 0.0001517900000000, 0.0000240400000000, 0.0004389500000000 ] - [ -0.0000819800000000, 0.0003809800000000, 0.0000565700000000 ] - [ 0.0001888500000000, -0.0018921600000000, -0.0001955100000000 ] - [ 0.0000812200000000, -0.0009811400000000, -0.0002959600000000 ] - [ -0.0001888500000000, -0.0018921600000000, 0.0001955100000000 ] - [ -0.0000812200000000, -0.0009811400000000, 0.0002959600000000 ] - [ -0.0001517900000000, 0.0000240400000000, -0.0004389500000000 ] - [ 0.0000819800000000, 0.0003809800000000, -0.0000565700000000 ] - [ 0.0009651100000000, -0.0006449900000000, -0.0009517700000000 ] - [ -0.0000710100000000, 0.0000041200000000, 0.0001650600000000 ] - [ 0.0002512900000000, 0.0008510500000000, 0.0001660800000000 ] - [ 0.0000051000000000, 0.0002033400000000, -0.0000949500000000 ] - [ -0.0002512900000000, 0.0008510500000000, -0.0001660800000000 ] - [ -0.0000051000000000, 0.0002033400000000, 0.0000949500000000 ] - [ -0.0009651100000000, -0.0006449900000000, 0.0009517700000000 ] - [ 0.0000710100000000, 0.0000041200000000, -0.0001650600000000 ] - [ -0.0004181000000000, -0.0011018700000000, -0.0008902800000000 ] - [ 0.0000818300000000, -0.0004407500000000, -0.0002241600000000 ] - [ -0.0002963300000000, 0.0012353800000000, 0.0006251400000000 ] - [ 0.0000158700000000, 0.0001614300000000, 0.0001698000000000 ] - [ 0.0002963300000000, 0.0012353800000000, -0.0006251400000000 ] - [ -0.0000158700000000, 0.0001614300000000, -0.0001698000000000 ] - [ 0.0004181000000000, -0.0011018700000000, 0.0008902800000000 ] - [ -0.0000818300000000, -0.0004407500000000, 0.0002241600000000 ] - [ 0.0015399700000000, 0.0004956300000000, -0.0002068500000000 ] - [ -0.0001209700000000, 0.0001785100000000, -0.0001697100000000 ] - [ 0.0005217400000000, 0.0013764600000000, -0.0012758200000000 ] - [ 0.0001574200000000, 0.0001894500000000, 0.0001962300000000 ] - [ 0.0004424000000000, 0.0003899400000000, -0.0000357000000000 ] - [ 0.0003945300000000, 0.0002127400000000, 0.0001488900000000 ] - [ -0.0015399700000000, 0.0004956300000000, 0.0002068500000000 ] - [ 0.0001209700000000, 0.0001785100000000, 0.0001697100000000 ] - [ -0.0003288200000000, -0.0004478800000000, 0.0001461800000000 ] - [ -0.0006160400000000, -0.0003895400000000, 0.0000479200000000 ] - [ -0.0020524500000000, 0.0012583600000000, 0.0012357000000000 ] - [ -0.0003810100000000, -0.0000027400000000, -0.0000974000000000 ] - [ 0.0020524500000000, 0.0012583600000000, -0.0012357000000000 ] - [ 0.0003810100000000, -0.0000027400000000, 0.0000974000000000 ] - [ 0.0003288200000000, -0.0004478800000000, -0.0001461800000000 ] - [ 0.0006160400000000, -0.0003895400000000, -0.0000479200000000 ] - [ -0.0007174400000000, 0.0009677800000000, 0.0003321200000000 ] - [ 0.0002469200000000, -0.0000361800000000, 0.0004187900000000 ] - [ 0.0000547800000000, -0.0002901500000000, -0.0004231700000000 ] - [ -0.0000386000000000, -0.0002189600000000, -0.0003287600000000 ] - [ -0.0000547800000000, -0.0002901500000000, 0.0004231700000000 ] - [ 0.0000386000000000, -0.0002189600000000, 0.0003287600000000 ] - [ 0.0007174400000000, 0.0009677800000000, -0.0003321200000000 ] - [ -0.0002469200000000, -0.0000361800000000, -0.0004187900000000 ] - [ -0.0000408500000000, 0.0004936600000000, -0.0005112300000000 ] - [ -0.0001225200000000, 0.0002921900000000, -0.0003855500000000 ] - [ 0.0008369600000000, -0.0000488700000000, -0.0010571400000000 ] - [ -0.0001181700000000, 0.0001155400000000, 0.0002232000000000 ] - [ -0.0008369600000000, -0.0000488700000000, 0.0010571400000000 ] - [ 0.0001181700000000, 0.0001155400000000, -0.0002232000000000 ] - [ 0.0000408500000000, 0.0004936600000000, 0.0005112300000000 ] - [ 0.0001225200000000, 0.0002921900000000, 0.0003855500000000 ] - [ 0.0007211800000000, -0.0022336500000000, -0.0005343600000000 ] - [ 0.0002200600000000, -0.0005549700000000, 0.0000762700000000 ] - [ 0.0003609800000000, 0.0001662800000000, -0.0007551200000000 ] - [ -0.0000638500000000, 0.0001238100000000, 0.0002871200000000 ] - [ -0.0003609800000000, 0.0001662800000000, 0.0007551200000000 ] - [ 0.0000638500000000, 0.0001238100000000, -0.0002871200000000 ] - [ -0.0007211800000000, -0.0022336500000000, 0.0005343600000000 ] - [ -0.0002200600000000, -0.0005549700000000, -0.0000762700000000 ] - [ -0.0003395100000000, 0.0006183700000000, 0.0009139500000000 ] - [ -0.0000323900000000, 0.0002510700000000, 0.0002592100000000 ] - [ 0.0000548000000000, 0.0004738700000000, -0.0001032100000000 ] - [ -0.0000562600000000, -0.0000455500000000, -0.0002161600000000 ] - [ -0.0000548000000000, 0.0004738700000000, 0.0001032100000000 ] - [ 0.0000562600000000, -0.0000455500000000, 0.0002161600000000 ] - [ 0.0003395100000000, 0.0006183700000000, -0.0009139500000000 ] - [ 0.0000323900000000, 0.0002510700000000, -0.0002592100000000 ] - [ 0.0002702700000000, -0.0016166900000000, 0.0001812200000000 ] - [ 0.0002079000000000, -0.0004395600000000, 0.0003289700000000 ] - [ 0.0007959700000000, 0.0004702900000000, -0.0004149900000000 ] - [ -0.0003784500000000, 0.0002848100000000, -0.0001899400000000 ] - [ -0.0007959700000000, 0.0004702900000000, 0.0004149900000000 ] - [ 0.0003784500000000, 0.0002848100000000, 0.0001899400000000 ] - [ -0.0002702700000000, -0.0016166900000000, -0.0001812200000000 ] - [ -0.0002079000000000, -0.0004395600000000, -0.0003289700000000 ] - [ -0.0005217400000000, 0.0013764600000000, 0.0012758200000000 ] - [ -0.0001574200000000, 0.0001894500000000, -0.0001962300000000 ] - [ -0.0000402600000000, 0.0000286200000000, 0.0001034900000000 ] - [ -0.0000534300000000, 0.0000271400000000, 0.0001148700000000 ] - [ 0.0000402600000000, 0.0000286200000000, -0.0001034900000000 ] - [ 0.0000534300000000, 0.0000271400000000, -0.0001148700000000 ] - [ -0.0004424000000000, 0.0003899400000000, 0.0000357000000000 ] - [ -0.0003945300000000, 0.0002127400000000, -0.0001488900000000 ] - [ -0.0002286500000000, 0.0012100100000000, 0.0003751800000000 ] - [ -0.0000674500000000, 0.0000255200000000, 0.0000049700000000 ] - [ 0.0012601500000000, -0.0008287200000000, 0.0011545400000000 ] - [ -0.0004451400000000, 0.0002065600000000, -0.0000833400000000 ] - [ -0.0012601500000000, -0.0008287200000000, -0.0011545400000000 ] - [ 0.0004451400000000, 0.0002065600000000, 0.0000833400000000 ] - [ 0.0002286500000000, 0.0012100100000000, -0.0003751800000000 ] - [ 0.0000674500000000, 0.0000255200000000, -0.0000049700000000 ] - [ -0.0010120200000000, -0.0009261100000000, -0.0012025500000000 ] - [ 0.0004217700000000, 0.0000773100000000, -0.0002402400000000 ] - [ 0.0001186600000000, -0.0008818600000000, 0.0000124600000000 ] - [ 0.0001074600000000, -0.0002322800000000, 0.0000516200000000 ] - [ -0.0001186600000000, -0.0008818600000000, -0.0000124600000000 ] - [ -0.0001074600000000, -0.0002322800000000, -0.0000516200000000 ] - [ 0.0010120200000000, -0.0009261100000000, 0.0012025500000000 ] - [ -0.0004217700000000, 0.0000773100000000, 0.0002402400000000 ] - [ -0.0006460900000000, 0.0033610200000000, 0.0010266400000000 ] - [ -0.0008879800000000, 0.0005468400000000, -0.0003328300000000 ] - [ 0.0006460900000000, 0.0033610200000000, -0.0010266400000000 ] - [ 0.0008879800000000, 0.0005468400000000, 0.0003328300000000 ] - [ 0.0055575400000000, -0.0035884300000000, -0.0036860800000000 ] - [ 0.0000798700000000, 0.0003720900000000, -0.0001373500000000 ] - [ 0.0006432900000000, -0.0019499700000000, -0.0002870500000000 ] - [ 0.0006326500000000, -0.0007747000000000, -0.0001293500000000 ] - [ -0.0006432900000000, -0.0019499700000000, 0.0002870500000000 ] - [ -0.0006326500000000, -0.0007747000000000, 0.0001293500000000 ] - [ 0.0043875300000000, -0.0037035500000000, -0.0040707800000000 ] - [ 0.0001942200000000, -0.0000076500000000, -0.0000289500000000 ] - [ -0.0043875300000000, -0.0037035500000000, 0.0040707800000000 ] - [ -0.0001942200000000, -0.0000076500000000, 0.0000289500000000 ] - [ -0.0055575400000000, -0.0035884300000000, 0.0036860800000000 ] - [ -0.0000798700000000, 0.0003720900000000, 0.0001373500000000 ] - [ 0.0000000000000000, 0.0104323200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004119700000000, 0.0000000000000000 ] - [ 0.0002713200000000, -0.0001664300000000, -0.0001454600000000 ] - [ -0.0002713200000000, -0.0001664300000000, 0.0001454600000000 ] - [ 0.0000000000000000, -0.0001575900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005526100000000, 0.0000000000000000 ] - [ -0.0006729600000000, 0.0012834500000000, -0.0000724700000000 ] - [ 0.0006729600000000, 0.0012834500000000, 0.0000724700000000 ] - [ 0.0000000000000000, -0.0004629800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0000000000000000 ] - [ -0.0004879400000000, 0.0000735700000000, 0.0001386100000000 ] - [ 0.0004879400000000, 0.0000735700000000, -0.0001386100000000 ] - [ 0.0000000000000000, -0.0017231300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001972600000000, 0.0000000000000000 ] - [ 0.0000046100000000, -0.0005978600000000, -0.0000129900000000 ] - [ -0.0000046100000000, -0.0005978600000000, 0.0000129900000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001346500000000, -0.0001472000000000, 0.0001186600000000 ] - [ 0.0000030600000000, -0.0003986000000000, -0.0000481000000000 ] - [ -0.0000088900000000, 0.0006655300000000, -0.0000357300000000 ] - [ 0.0000411400000000, 0.0004220500000000, 0.0000564100000000 ] - [ -0.0000569000000000, 0.0002484800000000, -0.0002582800000000 ] - [ -0.0000078400000000, 0.0004908900000000, -0.0001657900000000 ] - [ 0.0000853300000000, -0.0007655800000000, 0.0003383600000000 ] - [ -0.0000457900000000, -0.0005117500000000, 0.0001734700000000 ] - [ -0.0004915700000000, -0.0008040500000000, -0.0010933200000000 ] - [ 0.0000176700000000, 0.0004196600000000, 0.0000368100000000 ] - [ -0.0003540600000000, -0.0009371200000000, 0.0012920900000000 ] - [ -0.0001904900000000, -0.0005014900000000, 0.0000250900000000 ] - [ -0.0002573700000000, 0.0000610100000000, 0.0014822200000000 ] - [ -0.0001403000000000, -0.0004091700000000, 0.0002448500000000 ] - [ -0.0004353600000000, 0.0017071400000000, -0.0013130400000000 ] - [ 0.0000667900000000, 0.0004904400000000, -0.0001857100000000 ] - [ 0.0011314500000000, 0.0013594300000000, -0.0001000100000000 ] - [ -0.0001266300000000, 0.0000960300000000, 0.0002140200000000 ] - [ -0.0000575100000000, -0.0003111400000000, -0.0002180300000000 ] - [ 0.0000831400000000, 0.0000142600000000, -0.0001238600000000 ] - [ -0.0001320400000000, 0.0003986500000000, -0.0000050000000000 ] - [ 0.0000076200000000, 0.0000752400000000, 0.0000901900000000 ] - [ 0.0010521800000000, -0.0014377400000000, -0.0003237700000000 ] - [ -0.0002002500000000, -0.0001840200000000, -0.0000020200000000 ] - [ -0.0012810600000000, 0.0011190700000000, -0.0008852200000000 ] - [ 0.0000535300000000, 0.0000597500000000, -0.0001358600000000 ] - [ 0.0000994700000000, -0.0006516500000000, -0.0000191100000000 ] - [ -0.0000955100000000, -0.0001112900000000, 0.0001345500000000 ] - [ 0.0001750100000000, 0.0005624800000000, -0.0002354200000000 ] - [ -0.0000197500000000, 0.0000221000000000, -0.0000802100000000 ] - [ -0.0011961000000000, -0.0010221600000000, -0.0006721100000000 ] - [ 0.0001274000000000, 0.0000301800000000, 0.0000772600000000 ] - [ 0.0008903600000000, 0.0002914800000000, 0.0002327900000000 ] - [ 0.0003774900000000, 0.0002145700000000, 0.0001603000000000 ] - [ 0.0006657400000000, 0.0015233300000000, -0.0000694800000000 ] - [ -0.0000112600000000, 0.0002392400000000, 0.0001317300000000 ] - [ 0.0005247100000000, -0.0000719000000000, -0.0001327400000000 ] - [ 0.0005473500000000, -0.0001033800000000, -0.0000187900000000 ] - [ -0.0001963300000000, -0.0000897200000000, 0.0002182800000000 ] - [ -0.0007125700000000, -0.0000122600000000, 0.0001472400000000 ] - [ -0.0014775100000000, -0.0001706100000000, -0.0006410500000000 ] - [ -0.0001884500000000, -0.0000694100000000, -0.0002863000000000 ] - [ 0.0001583200000000, -0.0013001900000000, 0.0005627400000000 ] - [ -0.0005852100000000, 0.0000787700000000, 0.0000655100000000 ] - [ 0.0012501000000000, 0.0015220000000000, 0.0005317100000000 ] - [ 0.0005036500000000, 0.0001233100000000, 0.0000532300000000 ] - [ -0.0003822200000000, -0.0000324600000000, -0.0006300600000000 ] - [ 0.0008974500000000, -0.0001327900000000, -0.0002760000000000 ] - [ 0.0002822800000000, -0.0005649900000000, 0.0016000800000000 ] - [ 0.0001029600000000, -0.0001741400000000, 0.0006764700000000 ] - [ -0.0000922400000000, 0.0005432100000000, -0.0026964900000000 ] - [ 0.0000685300000000, 0.0001503400000000, -0.0006543900000000 ] - [ -0.0002606600000000, -0.0003145700000000, -0.0017919600000000 ] - [ -0.0001067300000000, 0.0000762800000000, 0.0002471200000000 ] - [ 0.0001080500000000, 0.0003413200000000, 0.0006975300000000 ] - [ -0.0000717900000000, -0.0000519800000000, -0.0002272600000000 ] - [ -0.0001073700000000, 0.0001491700000000, -0.0007055500000000 ] - [ -0.0000926400000000, 0.0001360000000000, -0.0005335100000000 ] - [ 0.0000191500000000, -0.0001414100000000, 0.0020813300000000 ] - [ -0.0001163700000000, -0.0001099000000000, 0.0005958200000000 ] - [ 0.0002056300000000, -0.0001020100000000, 0.0011638300000000 ] - [ 0.0000582200000000, -0.0001166800000000, -0.0003072800000000 ] - [ 0.0000690700000000, 0.0000769200000000, 0.0001975900000000 ] - [ 0.0000825500000000, 0.0000904500000000, 0.0003696600000000 ] - [ 0.0003258000000000, -0.0007730000000000, 0.0009285200000000 ] - [ 0.0001131600000000, -0.0003120200000000, -0.0002117200000000 ] - [ 0.0004016700000000, 0.0007922900000000, -0.0006659800000000 ] - [ -0.0000827000000000, 0.0003110000000000, 0.0002455900000000 ] - [ 0.0003740900000000, -0.0002998300000000, -0.0012518500000000 ] - [ -0.0001156100000000, 0.0001873700000000, -0.0003457500000000 ] - [ 0.0003643500000000, 0.0003017800000000, 0.0015900000000000 ] - [ 0.0000799000000000, -0.0001859100000000, 0.0003824300000000 ] - [ 0.0002006900000000, -0.0000909400000000, -0.0002173500000000 ] - [ -0.0000673400000000, 0.0002074100000000, 0.0002662800000000 ] - [ -0.0000806500000000, -0.0003359600000000, -0.0001385600000000 ] - [ 0.0000212700000000, -0.0002539300000000, -0.0002606200000000 ] - [ -0.0000476700000000, -0.0001632600000000, 0.0004559100000000 ] - [ 0.0000542900000000, -0.0002450000000000, 0.0003319800000000 ] - [ 0.0002359100000000, 0.0005914100000000, -0.0008070100000000 ] - [ -0.0000335700000000, 0.0002915700000000, -0.0003240100000000 ] - [ -0.0017838800000000, -0.0002010500000000, -0.0002234500000000 ] - [ 0.0000087600000000, -0.0002253700000000, 0.0000992700000000 ] - [ 0.0006322400000000, 0.0005712700000000, -0.0002537200000000 ] - [ -0.0003334900000000, 0.0004173800000000, -0.0000274700000000 ] - [ 0.0005582300000000, -0.0001314600000000, -0.0000333800000000 ] - [ -0.0004089600000000, 0.0000211600000000, 0.0001921500000000 ] - [ -0.0018579800000000, -0.0002354700000000, -0.0002671200000000 ] - [ -0.0000636700000000, -0.0002133000000000, -0.0001182500000000 ] - [ 0.0005894100000000, -0.0010786000000000, -0.0002970400000000 ] - [ -0.0000834100000000, 0.0001999300000000, -0.0000878600000000 ] - [ -0.0001387100000000, -0.0002150800000000, 0.0001305400000000 ] - [ 0.0000963300000000, -0.0002008700000000, 0.0000703600000000 ] - [ -0.0000660800000000, -0.0002234600000000, -0.0000879200000000 ] - [ 0.0001700600000000, -0.0002379000000000, -0.0001483700000000 ] - [ -0.0005638400000000, -0.0001291800000000, -0.0001220300000000 ] - [ -0.0005411800000000, -0.0000975100000000, -0.0000073500000000 ] - [ -0.0020088000000000, -0.0002446100000000, 0.0025296700000000 ] - [ 0.0001980000000000, -0.0001239800000000, 0.0001324800000000 ] - [ 0.0007134800000000, -0.0013593200000000, -0.0002967500000000 ] - [ -0.0002951600000000, 0.0001263000000000, -0.0001107000000000 ] - [ 0.0009498700000000, 0.0016522100000000, -0.0001653300000000 ] - [ -0.0000577600000000, 0.0001660500000000, 0.0000286900000000 ] - [ -0.0017890300000000, -0.0000432000000000, 0.0023953800000000 ] - [ 0.0004372700000000, -0.0001672100000000, -0.0000095600000000 ] - [ 0.0006451100000000, 0.0011309400000000, -0.0003992400000000 ] - [ 0.0000234600000000, 0.0001428900000000, -0.0000894300000000 ] - [ 0.0000513000000000, -0.0001253500000000, 0.0002713900000000 ] - [ 0.0001528000000000, -0.0001400400000000, 0.0001151700000000 ] - [ -0.0001861400000000, -0.0001665500000000, 0.0001297000000000 ] - [ -0.0000834100000000, -0.0001515100000000, -0.0000253100000000 ] - [ 0.0004042200000000, -0.0008383600000000, -0.0002688400000000 ] - [ -0.0002140100000000, 0.0001486200000000, 0.0000506500000000 ] - [ 0.0058802900000000, -0.0005395700000000, 0.0078635100000000 ] - [ -0.0010330500000000, -0.0001139400000000, 0.0001690100000000 ] - [ 0.0073367600000000, 0.0001924400000000, 0.0081926800000000 ] - [ 0.0003561700000000, -0.0002470200000000, 0.0004633500000000 ] - [ -0.0020370700000000, 0.0044859800000000, 0.0001475900000000 ] - [ 0.0011479000000000, 0.0004428100000000, -0.0004126700000000 ] - [ 0.0009111900000000, -0.0001709300000000, 0.0001607400000000 ] - [ 0.0005473100000000, -0.0002156300000000, 0.0000256400000000 ] - [ -0.0004755900000000, -0.0001900400000000, 0.0004593300000000 ] - [ -0.0008449600000000, -0.0001460300000000, 0.0003252400000000 ] - [ -0.0012608900000000, 0.0031012400000000, -0.0006906400000000 ] - [ 0.0009809300000000, 0.0003992400000000, -0.0000219400000000 ] - [ -0.0026438900000000, -0.0027379100000000, -0.0010309600000000 ] - [ -0.0004114600000000, -0.0000373300000000, -0.0003239700000000 ] - [ -0.0034214300000000, -0.0041302600000000, 0.0004731800000000 ] - [ -0.0002443700000000, -0.0000813000000000, -0.0001088900000000 ] - [ -0.0024969200000000, -0.0000637400000000, -0.0185120400000000 ] - [ 0.0000445200000000, 0.0000466500000000, -0.0001124500000000 ] - [ 0.0000439400000000, -0.0001789200000000, 0.0005290200000000 ] - [ 0.0000453900000000, 0.0000865000000000, 0.0005299200000000 ] - [ -0.0001083000000000, -0.0000486700000000, 0.0012004100000000 ] - [ 0.0000388300000000, -0.0000463800000000, 0.0000997500000000 ] - [ 0.0000937400000000, 0.0001433800000000, -0.0014239500000000 ] - [ 0.0000738400000000, -0.0000516800000000, -0.0014252900000000 ] - [ -0.0000761500000000, -0.0000430900000000, 0.0009141300000000 ] - [ 0.0000238900000000, -0.0000448700000000, 0.0001108800000000 ] - [ 0.0000960200000000, 0.0001393800000000, 0.0005790100000000 ] - [ 0.0000983400000000, -0.0002308400000000, 0.0005798200000000 ] - [ 0.0001716200000000, 0.0000441500000000, -0.0005384000000000 ] - [ -0.0000045100000000, 0.0000452100000000, -0.0000610900000000 ] - [ -0.0000605200000000, 0.0000747000000000, -0.0001950600000000 ] - [ -0.0000615200000000, 0.0000186900000000, -0.0001955800000000 ]- atom: 135 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002621400000000, 0.0004246300000000, -0.0002475400000000 ] - [ -0.0002554600000000, -0.0006084000000000, -0.0000828200000000 ] - [ -0.0002422200000000, 0.0005119100000000, 0.0000736500000000 ] - [ 0.0002894400000000, 0.0002553800000000, 0.0001472600000000 ] - [ 0.0002527000000000, 0.0006417400000000, -0.0000579700000000 ] - [ -0.0002815100000000, 0.0003870000000000, -0.0001309700000000 ] - [ -0.0002914100000000, -0.0002575700000000, 0.0001248300000000 ] - [ 0.0002191300000000, -0.0012906300000000, -0.0000419200000000 ] - [ -0.0003206700000000, 0.0002729500000000, -0.0000240000000000 ] - [ 0.0001250100000000, 0.0011195800000000, 0.0007626400000000 ] - [ 0.0015432500000000, -0.0009951900000000, 0.0000628900000000 ] - [ -0.0005854500000000, -0.0001802100000000, 0.0000808100000000 ] - [ -0.0005591500000000, -0.0007045100000000, 0.0002971900000000 ] - [ 0.0015348700000000, 0.0001679200000000, 0.0002414600000000 ] - [ 0.0001653300000000, -0.0002204100000000, 0.0005571400000000 ] - [ -0.0002817500000000, 0.0006247500000000, -0.0002282100000000 ] - [ 0.0011190200000000, 0.0007567600000000, -0.0001723900000000 ] - [ -0.0004043200000000, -0.0000841700000000, 0.0001927000000000 ] - [ -0.0001717400000000, -0.0000188100000000, -0.0001501700000000 ] - [ 0.0002204700000000, 0.0002207200000000, -0.0000118400000000 ] - [ 0.0001513800000000, -0.0000890800000000, 0.0001872300000000 ] - [ -0.0002426800000000, 0.0001521000000000, 0.0000494500000000 ] - [ -0.0004696400000000, -0.0000178000000000, -0.0000065300000000 ] - [ 0.0010239200000000, -0.0008690500000000, -0.0004070500000000 ] - [ -0.0004678700000000, 0.0001872300000000, -0.0001808800000000 ] - [ 0.0004432000000000, -0.0002310700000000, 0.0014647000000000 ] - [ 0.0001086700000000, -0.0002842300000000, -0.0000254300000000 ] - [ -0.0002350500000000, 0.0000726100000000, 0.0001700100000000 ] - [ -0.0001652200000000, -0.0001765700000000, -0.0000273500000000 ] - [ 0.0001767400000000, 0.0001789100000000, -0.0002234000000000 ] - [ 0.0005244300000000, 0.0003723400000000, 0.0016527300000000 ] - [ -0.0004012600000000, -0.0000518800000000, 0.0000166000000000 ] - [ 0.0030368300000000, 0.0006245800000000, 0.0000187000000000 ] - [ -0.0000719000000000, 0.0000475100000000, -0.0000273400000000 ] - [ -0.0007737400000000, 0.0006591600000000, -0.0004855600000000 ] - [ -0.0006165300000000, -0.0000763400000000, 0.0003042700000000 ] - [ 0.0003528200000000, -0.0000148600000000, -0.0000436700000000 ] - [ 0.0005928000000000, -0.0001492400000000, 0.0000081000000000 ] - [ -0.0011805500000000, 0.0001758000000000, -0.0000408500000000 ] - [ 0.0019118700000000, -0.0004124200000000, -0.0000052200000000 ] - [ -0.0011906600000000, -0.0001364500000000, -0.0001009900000000 ] - [ 0.0012954300000000, 0.0000498400000000, 0.0005036900000000 ] - [ -0.0010216800000000, -0.0004544900000000, -0.0001535000000000 ] - [ -0.0011090500000000, 0.0005124400000000, 0.0001991800000000 ] - [ -0.0000045600000000, -0.0002944300000000, 0.0001875700000000 ] - [ 0.0000798100000000, 0.0006717400000000, -0.0001646200000000 ] - [ 0.0024076900000000, -0.0002379500000000, 0.0005189700000000 ] - [ -0.0000807100000000, -0.0000551500000000, -0.0000826800000000 ] - [ 0.0003998400000000, -0.0008669600000000, 0.0006907900000000 ] - [ -0.0002197500000000, 0.0000404700000000, 0.0004233200000000 ] - [ -0.0002526400000000, 0.0001567100000000, -0.0005277400000000 ] - [ 0.0003465000000000, 0.0001238000000000, -0.0001551100000000 ] - [ 0.0001576900000000, 0.0001288000000000, 0.0007874000000000 ] - [ -0.0004440500000000, 0.0000948500000000, 0.0004146400000000 ] - [ -0.0004099400000000, -0.0002591400000000, -0.0005200400000000 ] - [ 0.0002067100000000, 0.0006455200000000, -0.0002546000000000 ] - [ -0.0002954100000000, 0.0001467500000000, -0.0005115200000000 ] - [ 0.0000972600000000, 0.0000902500000000, -0.0004994500000000 ] - [ 0.0020687900000000, -0.0000920700000000, -0.0007549400000000 ] - [ -0.0006967800000000, -0.0003801400000000, 0.0006596400000000 ] - [ -0.0005097600000000, 0.0001740700000000, -0.0002764600000000 ] - [ 0.0021555300000000, -0.0002039500000000, -0.0016982500000000 ] - [ 0.0002894100000000, 0.0001584500000000, 0.0004429500000000 ] - [ -0.0001044600000000, 0.0001044200000000, 0.0004330600000000 ] - [ 0.0027900200000000, 0.0019586600000000, -0.0008997600000000 ] - [ -0.0005948100000000, -0.0001719700000000, -0.0005563900000000 ] - [ -0.0002705800000000, 0.0001585600000000, 0.0004411400000000 ] - [ 0.0001649700000000, 0.0006379200000000, -0.0003932700000000 ] - [ 0.0001273600000000, -0.0001096300000000, -0.0010139500000000 ] - [ -0.0003097000000000, 0.0003703900000000, -0.0001826900000000 ] - [ -0.0006493400000000, -0.0003280600000000, 0.0000452500000000 ] - [ 0.0026744200000000, -0.0023787200000000, -0.0002132700000000 ] - [ -0.0003334900000000, 0.0003522500000000, 0.0004373200000000 ] - [ 0.0002986400000000, -0.0002154300000000, -0.0002825800000000 ] - [ 0.0002341900000000, -0.0000238400000000, -0.0001263100000000 ] - [ -0.0002862600000000, -0.0003403600000000, -0.0003644600000000 ] - [ -0.0002456400000000, -0.0001571300000000, 0.0002545600000000 ] - [ 0.0002715900000000, -0.0004768100000000, 0.0004986600000000 ] - [ 0.0003436600000000, 0.0007432900000000, -0.0009032400000000 ] - [ -0.0002928300000000, 0.0001775600000000, -0.0001873700000000 ] - [ -0.0006677500000000, -0.0002279700000000, 0.0007271700000000 ] - [ -0.0007699200000000, -0.0000975100000000, -0.0003523900000000 ] - [ -0.0005384100000000, 0.0001653200000000, -0.0000309400000000 ] - [ 0.0013696500000000, 0.0005104700000000, -0.0003884200000000 ] - [ 0.0013393900000000, -0.0000704700000000, -0.0001718700000000 ] - [ -0.0005691200000000, 0.0002750500000000, 0.0001843000000000 ] - [ -0.0008095700000000, -0.0003132200000000, -0.0005875000000000 ] - [ -0.0007069900000000, -0.0001825300000000, 0.0004912500000000 ] - [ -0.0006427900000000, 0.0005165300000000, 0.0000858500000000 ] - [ -0.0008077900000000, -0.0002182500000000, -0.0007041400000000 ] - [ 0.0005686800000000, -0.0001936700000000, 0.0000392400000000 ] - [ -0.0004371800000000, -0.0002271700000000, 0.0001496300000000 ] - [ -0.0004035400000000, -0.0001837600000000, -0.0000693100000000 ] - [ 0.0005993500000000, -0.0002192700000000, -0.0001773300000000 ] - [ -0.0005130600000000, -0.0000428600000000, 0.0000235200000000 ] - [ -0.0007580200000000, -0.0001771900000000, -0.0000277400000000 ] - [ 0.0004851100000000, -0.0000813700000000, -0.0001070600000000 ] - [ -0.0003963900000000, -0.0005432900000000, 0.0014067600000000 ] - [ -0.0004913300000000, 0.0011868800000000, -0.0004788800000000 ] - [ 0.0003601600000000, -0.0000221800000000, 0.0000310500000000 ] - [ 0.0006107500000000, 0.0003420700000000, 0.0001766400000000 ] - [ -0.0002389100000000, -0.0008659100000000, -0.0003326500000000 ] - [ -0.0001645300000000, 0.0002670300000000, 0.0012854800000000 ] - [ 0.0007224600000000, -0.0001932400000000, -0.0002311900000000 ] - [ -0.0001303900000000, -0.0015194100000000, -0.0012366700000000 ] - [ 0.0007407600000000, 0.0003253700000000, -0.0000170900000000 ] - [ 0.0003694500000000, -0.0001784700000000, 0.0000404800000000 ] - [ -0.0001365800000000, 0.0000271400000000, 0.0002241700000000 ] - [ -0.0003825000000000, -0.0003004700000000, 0.0000867100000000 ] - [ 0.0001264200000000, -0.0000977900000000, -0.0000958200000000 ] - [ 0.0004978600000000, -0.0000279800000000, 0.0001301700000000 ] - [ -0.0003623500000000, 0.0018147600000000, -0.0010899200000000 ] - [ -0.0013881100000000, 0.0006935900000000, -0.0057126200000000 ] - [ 0.0010961800000000, -0.0003121400000000, 0.0004563500000000 ] - [ 0.0024769600000000, -0.0000319800000000, 0.0007750500000000 ] - [ 0.0000062600000000, -0.0010434200000000, -0.0053829600000000 ] - [ -0.0001442900000000, 0.0040284600000000, 0.0013971100000000 ] - [ 0.0020877700000000, -0.0004354200000000, -0.0004788500000000 ] - [ -0.0002378500000000, -0.0003556900000000, -0.0002641400000000 ] - [ 0.0015735700000000, -0.0000527000000000, -0.0000573200000000 ] - [ 0.0002009700000000, -0.0002863600000000, 0.0002421500000000 ] - [ -0.0016018600000000, 0.0000234600000000, 0.0000306100000000 ] - [ 0.0023616600000000, -0.0003882100000000, -0.0002144300000000 ] - [ 0.0000855800000000, 0.0063092300000000, 0.0044667300000000 ] - [ -0.0013239800000000, -0.0059594900000000, 0.0041947100000000 ] - [ 0.0009951700000000, 0.0007519100000000, -0.0004919200000000 ] - [ 0.0007263500000000, 0.0008291100000000, -0.0001945200000000 ] - [ -0.0014980900000000, -0.0036285700000000, 0.0016812900000000 ] - [ 0.0035865000000000, 0.0007860200000000, 0.0000841800000000 ] - [ 0.0035467300000000, -0.0006284400000000, 0.0000835200000000 ] - [ -0.0007260100000000, -0.0000385800000000, 0.0000751600000000 ] - [ 0.0004438500000000, -0.0000404900000000, -0.0000228800000000 ] - [ 0.0001886400000000, -0.0002709500000000, 0.0000967300000000 ] - [ 0.0001914300000000, 0.0001892900000000, 0.0000974200000000 ] - [ -0.0241486700000000, -0.0011451900000000, 0.0004039800000000 ] - [ 0.0009385700000000, 0.0000541000000000, 0.0000007400000000 ] - [ 0.0001073100000000, 0.0001594400000000, 0.0000268500000000 ] - [ 0.0001093800000000, -0.0002403400000000, 0.0000265300000000 ] - [ -0.0011379000000000, -0.0000420800000000, 0.0000906900000000 ] - [ 0.0005302500000000, -0.0000418700000000, 0.0000119400000000 ] - [ 0.0001376900000000, 0.0001026600000000, -0.0000723300000000 ] - [ 0.0001374500000000, 0.0000191900000000, -0.0000726900000000 ] - [ -0.0007482300000000, 0.0000611800000000, -0.0001708500000000 ] - [ 0.0004404400000000, 0.0000524400000000, 0.0000040900000000 ]- atom: 135 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006413500000000, -0.0019413300000000, -0.0000014800000000 ] - [ -0.0000708000000000, -0.0006295000000000, -0.0001218500000000 ] - [ 0.0001160400000000, 0.0003314700000000, 0.0001309900000000 ] - [ -0.0001844600000000, 0.0000304700000000, 0.0003003800000000 ] - [ 0.0001844600000000, 0.0000304700000000, -0.0003003800000000 ] - [ -0.0001160400000000, 0.0003314700000000, -0.0001309900000000 ] - [ 0.0000708000000000, -0.0006295000000000, 0.0001218500000000 ] - [ -0.0006413500000000, -0.0019413300000000, 0.0000014800000000 ] - [ -0.0001220300000000, 0.0005530000000000, 0.0000820200000000 ] - [ 0.0002569300000000, 0.0002602900000000, -0.0004461500000000 ] - [ 0.0002340700000000, 0.0003007800000000, 0.0000529300000000 ] - [ 0.0000858500000000, -0.0003729000000000, -0.0001047800000000 ] - [ -0.0000858500000000, -0.0003729000000000, 0.0001047800000000 ] - [ -0.0002340700000000, 0.0003007800000000, -0.0000529300000000 ] - [ -0.0002569300000000, 0.0002602900000000, 0.0004461500000000 ] - [ 0.0001220300000000, 0.0005530000000000, -0.0000820200000000 ] - [ 0.0003199200000000, 0.0016576900000000, 0.0009060000000000 ] - [ -0.0000254800000000, 0.0002095900000000, 0.0001547100000000 ] - [ -0.0000301500000000, -0.0002611600000000, -0.0001577300000000 ] - [ 0.0000409500000000, -0.0006863600000000, -0.0002348600000000 ] - [ -0.0000409500000000, -0.0006863600000000, 0.0002348600000000 ] - [ 0.0000301500000000, -0.0002611600000000, 0.0001577300000000 ] - [ 0.0000254800000000, 0.0002095900000000, -0.0001547100000000 ] - [ -0.0003199200000000, 0.0016576900000000, -0.0009060000000000 ] - [ -0.0000123700000000, 0.0003135300000000, -0.0000630400000000 ] - [ -0.0006546400000000, 0.0023757000000000, 0.0008349000000000 ] - [ -0.0002681000000000, -0.0009881000000000, -0.0001236300000000 ] - [ -0.0000113600000000, -0.0003046800000000, 0.0000639400000000 ] - [ 0.0000113600000000, -0.0003046800000000, -0.0000639400000000 ] - [ 0.0002681000000000, -0.0009881000000000, 0.0001236300000000 ] - [ 0.0006546400000000, 0.0023757000000000, -0.0008349000000000 ] - [ 0.0000123700000000, 0.0003135300000000, 0.0000630400000000 ] - [ 0.0018509300000000, -0.0009047200000000, 0.0014001100000000 ] - [ 0.0005203000000000, 0.0001086100000000, 0.0000090000000000 ] - [ 0.0010937400000000, 0.0001778300000000, 0.0006683700000000 ] - [ -0.0005021500000000, 0.0002526300000000, 0.0002449800000000 ] - [ 0.0007243500000000, -0.0003657800000000, 0.0000324100000000 ] - [ 0.0004053000000000, -0.0003584900000000, 0.0000542000000000 ] - [ -0.0005203000000000, 0.0001086100000000, -0.0000090000000000 ] - [ -0.0018509300000000, -0.0009047200000000, -0.0014001100000000 ] - [ -0.0005511100000000, -0.0000096300000000, -0.0000214000000000 ] - [ -0.0004804500000000, 0.0006583400000000, -0.0007010500000000 ] - [ -0.0015249800000000, -0.0003108700000000, -0.0000315900000000 ] - [ -0.0000099700000000, -0.0000913600000000, -0.0000955800000000 ] - [ 0.0000099700000000, -0.0000913600000000, 0.0000955800000000 ] - [ 0.0015249800000000, -0.0003108700000000, 0.0000315900000000 ] - [ 0.0004804500000000, 0.0006583400000000, 0.0007010500000000 ] - [ 0.0005511100000000, -0.0000096300000000, 0.0000214000000000 ] - [ -0.0003297800000000, -0.0014029800000000, 0.0005378900000000 ] - [ 0.0001748500000000, -0.0002661000000000, 0.0004761400000000 ] - [ 0.0000707700000000, 0.0002821100000000, -0.0004739600000000 ] - [ 0.0000986000000000, 0.0007147900000000, -0.0005683000000000 ] - [ -0.0000986000000000, 0.0007147900000000, 0.0005683000000000 ] - [ -0.0000707700000000, 0.0002821100000000, 0.0004739600000000 ] - [ -0.0001748500000000, -0.0002661000000000, -0.0004761400000000 ] - [ 0.0003297800000000, -0.0014029800000000, -0.0005378900000000 ] - [ -0.0000802000000000, -0.0000518300000000, -0.0004093400000000 ] - [ -0.0000988900000000, -0.0003136000000000, -0.0003524000000000 ] - [ -0.0001693300000000, 0.0009482900000000, 0.0013164700000000 ] - [ -0.0002927100000000, 0.0000386600000000, 0.0005019300000000 ] - [ 0.0002927100000000, 0.0000386600000000, -0.0005019300000000 ] - [ 0.0001693300000000, 0.0009482900000000, -0.0013164700000000 ] - [ 0.0000988900000000, -0.0003136000000000, 0.0003524000000000 ] - [ 0.0000802000000000, -0.0000518300000000, 0.0004093400000000 ] - [ 0.0013314900000000, 0.0031667700000000, -0.0004154900000000 ] - [ 0.0001003700000000, -0.0001187200000000, -0.0002130000000000 ] - [ -0.0000875500000000, 0.0002235900000000, 0.0003433000000000 ] - [ 0.0003795200000000, -0.0000256400000000, 0.0011488700000000 ] - [ -0.0003795200000000, -0.0000256400000000, -0.0011488700000000 ] - [ 0.0000875500000000, 0.0002235900000000, -0.0003433000000000 ] - [ -0.0001003700000000, -0.0001187200000000, 0.0002130000000000 ] - [ -0.0013314900000000, 0.0031667700000000, 0.0004154900000000 ] - [ 0.0000967900000000, 0.0002112600000000, 0.0002660800000000 ] - [ -0.0003716900000000, -0.0001286300000000, -0.0006928200000000 ] - [ 0.0002128800000000, -0.0009308500000000, -0.0006420000000000 ] - [ -0.0001143600000000, -0.0004474100000000, -0.0003295600000000 ] - [ 0.0001143600000000, -0.0004474100000000, 0.0003295600000000 ] - [ -0.0002128800000000, -0.0009308500000000, 0.0006420000000000 ] - [ 0.0003716900000000, -0.0001286300000000, 0.0006928200000000 ] - [ -0.0000967900000000, 0.0002112600000000, -0.0002660800000000 ] - [ -0.0004537200000000, 0.0003135900000000, 0.0003740300000000 ] - [ 0.0001670800000000, 0.0001140600000000, 0.0001876700000000 ] - [ 0.0000061600000000, 0.0001644200000000, -0.0000911600000000 ] - [ 0.0000770300000000, -0.0007636400000000, 0.0005226100000000 ] - [ -0.0000770300000000, -0.0007636400000000, -0.0005226100000000 ] - [ -0.0000061600000000, 0.0001644200000000, 0.0000911600000000 ] - [ -0.0001670800000000, 0.0001140600000000, -0.0001876700000000 ] - [ 0.0004537200000000, 0.0003135900000000, -0.0003740300000000 ] - [ 0.0005021500000000, 0.0002526300000000, -0.0002449800000000 ] - [ -0.0010937400000000, 0.0001778300000000, -0.0006683700000000 ] - [ 0.0000329200000000, -0.0007559700000000, -0.0000407400000000 ] - [ -0.0000551000000000, -0.0003275400000000, 0.0001006100000000 ] - [ 0.0000551000000000, -0.0003275400000000, -0.0001006100000000 ] - [ -0.0000329200000000, -0.0007559700000000, 0.0000407400000000 ] - [ -0.0004053000000000, -0.0003584900000000, -0.0000542000000000 ] - [ -0.0007243500000000, -0.0003657800000000, -0.0000324100000000 ] - [ 0.0000105800000000, -0.0003131200000000, 0.0000285400000000 ] - [ -0.0004996900000000, -0.0014533000000000, -0.0005770000000000 ] - [ 0.0007532100000000, 0.0012794300000000, -0.0007823200000000 ] - [ -0.0003553700000000, 0.0002136900000000, -0.0001284300000000 ] - [ 0.0003553700000000, 0.0002136900000000, 0.0001284300000000 ] - [ -0.0007532100000000, 0.0012794300000000, 0.0007823200000000 ] - [ 0.0004996900000000, -0.0014533000000000, 0.0005770000000000 ] - [ -0.0000105800000000, -0.0003131200000000, -0.0000285400000000 ] - [ -0.0015931800000000, 0.0011890200000000, 0.0016764000000000 ] - [ 0.0004755500000000, 0.0001189700000000, -0.0000571300000000 ] - [ 0.0000770300000000, 0.0000159500000000, 0.0000742700000000 ] - [ 0.0002473800000000, 0.0006101300000000, 0.0002612500000000 ] - [ -0.0002473800000000, 0.0006101300000000, -0.0002612500000000 ] - [ -0.0000770300000000, 0.0000159500000000, -0.0000742700000000 ] - [ -0.0004755500000000, 0.0001189700000000, 0.0000571300000000 ] - [ 0.0015931800000000, 0.0011890200000000, -0.0016764000000000 ] - [ 0.0004751200000000, -0.0042373100000000, -0.0035369500000000 ] - [ -0.0008846800000000, -0.0008162800000000, -0.0002796000000000 ] - [ 0.0008846800000000, -0.0008162800000000, 0.0002796000000000 ] - [ -0.0004751200000000, -0.0042373100000000, 0.0035369500000000 ] - [ 0.0032502700000000, 0.0049543400000000, 0.0020525100000000 ] - [ 0.0001499100000000, 0.0004714000000000, -0.0000361100000000 ] - [ 0.0002772200000000, 0.0015894200000000, 0.0003510800000000 ] - [ 0.0008932300000000, 0.0004643600000000, -0.0000763300000000 ] - [ -0.0008932300000000, 0.0004643600000000, 0.0000763300000000 ] - [ -0.0002772200000000, 0.0015894200000000, -0.0003510800000000 ] - [ 0.0000210900000000, 0.0000392400000000, 0.0002503900000000 ] - [ 0.0066147400000000, 0.0038266600000000, 0.0060270500000000 ] - [ -0.0066147400000000, 0.0038266600000000, -0.0060270500000000 ] - [ -0.0000210900000000, 0.0000392400000000, -0.0002503900000000 ] - [ -0.0001499100000000, 0.0004714000000000, 0.0000361100000000 ] - [ -0.0032502700000000, 0.0049543400000000, -0.0020525100000000 ] - [ 0.0009362300000000, -0.0014092200000000, 0.0000967500000000 ] - [ -0.0009362300000000, -0.0014092200000000, -0.0000967500000000 ] - [ 0.0000000000000000, 0.0003636900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000093000000000, 0.0000000000000000 ] - [ -0.0002820400000000, -0.0001956900000000, -0.0001847500000000 ] - [ 0.0002820400000000, -0.0001956900000000, 0.0001847500000000 ] - [ 0.0000000000000000, -0.0174856300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001965100000000, 0.0000000000000000 ] - [ 0.0002011100000000, 0.0002789600000000, 0.0000668500000000 ] - [ -0.0002011100000000, 0.0002789600000000, -0.0000668500000000 ] - [ 0.0000000000000000, -0.0006033200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001813700000000, 0.0000000000000000 ] - [ -0.0000422200000000, 0.0007610900000000, -0.0000086900000000 ] - [ 0.0000422200000000, 0.0007610900000000, 0.0000086900000000 ] - [ 0.0000000000000000, 0.0018021900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002168200000000, 0.0000000000000000 ]- atom: 135 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005952600000000, 0.0010460200000000, -0.0002210100000000 ] - [ 0.0001205300000000, -0.0002684300000000, -0.0000999300000000 ] - [ -0.0000666100000000, 0.0005843000000000, 0.0000899000000000 ] - [ 0.0002345700000000, 0.0008841800000000, -0.0000810600000000 ] - [ -0.0002345700000000, 0.0008841800000000, 0.0000810600000000 ] - [ 0.0000666100000000, 0.0005843000000000, -0.0000899000000000 ] - [ -0.0001205300000000, -0.0002684300000000, 0.0000999300000000 ] - [ 0.0005952600000000, 0.0010460200000000, 0.0002210100000000 ] - [ 0.0000717400000000, 0.0003642800000000, 0.0001386300000000 ] - [ -0.0003066700000000, 0.0006612400000000, 0.0006693000000000 ] - [ -0.0002345300000000, -0.0011218300000000, -0.0002178500000000 ] - [ -0.0001489500000000, -0.0005165100000000, -0.0001095700000000 ] - [ 0.0001489500000000, -0.0005165100000000, 0.0001095700000000 ] - [ 0.0002345300000000, -0.0011218300000000, 0.0002178500000000 ] - [ 0.0003066700000000, 0.0006612400000000, -0.0006693000000000 ] - [ -0.0000717400000000, 0.0003642800000000, -0.0001386300000000 ] - [ -0.0002348700000000, -0.0017587000000000, -0.0006882100000000 ] - [ 0.0001036800000000, -0.0002912700000000, 0.0000611500000000 ] - [ 0.0001103600000000, 0.0003615800000000, -0.0000564400000000 ] - [ 0.0000404100000000, 0.0007875700000000, 0.0000201900000000 ] - [ -0.0000404100000000, 0.0007875700000000, -0.0000201900000000 ] - [ -0.0001103600000000, 0.0003615800000000, 0.0000564400000000 ] - [ -0.0001036800000000, -0.0002912700000000, -0.0000611500000000 ] - [ 0.0002348700000000, -0.0017587000000000, 0.0006882100000000 ] - [ -0.0000668500000000, -0.0002106500000000, -0.0001487400000000 ] - [ 0.0005708200000000, -0.0022769500000000, -0.0010397900000000 ] - [ 0.0001858200000000, 0.0009067700000000, 0.0003356400000000 ] - [ -0.0000688300000000, 0.0002245600000000, 0.0001495400000000 ] - [ 0.0000688300000000, 0.0002245600000000, -0.0001495400000000 ] - [ -0.0001858200000000, 0.0009067700000000, -0.0003356400000000 ] - [ -0.0005708200000000, -0.0022769500000000, 0.0010397900000000 ] - [ 0.0000668500000000, -0.0002106500000000, 0.0001487400000000 ] - [ -0.0007671700000000, 0.0010676600000000, -0.0013765600000000 ] - [ 0.0005719100000000, 0.0001001600000000, 0.0000031700000000 ] - [ -0.0010233100000000, 0.0002656900000000, -0.0004523500000000 ] - [ 0.0005723100000000, 0.0001923000000000, -0.0000285000000000 ] - [ 0.0003661600000000, 0.0001759900000000, -0.0000445800000000 ] - [ 0.0006874800000000, 0.0001686200000000, -0.0000667500000000 ] - [ -0.0005719100000000, 0.0001001600000000, -0.0000031700000000 ] - [ 0.0007671700000000, 0.0010676600000000, 0.0013765600000000 ] - [ -0.0005412100000000, -0.0001786300000000, 0.0000090700000000 ] - [ -0.0006110100000000, -0.0008420800000000, 0.0006912000000000 ] - [ 0.0004331900000000, 0.0005276300000000, 0.0000454700000000 ] - [ -0.0010787300000000, 0.0003078600000000, 0.0001096000000000 ] - [ 0.0010787300000000, 0.0003078600000000, -0.0001096000000000 ] - [ -0.0004331900000000, 0.0005276300000000, -0.0000454700000000 ] - [ 0.0006110100000000, -0.0008420800000000, -0.0006912000000000 ] - [ 0.0005412100000000, -0.0001786300000000, -0.0000090700000000 ] - [ 0.0004946300000000, 0.0011782500000000, 0.0003652300000000 ] - [ -0.0000047000000000, 0.0000459800000000, 0.0004295900000000 ] - [ 0.0000987500000000, -0.0000396600000000, -0.0004310800000000 ] - [ 0.0000696800000000, -0.0004720000000000, -0.0003349500000000 ] - [ -0.0000696800000000, -0.0004720000000000, 0.0003349500000000 ] - [ -0.0000987500000000, -0.0000396600000000, 0.0004310800000000 ] - [ 0.0000047000000000, 0.0000459800000000, -0.0004295900000000 ] - [ -0.0004946300000000, 0.0011782500000000, -0.0003652300000000 ] - [ -0.0000900900000000, 0.0002932400000000, -0.0004963900000000 ] - [ -0.0000705300000000, 0.0005548600000000, -0.0005535200000000 ] - [ 0.0000479100000000, -0.0012345200000000, -0.0004074900000000 ] - [ 0.0001163800000000, -0.0002728900000000, 0.0004028100000000 ] - [ -0.0001163800000000, -0.0002728900000000, -0.0004028100000000 ] - [ -0.0000479100000000, -0.0012345200000000, 0.0004074900000000 ] - [ 0.0000705300000000, 0.0005548600000000, 0.0005535200000000 ] - [ 0.0000900900000000, 0.0002932400000000, 0.0004963900000000 ] - [ -0.0012535600000000, -0.0036011200000000, -0.0002415400000000 ] - [ -0.0000824100000000, -0.0003518200000000, -0.0003853900000000 ] - [ 0.0001201300000000, 0.0002805000000000, 0.0002484000000000 ] - [ -0.0003449400000000, 0.0005309400000000, -0.0005559300000000 ] - [ 0.0003449400000000, 0.0005309400000000, 0.0005559300000000 ] - [ -0.0001201300000000, 0.0002805000000000, -0.0002484000000000 ] - [ 0.0000824100000000, -0.0003518200000000, 0.0003853900000000 ] - [ 0.0012535600000000, -0.0036011200000000, 0.0002415400000000 ] - [ -0.0001309600000000, 0.0002900800000000, 0.0003234700000000 ] - [ 0.0003394200000000, 0.0006270600000000, 0.0012852900000000 ] - [ -0.0002472400000000, 0.0004490800000000, 0.0000529300000000 ] - [ 0.0000814100000000, -0.0000360300000000, -0.0002605000000000 ] - [ -0.0000814100000000, -0.0000360300000000, 0.0002605000000000 ] - [ 0.0002472400000000, 0.0004490800000000, -0.0000529300000000 ] - [ -0.0003394200000000, 0.0006270600000000, -0.0012852900000000 ] - [ 0.0001309600000000, 0.0002900800000000, -0.0003234700000000 ] - [ 0.0005297400000000, -0.0007387900000000, -0.0001733200000000 ] - [ -0.0000959700000000, -0.0005386800000000, 0.0000134900000000 ] - [ 0.0000659100000000, 0.0002841600000000, -0.0001234900000000 ] - [ -0.0000021000000000, 0.0012089400000000, -0.0007323600000000 ] - [ 0.0000021000000000, 0.0012089400000000, 0.0007323600000000 ] - [ -0.0000659100000000, 0.0002841600000000, 0.0001234900000000 ] - [ 0.0000959700000000, -0.0005386800000000, -0.0000134900000000 ] - [ -0.0005297400000000, -0.0007387900000000, 0.0001733200000000 ] - [ -0.0005723100000000, 0.0001923000000000, 0.0000285000000000 ] - [ 0.0010233100000000, 0.0002656900000000, 0.0004523500000000 ] - [ -0.0001057800000000, 0.0003282300000000, 0.0002571500000000 ] - [ -0.0000169500000000, -0.0001003000000000, 0.0001150500000000 ] - [ 0.0000169500000000, -0.0001003000000000, -0.0001150500000000 ] - [ 0.0001057800000000, 0.0003282300000000, -0.0002571500000000 ] - [ -0.0006874800000000, 0.0001686200000000, 0.0000667500000000 ] - [ -0.0003661600000000, 0.0001759900000000, 0.0000445800000000 ] - [ -0.0002529100000000, 0.0000302000000000, 0.0001132400000000 ] - [ 0.0002609400000000, 0.0011640300000000, 0.0007201900000000 ] - [ -0.0009857400000000, -0.0009760600000000, 0.0006364500000000 ] - [ 0.0001151700000000, 0.0000884300000000, -0.0000108200000000 ] - [ -0.0001151700000000, 0.0000884300000000, 0.0000108200000000 ] - [ 0.0009857400000000, -0.0009760600000000, -0.0006364500000000 ] - [ -0.0002609400000000, 0.0011640300000000, -0.0007201900000000 ] - [ 0.0002529100000000, 0.0000302000000000, -0.0001132400000000 ] - [ 0.0018483600000000, -0.0008858200000000, -0.0018272500000000 ] - [ -0.0002330900000000, 0.0001855700000000, -0.0000822900000000 ] - [ 0.0001630800000000, -0.0002956800000000, 0.0000651000000000 ] - [ -0.0000085000000000, -0.0008896500000000, -0.0001232100000000 ] - [ 0.0000085000000000, -0.0008896500000000, 0.0001232100000000 ] - [ -0.0001630800000000, -0.0002956800000000, -0.0000651000000000 ] - [ 0.0002330900000000, 0.0001855700000000, 0.0000822900000000 ] - [ -0.0018483600000000, -0.0008858200000000, 0.0018272500000000 ] - [ -0.0018636600000000, 0.0038680300000000, 0.0032491300000000 ] - [ -0.0004951800000000, 0.0004588200000000, -0.0000242900000000 ] - [ 0.0004951800000000, 0.0004588200000000, 0.0000242900000000 ] - [ 0.0018636600000000, 0.0038680300000000, -0.0032491300000000 ] - [ -0.0018502400000000, -0.0045733900000000, -0.0023386000000000 ] - [ 0.0012286300000000, -0.0000990700000000, -0.0002670000000000 ] - [ 0.0011058800000000, -0.0019350900000000, -0.0006600500000000 ] - [ 0.0004856400000000, -0.0008096700000000, -0.0002288700000000 ] - [ -0.0004856400000000, -0.0008096700000000, 0.0002288700000000 ] - [ -0.0011058800000000, -0.0019350900000000, 0.0006600500000000 ] - [ 0.0013552600000000, 0.0003405400000000, 0.0000532100000000 ] - [ -0.0052847700000000, -0.0034361500000000, -0.0057638700000000 ] - [ 0.0052847700000000, -0.0034361500000000, 0.0057638700000000 ] - [ -0.0013552600000000, 0.0003405400000000, -0.0000532100000000 ] - [ -0.0012286300000000, -0.0000990700000000, 0.0002670000000000 ] - [ 0.0018502400000000, -0.0045733900000000, 0.0023386000000000 ] - [ -0.0009435700000000, 0.0015083200000000, -0.0000981600000000 ] - [ 0.0009435700000000, 0.0015083200000000, 0.0000981600000000 ] - [ 0.0000000000000000, -0.0004484500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000929100000000, 0.0000000000000000 ] - [ 0.0002816200000000, 0.0001147600000000, 0.0001847300000000 ] - [ -0.0002816200000000, 0.0001147600000000, -0.0001847300000000 ] - [ 0.0000000000000000, 0.0160550300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002963500000000, 0.0000000000000000 ] - [ -0.0002005600000000, -0.0003615500000000, -0.0000664000000000 ] - [ 0.0002005600000000, -0.0003615500000000, 0.0000664000000000 ] - [ 0.0000000000000000, 0.0005252300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000991200000000, 0.0000000000000000 ] - [ 0.0000445100000000, -0.0006558200000000, 0.0000084200000000 ] - [ -0.0000445100000000, -0.0006558200000000, -0.0000084200000000 ] - [ 0.0000000000000000, -0.0016983900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001111500000000, 0.0000000000000000 ]- atom: 135 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002303100000000, 0.0000781100000000, 0.0001219900000000 ] - [ 0.0000393700000000, -0.0003953000000000, -0.0000457100000000 ] - [ -0.0000233100000000, 0.0004808100000000, 0.0000421600000000 ] - [ 0.0001409100000000, 0.0007817800000000, -0.0001740300000000 ] - [ 0.0001008400000000, 0.0001794000000000, -0.0004041400000000 ] - [ -0.0000634900000000, 0.0004765100000000, -0.0001858700000000 ] - [ -0.0000043700000000, -0.0005357900000000, 0.0001840300000000 ] - [ -0.0002822100000000, -0.0010115500000000, 0.0003454600000000 ] - [ -0.0000941700000000, 0.0004053400000000, -0.0000003000000000 ] - [ 0.0003380100000000, -0.0003428100000000, -0.0007074700000000 ] - [ 0.0001556000000000, -0.0009911400000000, 0.0011844300000000 ] - [ 0.0000213200000000, -0.0004719700000000, -0.0000255200000000 ] - [ 0.0000811900000000, -0.0004595900000000, 0.0002013600000000 ] - [ 0.0001898500000000, 0.0000962500000000, 0.0013943300000000 ] - [ 0.0003838500000000, 0.0013159900000000, -0.0009383100000000 ] - [ -0.0000429800000000, 0.0005707500000000, -0.0002313700000000 ] - [ -0.0004900300000000, 0.0016958100000000, 0.0013248300000000 ] - [ 0.0001391800000000, 0.0000704300000000, 0.0001590100000000 ] - [ -0.0000141800000000, 0.0000248200000000, -0.0001590800000000 ] - [ 0.0001147800000000, -0.0001118500000000, -0.0001673300000000 ] - [ 0.0000484100000000, 0.0001939900000000, 0.0000573300000000 ] - [ -0.0000826200000000, 0.0000607900000000, 0.0000653100000000 ] - [ 0.0000660300000000, -0.0000801300000000, -0.0000684700000000 ] - [ -0.0006154000000000, -0.0017232700000000, 0.0010031700000000 ] - [ -0.0001446800000000, 0.0000480400000000, -0.0001543100000000 ] - [ 0.0012635100000000, 0.0000573900000000, -0.0020252200000000 ] - [ -0.0001526400000000, -0.0002371000000000, 0.0000867900000000 ] - [ -0.0000133100000000, -0.0000869700000000, 0.0001191700000000 ] - [ 0.0000547500000000, 0.0000396500000000, -0.0001054500000000 ] - [ -0.0000841900000000, 0.0001862900000000, -0.0001375300000000 ] - [ 0.0013347400000000, 0.0000008300000000, -0.0017915300000000 ] - [ -0.0000747800000000, 0.0000131600000000, 0.0000985400000000 ] - [ 0.0001641800000000, 0.0013391500000000, 0.0006198100000000 ] - [ 0.0004958500000000, 0.0001159200000000, 0.0000347100000000 ] - [ -0.0008233100000000, 0.0005717800000000, 0.0001078800000000 ] - [ 0.0004771100000000, 0.0004153500000000, 0.0002133700000000 ] - [ 0.0004127500000000, -0.0000358200000000, -0.0000949300000000 ] - [ 0.0006461200000000, -0.0000658600000000, -0.0000822000000000 ] - [ -0.0005487900000000, 0.0000929200000000, 0.0000297800000000 ] - [ -0.0008905400000000, -0.0011423600000000, 0.0005878400000000 ] - [ -0.0005275400000000, -0.0000895300000000, -0.0000579400000000 ] - [ -0.0003458300000000, -0.0006472300000000, -0.0019953200000000 ] - [ -0.0011681100000000, -0.0001641700000000, 0.0001346800000000 ] - [ -0.0002145700000000, -0.0000773700000000, 0.0001327900000000 ] - [ 0.0008222100000000, 0.0002728600000000, 0.0001371100000000 ] - [ -0.0001294700000000, 0.0003619200000000, 0.0001387300000000 ] - [ 0.0006883600000000, 0.0004689600000000, -0.0019829000000000 ] - [ 0.0005135100000000, -0.0000836400000000, -0.0000562500000000 ] - [ 0.0001129400000000, -0.0004801200000000, 0.0012790600000000 ] - [ 0.0000880800000000, -0.0001484900000000, 0.0005554500000000 ] - [ 0.0000993600000000, 0.0001474900000000, -0.0007348400000000 ] - [ 0.0003151100000000, 0.0002994700000000, -0.0021315700000000 ] - [ 0.0001508700000000, -0.0000786500000000, -0.0012741000000000 ] - [ -0.0000592700000000, 0.0000719200000000, 0.0001162600000000 ] - [ -0.0000754100000000, -0.0000498300000000, -0.0003004300000000 ] - [ -0.0000537700000000, 0.0002779400000000, 0.0004200500000000 ] - [ -0.0001010000000000, 0.0001424400000000, -0.0005359900000000 ] - [ -0.0000801200000000, 0.0001633700000000, -0.0007313100000000 ] - [ -0.0003068900000000, -0.0001912600000000, 0.0025955900000000 ] - [ -0.0001076300000000, -0.0001050700000000, 0.0006322000000000 ] - [ 0.0000559400000000, -0.0000816300000000, -0.0002222500000000 ] - [ -0.0001549500000000, -0.0000047200000000, 0.0017238700000000 ] - [ 0.0000844700000000, 0.0000659700000000, 0.0001469200000000 ] - [ 0.0000641600000000, 0.0000889200000000, 0.0003454800000000 ] - [ -0.0012948000000000, -0.0019823400000000, 0.0015063900000000 ] - [ -0.0000678100000000, -0.0002147900000000, -0.0001532500000000 ] - [ 0.0001124200000000, 0.0003409400000000, 0.0002447000000000 ] - [ -0.0002550400000000, 0.0005971800000000, -0.0004411600000000 ] - [ -0.0002943700000000, -0.0000976800000000, -0.0010053600000000 ] - [ 0.0000762400000000, 0.0001576300000000, -0.0003224400000000 ] - [ -0.0000918100000000, -0.0002424900000000, 0.0004057400000000 ] - [ -0.0013994100000000, 0.0015963000000000, 0.0021226100000000 ] - [ 0.0000179800000000, 0.0002205200000000, 0.0001990600000000 ] - [ -0.0001807000000000, -0.0004359500000000, -0.0006514200000000 ] - [ 0.0001111300000000, -0.0003885800000000, -0.0001496500000000 ] - [ -0.0000968900000000, -0.0002824300000000, -0.0002828700000000 ] - [ -0.0000515700000000, -0.0001901800000000, 0.0002958500000000 ] - [ 0.0001493800000000, -0.0000845400000000, 0.0004367400000000 ] - [ -0.0001339500000000, 0.0009524100000000, -0.0012158700000000 ] - [ 0.0000648200000000, 0.0002936000000000, -0.0003702300000000 ] - [ 0.0012957500000000, -0.0001670800000000, -0.0001478600000000 ] - [ -0.0005556300000000, -0.0001334200000000, -0.0000700700000000 ] - [ 0.0000534400000000, 0.0002466100000000, -0.0001080300000000 ] - [ 0.0000320500000000, 0.0009409300000000, -0.0002841100000000 ] - [ -0.0000706900000000, -0.0004841300000000, -0.0000448500000000 ] - [ -0.0000474600000000, 0.0002127500000000, 0.0001274300000000 ] - [ -0.0006793900000000, -0.0002877600000000, -0.0003092400000000 ] - [ 0.0011747900000000, -0.0002552900000000, -0.0003896600000000 ] - [ 0.0003595700000000, 0.0000605900000000, -0.0000254000000000 ] - [ -0.0009440100000000, -0.0000950000000000, -0.0001344900000000 ] - [ 0.0000840700000000, -0.0002949100000000, 0.0000427400000000 ] - [ -0.0000799700000000, -0.0002157100000000, 0.0001058100000000 ] - [ 0.0000061600000000, -0.0002033300000000, -0.0001329100000000 ] - [ 0.0001686100000000, -0.0001248700000000, -0.0001891500000000 ] - [ -0.0004192700000000, -0.0001043300000000, -0.0000794100000000 ] - [ -0.0006554300000000, -0.0001351500000000, -0.0000911100000000 ] - [ -0.0004122200000000, -0.0001505100000000, 0.0001577900000000 ] - [ 0.0012968100000000, -0.0007418200000000, 0.0020873500000000 ] - [ -0.0005432200000000, -0.0008886300000000, -0.0003501800000000 ] - [ 0.0000280600000000, 0.0001154600000000, -0.0001042400000000 ] - [ 0.0002537500000000, 0.0001804800000000, 0.0000375200000000 ] - [ -0.0003161500000000, 0.0011890700000000, -0.0002113300000000 ] - [ 0.0015472200000000, 0.0004860100000000, 0.0019412600000000 ] - [ -0.0001786200000000, -0.0001108300000000, 0.0000019800000000 ] - [ -0.0011121600000000, 0.0016245100000000, -0.0003079900000000 ] - [ 0.0003380700000000, 0.0001833400000000, -0.0001445400000000 ] - [ 0.0000941600000000, -0.0001202800000000, 0.0000959500000000 ] - [ 0.0001715300000000, 0.0000723600000000, 0.0002767000000000 ] - [ -0.0000608300000000, -0.0003363200000000, 0.0001294800000000 ] - [ -0.0001357600000000, -0.0001443200000000, -0.0000480500000000 ] - [ 0.0001047300000000, 0.0001232700000000, -0.0000025000000000 ] - [ -0.0013411200000000, -0.0013228700000000, -0.0001810100000000 ] - [ -0.0050789400000000, -0.0021756500000000, 0.0067757600000000 ] - [ -0.0001758100000000, -0.0002242100000000, 0.0001686800000000 ] - [ 0.0012150500000000, -0.0001137500000000, 0.0004910400000000 ] - [ -0.0037433300000000, 0.0018578600000000, 0.0071425500000000 ] - [ 0.0020236600000000, 0.0034354300000000, -0.0001007800000000 ] - [ 0.0003884500000000, 0.0004056400000000, -0.0003325200000000 ] - [ 0.0003447000000000, 0.0000982700000000, 0.0001945800000000 ] - [ 0.0009003400000000, -0.0001123600000000, -0.0000111100000000 ] - [ -0.0004854200000000, -0.0002455200000000, 0.0003032300000000 ] - [ -0.0010317000000000, -0.0004549700000000, 0.0005012500000000 ] - [ 0.0003826500000000, 0.0003649700000000, -0.0001264400000000 ] - [ 0.0048952000000000, 0.0058965600000000, -0.0004210800000000 ] - [ 0.0034991300000000, -0.0055518400000000, -0.0008171800000000 ] - [ -0.0010154200000000, 0.0000045500000000, -0.0004623900000000 ] - [ -0.0009869500000000, -0.0000080800000000, -0.0000387000000000 ] - [ 0.0006617200000000, -0.0030274000000000, 0.0002007900000000 ] - [ -0.0000637600000000, 0.0001183300000000, -0.0014411600000000 ] - [ -0.0000622700000000, -0.0000583900000000, -0.0014568500000000 ] - [ 0.0000817100000000, -0.0000370300000000, 0.0008916400000000 ] - [ -0.0000006800000000, -0.0000420200000000, 0.0000893700000000 ] - [ 0.0000050100000000, 0.0000790800000000, 0.0005565400000000 ] - [ 0.0000033700000000, -0.0001575600000000, 0.0005579500000000 ] - [ 0.0004046300000000, -0.0013240500000000, -0.0152449000000000 ] - [ 0.0000021000000000, 0.0000516800000000, -0.0001272600000000 ] - [ -0.0000262000000000, -0.0001033400000000, 0.0003026400000000 ] - [ -0.0000268400000000, 0.0000295400000000, 0.0003031100000000 ] - [ 0.0000917900000000, -0.0000403200000000, 0.0020232300000000 ] - [ 0.0000098400000000, -0.0000364100000000, 0.0001041500000000 ] - [ 0.0000705200000000, 0.0000481800000000, -0.0002363700000000 ] - [ 0.0000747800000000, 0.0000626300000000, -0.0002368700000000 ] - [ -0.0001765200000000, 0.0000627800000000, -0.0005583800000000 ] - [ 0.0000332300000000, 0.0000596300000000, -0.0000790300000000 ]