# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b61343b1-16fe-4940-9e3d-bca1534ce652/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 CdI2 / R3m (160) / materials id 627401](https://mdr.nims.go.jp/datasets/98f38636-8881-41fe-8df4-2f6095f89d03) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.111055796666669, 1.218818629999999, 34.236953539999966 ] # a - [ -2.111055793333331, 1.218818629999999, 34.236953539999966 ] # b - [ -0.000000003333331, -2.437637260000001, 34.236953539999966 ] # c points: - symbol: Cd # 1 coordinates: [ 0.683336140000000, 0.683336150000001, 0.683336140000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.883336750000000, 0.883336760000002, 0.883336750000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.283340500000000, 0.283340490000002, 0.283340500000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.149986980000000, 0.149986970000001, 0.149986980000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.749995430000000, 0.749995440000001, 0.749995430000000 ] mass: 112.411000 - symbol: I # 6 coordinates: [ 0.366599970000000, 0.366599970000001, 0.366599970000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.433261830000000, 0.433261830000001, 0.433261830000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.800055710000000, 0.800055720000001, 0.800055710000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.200072400000000, 0.200072390000002, 0.200072400000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.633274860000000, 0.633274860000002, 0.633274860000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.566604760000000, 0.566604760000002, 0.566604760000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.000071230000000, 0.000071220000001, 0.000071230000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.499922010000000, 0.499922010000002, 0.499922010000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.933406370000000, 0.933406380000002, 0.933406370000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.066735040000000, 0.066735030000001, 0.066735040000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236848311249869, 0.136744436103606, 0.009736068746417 ] # a* - [ -0.236848311249869, 0.136744436751360, 0.009736068746417 ] # b* - [ -0.000000000000000, -0.273488872854966, 0.009736068746417 ] # c*unit_cell: lattice: - [ 4.222111590000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111055790000000, 3.656455890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 102.710860620000005 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.350002810000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.550003420000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.616673830000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.483320310000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416662100000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.683336140000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.883336750000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950007160000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.816653650000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749995440000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.016669470000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.216670090000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.283340500000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.149986980000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083328770000000 ] mass: 112.411000 reduced_to: 5 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.366599970000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.433261830000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.466722380000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.533405730000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.633274860000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.566604760000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333404560000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499922010000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600073040000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.400068370000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.699933300000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.766595160000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800055710000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.866739070000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.966608200000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.899938090000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666737900000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833255340000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.933406370000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.733401700000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.033266630000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.099928490000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.133389040000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200072400000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.299941530000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.233271430000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000071230000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166588680000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266739710000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.066735040000000 ] mass: 126.904470 reduced_to: 25supercell: lattice: - [ 4.222111590000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111055790000000, 3.656455890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 102.710860620000005 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.350002810000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.550003420000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.616673830000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.483320310000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416662100000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.683336140000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.883336750000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950007160000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.816653650000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749995440000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.016669470000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.216670090000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.283340500000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.149986980000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083328770000000 ] mass: 112.411000 reduced_to: 5 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.366599970000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.433261830000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.466722380000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.533405730000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.633274860000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.566604760000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333404560000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499922010000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600073040000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.400068370000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.699933300000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.766595160000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800055710000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.866739070000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.966608200000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.899938090000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666737900000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833255340000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.933406370000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.733401700000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.033266630000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.099928490000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.133389040000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200072400000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.299941530000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.233271430000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000071230000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166588680000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266739710000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.066735040000000 ] mass: 126.904470 reduced_to: 25displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214865700000000, -0.0000131400000000, 0.0000849800000000 ] - [ 0.0000010100000000, -0.0000002500000000, 0.0001001000000000 ] - [ -0.0000032500000000, 0.0000007400000000, -0.0002943900000000 ] - [ -0.0000028100000000, 0.0000008000000000, -0.0001763900000000 ] - [ 0.0000972900000000, -0.0000000800000000, -0.0003500900000000 ] - [ 0.0000003300000000, 0.0000003600000000, 0.0002122800000000 ] - [ 0.0000011100000000, 0.0000002600000000, 0.0001593300000000 ] - [ 0.0000027300000000, -0.0000002100000000, -0.0001519700000000 ] - [ 0.0000025800000000, -0.0000002100000000, -0.0004525000000000 ] - [ -0.0000022500000000, 0.0000002500000000, -0.0001590000000000 ] - [ -0.0000005200000000, 0.0000008800000000, -0.0000074200000000 ] - [ -0.0000029500000000, 0.0000007600000000, -0.0000247000000000 ] - [ 0.0000352500000000, -0.0000000700000000, -0.0000778400000000 ] - [ -0.0000008500000000, 0.0000002900000000, -0.0003032400000000 ] - [ -0.0000032100000000, 0.0000007600000000, -0.0000517000000000 ] - [ 0.0109327900000000, 0.0002045700000000, -0.0003702100000000 ] - [ 0.0000073900000000, 0.0000004400000000, -0.0005065800000000 ] - [ -0.0000024000000000, 0.0000004900000000, 0.0002290000000000 ] - [ 0.0000016700000000, 0.0000003300000000, 0.0004725300000000 ] - [ 0.0000004400000000, -0.0000001000000000, 0.0003511700000000 ] - [ 0.0000003700000000, 0.0000002800000000, -0.0006908500000000 ] - [ 0.0107505900000000, -0.0002041600000000, 0.0004578900000000 ] - [ 0.0000006500000000, 0.0000001300000000, -0.0003645200000000 ] - [ 0.0000026200000000, 0.0000005200000000, 0.0006038500000000 ] - [ -0.0002772100000000, 0.0000000000000000, 0.0003088100000000 ] - [ -0.0000009900000000, 0.0000004600000000, -0.0006105500000000 ] - [ -0.0000003800000000, 0.0000003900000000, -0.0004994600000000 ] - [ -0.0000001600000000, 0.0000005200000000, 0.0002189900000000 ] - [ -0.0000003400000000, 0.0000002700000000, 0.0004651800000000 ] - [ 0.0000013500000000, -0.0000000700000000, 0.0003544200000000 ] - [ -0.0000003100000000, 0.0000002700000000, -0.0006878800000000 ] - [ -0.0000016700000000, 0.0000002100000000, 0.0007007600000000 ] - [ 0.0000009900000000, 0.0000001800000000, -0.0003714800000000 ] - [ -0.0000002600000000, 0.0000005700000000, 0.0006156800000000 ] - [ -0.0000005200000000, 0.0000001100000000, 0.0003199700000000 ] - [ -0.0000019100000000, 0.0000004100000000, -0.0006123800000000 ] - [ 0.0000024800000000, 0.0000003400000000, -0.0004930900000000 ] - [ 0.0000005200000000, 0.0000005200000000, 0.0002324500000000 ] - [ 0.0000009000000000, 0.0000002800000000, 0.0004546300000000 ] - [ -0.0000741600000000, 0.0000006300000000, 0.0003642500000000 ] - [ -0.0000019100000000, 0.0000002400000000, -0.0006920100000000 ] - [ -0.0000006400000000, 0.0000002000000000, 0.0006916700000000 ] - [ 0.0000000900000000, 0.0000001300000000, -0.0003782000000000 ] - [ 0.0000214100000000, 0.0000005500000000, 0.0006131300000000 ] - [ 0.0000006600000000, 0.0000001300000000, 0.0003153900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0608852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007679900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006416600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003615900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307636800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007011700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008294900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003491800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010313000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003548300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007157200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000177900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0610529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009622100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005632600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0295715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006858300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006547800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006462400000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011400000000, -0.0000001400000000, 0.0000879300000000 ] - [ -0.0214863000000000, -0.0000125300000000, 0.0000968400000000 ] - [ 0.0000343500000000, 0.0000010100000000, -0.0002941700000000 ] - [ 0.0000343500000000, 0.0000008900000000, -0.0001765000000000 ] - [ 0.0000012300000000, -0.0000002600000000, -0.0003505600000000 ] - [ -0.0000019800000000, 0.0000003600000000, 0.0002124900000000 ] - [ 0.0000003200000000, 0.0000002600000000, 0.0001592600000000 ] - [ 0.0000027700000000, -0.0000002200000000, -0.0001520000000000 ] - [ 0.0000002500000000, -0.0000002100000000, -0.0004524900000000 ] - [ -0.0000008300000000, 0.0000002600000000, -0.0001590800000000 ] - [ 0.0000003800000000, 0.0000008800000000, -0.0000072100000000 ] - [ -0.0000005300000000, 0.0000007600000000, -0.0000247900000000 ] - [ -0.0000022700000000, 0.0000002000000000, -0.0000776100000000 ] - [ -0.0000020900000000, 0.0000002800000000, -0.0003032200000000 ] - [ 0.0000005400000000, 0.0000007600000000, -0.0000518000000000 ] - [ 0.0000014200000000, 0.0000004400000000, -0.0006184200000000 ] - [ -0.0000011700000000, 0.0000004000000000, -0.0005071300000000 ] - [ -0.0000293200000000, 0.0000005300000000, 0.0002293100000000 ] - [ 0.0109527100000000, -0.0002039900000000, 0.0002260400000000 ] - [ 0.0000215200000000, -0.0000000700000000, 0.0003509600000000 ] - [ 0.0107358300000000, 0.0002044300000000, -0.0004441000000000 ] - [ 0.0000008300000000, 0.0000002400000000, 0.0007062800000000 ] - [ -0.0001864800000000, 0.0000000700000000, -0.0003653900000000 ] - [ -0.0000740100000000, -0.0000002200000000, 0.0006042300000000 ] - [ 0.0000004300000000, 0.0000001700000000, 0.0003093200000000 ] - [ 0.0000005400000000, 0.0000004600000000, -0.0006112500000000 ] - [ 0.0000003300000000, 0.0000003900000000, -0.0004999600000000 ] - [ -0.0000008900000000, 0.0000005200000000, 0.0002193700000000 ] - [ -0.0000015300000000, 0.0000002800000000, 0.0004657200000000 ] - [ -0.0000001800000000, -0.0000000500000000, 0.0003542300000000 ] - [ -0.0000010500000000, 0.0000002900000000, -0.0006884800000000 ] - [ -0.0000014500000000, 0.0000002100000000, 0.0007015100000000 ] - [ 0.0000006600000000, 0.0000001800000000, -0.0003718900000000 ] - [ 0.0000013800000000, 0.0000005700000000, 0.0006158700000000 ] - [ 0.0000001600000000, 0.0000001100000000, 0.0003206000000000 ] - [ -0.0000005900000000, 0.0000004100000000, -0.0006130900000000 ] - [ -0.0000015800000000, 0.0000003400000000, -0.0004936300000000 ] - [ -0.0000003100000000, 0.0000005300000000, 0.0002328200000000 ] - [ -0.0000005300000000, 0.0000002800000000, 0.0004552400000000 ] - [ 0.0000027200000000, -0.0000001000000000, 0.0003641700000000 ] - [ -0.0000020000000000, 0.0000002400000000, -0.0006926500000000 ] - [ 0.0000002100000000, 0.0000002100000000, 0.0006924100000000 ] - [ -0.0000004500000000, 0.0000001300000000, -0.0003786200000000 ] - [ 0.0000003800000000, 0.0000005800000000, 0.0006133700000000 ] - [ 0.0000011000000000, 0.0000001300000000, 0.0003160600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005402100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008766900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008257400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002153900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009507400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0295824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000279600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008341400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001154200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000216500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007060800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000305700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003531500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000209500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005817400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008275500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011190200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006879800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007166300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001693800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298475300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006190800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006419900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003473000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010370500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006544500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005638200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006486600000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007600000000, -0.0000013100000000, 0.0000874300000000 ] - [ 0.0000367300000000, -0.0000015100000000, 0.0000992200000000 ] - [ -0.0215497900000000, 0.0000395000000000, -0.0002741700000000 ] - [ 0.0000000200000000, -0.0000003800000000, -0.0001769500000000 ] - [ 0.0000006800000000, -0.0000014300000000, -0.0003511600000000 ] - [ 0.0000360000000000, -0.0000007200000000, 0.0002121000000000 ] - [ -0.0000016700000000, -0.0000009000000000, 0.0001587500000000 ] - [ 0.0000018800000000, -0.0000013900000000, -0.0001524800000000 ] - [ 0.0000007600000000, -0.0000013800000000, -0.0004530300000000 ] - [ -0.0000012300000000, -0.0000009300000000, -0.0001596000000000 ] - [ 0.0000018600000000, -0.0000003000000000, -0.0000078000000000 ] - [ 0.0000018400000000, -0.0000004200000000, -0.0000253100000000 ] - [ 0.0000011000000000, -0.0000009600000000, -0.0000781600000000 ] - [ 0.0000019000000000, -0.0000008800000000, -0.0003037600000000 ] - [ 0.0000012500000000, -0.0000004100000000, -0.0000523600000000 ] - [ -0.0000002800000000, -0.0000007200000000, -0.0006189400000000 ] - [ 0.0000020300000000, -0.0000007800000000, -0.0005076600000000 ] - [ 0.0000010000000000, -0.0000006900000000, 0.0002288600000000 ] - [ -0.0000285400000000, -0.0000009000000000, 0.0004725600000000 ] - [ 0.0109424300000000, -0.0002052600000000, 0.0005973100000000 ] - [ -0.0001867600000000, -0.0000008400000000, -0.0006924600000000 ] - [ -0.0000010700000000, -0.0000009200000000, 0.0007057600000000 ] - [ -0.0000001500000000, -0.0000010500000000, -0.0003654500000000 ] - [ 0.0109436800000000, 0.0002033900000000, 0.0003566900000000 ] - [ -0.0000015900000000, -0.0000010000000000, 0.0003088100000000 ] - [ -0.0000282500000000, -0.0000006800000000, -0.0006117300000000 ] - [ 0.0000018800000000, -0.0000007900000000, -0.0005005000000000 ] - [ 0.0000020300000000, -0.0000006500000000, 0.0002188400000000 ] - [ 0.0000001200000000, -0.0000009000000000, 0.0004652000000000 ] - [ 0.0000013400000000, -0.0000012300000000, 0.0003536900000000 ] - [ -0.0000014700000000, -0.0000009000000000, -0.0006890200000000 ] - [ -0.0001870200000000, -0.0000010400000000, 0.0007014700000000 ] - [ -0.0000015500000000, -0.0000009900000000, -0.0003724200000000 ] - [ 0.0000013700000000, -0.0000006100000000, 0.0006153500000000 ] - [ -0.0000012100000000, -0.0000010500000000, 0.0003200800000000 ] - [ 0.0000004600000000, -0.0000007700000000, -0.0006136100000000 ] - [ 0.0000015000000000, -0.0000008200000000, -0.0004941700000000 ] - [ 0.0000000300000000, -0.0000006400000000, 0.0002323100000000 ] - [ 0.0000007700000000, -0.0000008900000000, 0.0004547100000000 ] - [ 0.0000014800000000, -0.0000012700000000, 0.0003636300000000 ] - [ 0.0000019400000000, -0.0000009300000000, -0.0006931700000000 ] - [ 0.0000023300000000, -0.0000009700000000, 0.0006918700000000 ] - [ 0.0000008200000000, -0.0000010400000000, -0.0003791400000000 ] - [ 0.0000013000000000, -0.0000006000000000, 0.0006128500000000 ] - [ 0.0000008000000000, -0.0000010500000000, 0.0003155500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007525300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008194700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611877600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004947200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009287200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005094700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006478400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006206000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008416300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001066200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009612300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009470100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002781400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000255700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0608036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005103200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007531300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009760500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297610400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010398300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000304100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000341900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009481000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005641200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006942200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010219300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000431900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006481500000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004100000000, -0.0000012500000000, 0.0000882300000000 ] - [ 0.0000365700000000, -0.0000016500000000, 0.0001006700000000 ] - [ -0.0000000600000000, -0.0000003900000000, -0.0002939100000000 ] - [ -0.0215128700000000, 0.0000368600000000, -0.0001985100000000 ] - [ 0.0000368400000000, -0.0000014700000000, -0.0003502000000000 ] - [ -0.0000002000000000, -0.0000007700000000, 0.0002127600000000 ] - [ -0.0000016300000000, -0.0000008600000000, 0.0001598500000000 ] - [ 0.0000026000000000, -0.0000013500000000, -0.0001515400000000 ] - [ 0.0000019100000000, -0.0000013400000000, -0.0004520600000000 ] - [ -0.0000017200000000, -0.0000008600000000, -0.0001585000000000 ] - [ 0.0000013500000000, -0.0000002300000000, -0.0000069400000000 ] - [ -0.0000010600000000, -0.0000003500000000, -0.0000242600000000 ] - [ -0.0000002000000000, -0.0000009200000000, -0.0000772200000000 ] - [ 0.0000010100000000, -0.0000008400000000, -0.0003027900000000 ] - [ 0.0000016800000000, -0.0000003700000000, -0.0000512100000000 ] - [ -0.0000015800000000, -0.0000006900000000, -0.0006171900000000 ] - [ -0.0001882600000000, -0.0000006700000000, -0.0005066400000000 ] - [ 0.0109533100000000, 0.0002036700000000, -0.0000177200000000 ] - [ -0.0000739500000000, -0.0000000900000000, 0.0004731000000000 ] - [ 0.0000011500000000, -0.0000012100000000, 0.0003516000000000 ] - [ 0.0000221400000000, -0.0000008800000000, -0.0006904100000000 ] - [ 0.0000021500000000, -0.0000008700000000, 0.0007059400000000 ] - [ 0.0107357600000000, -0.0002051100000000, -0.0001166800000000 ] - [ -0.0000002900000000, -0.0000005900000000, 0.0006043000000000 ] - [ -0.0000281100000000, -0.0000010100000000, 0.0003089600000000 ] - [ -0.0000018700000000, -0.0000006600000000, -0.0006101100000000 ] - [ -0.0000014900000000, -0.0000007300000000, -0.0004990000000000 ] - [ 0.0000012700000000, -0.0000006000000000, 0.0002194100000000 ] - [ 0.0000023200000000, -0.0000008400000000, 0.0004655700000000 ] - [ 0.0000000100000000, -0.0000011800000000, 0.0003548300000000 ] - [ 0.0000006000000000, -0.0000008500000000, -0.0006874500000000 ] - [ 0.0000023700000000, -0.0000009200000000, 0.0007011800000000 ] - [ 0.0000014100000000, -0.0000009500000000, -0.0003710000000000 ] - [ 0.0000005200000000, -0.0000005500000000, 0.0006161400000000 ] - [ -0.0000000700000000, -0.0000010100000000, 0.0003203700000000 ] - [ 0.0000005200000000, -0.0000007100000000, -0.0006119400000000 ] - [ 0.0000019200000000, -0.0000007700000000, -0.0004926300000000 ] - [ 0.0000012200000000, -0.0000006000000000, 0.0002328700000000 ] - [ 0.0000014000000000, -0.0000008400000000, 0.0004550600000000 ] - [ 0.0000020800000000, -0.0000012200000000, 0.0003648500000000 ] - [ -0.0000003900000000, -0.0000008900000000, -0.0006915400000000 ] - [ 0.0000017500000000, -0.0000009100000000, 0.0006921000000000 ] - [ 0.0000015300000000, -0.0000009900000000, -0.0003777100000000 ] - [ -0.0000018100000000, -0.0000005400000000, 0.0006135700000000 ] - [ 0.0000005900000000, -0.0000009900000000, 0.0003158100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007547400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008208600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003691700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008275900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002161500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006658200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303327900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000228400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003650100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009414800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008216300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000192200000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006132600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0607288100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004536000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008210400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008210100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300873200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004891900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010402900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010342400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010250300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000384700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006501600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000980300000000, 0.0000004400000000, 0.0000872000000000 ] - [ 0.0000018500000000, 0.0000004400000000, 0.0000994300000000 ] - [ -0.0000010400000000, 0.0000014100000000, -0.0002948200000000 ] - [ 0.0000351600000000, 0.0000017700000000, -0.0001767000000000 ] - [ -0.0215284800000000, -0.0000428200000000, -0.0003309400000000 ] - [ -0.0000015900000000, 0.0000010500000000, 0.0002120000000000 ] - [ 0.0000020300000000, 0.0000009400000000, 0.0001587500000000 ] - [ 0.0000030100000000, 0.0000004700000000, -0.0001524600000000 ] - [ 0.0000036000000000, 0.0000004600000000, -0.0004530300000000 ] - [ 0.0000010000000000, 0.0000009400000000, -0.0001595900000000 ] - [ -0.0000023400000000, 0.0000015700000000, -0.0000077300000000 ] - [ -0.0000010500000000, 0.0000014400000000, -0.0000253400000000 ] - [ -0.0000011800000000, 0.0000009000000000, -0.0000781500000000 ] - [ -0.0000016300000000, 0.0000009600000000, -0.0003037600000000 ] - [ 0.0000001500000000, 0.0000014400000000, -0.0000523300000000 ] - [ -0.0002769400000000, 0.0000013100000000, -0.0006191300000000 ] - [ 0.0107443100000000, 0.0002053900000000, -0.0002600700000000 ] - [ -0.0000746600000000, 0.0000004200000000, 0.0002289700000000 ] - [ 0.0000000000000000, 0.0000010100000000, 0.0004726200000000 ] - [ 0.0000013600000000, 0.0000006000000000, 0.0003504700000000 ] - [ 0.0000009300000000, 0.0000009600000000, -0.0006920100000000 ] - [ 0.0000083900000000, 0.0000008800000000, 0.0007057300000000 ] - [ 0.0000227700000000, 0.0000008500000000, -0.0003654600000000 ] - [ 0.0000006700000000, 0.0000012100000000, 0.0006035200000000 ] - [ 0.0109514400000000, -0.0002035300000000, 0.0000611400000000 ] - [ 0.0000010900000000, 0.0000011400000000, -0.0006117600000000 ] - [ -0.0000003300000000, 0.0000010900000000, -0.0005004600000000 ] - [ 0.0000020100000000, 0.0000012200000000, 0.0002188600000000 ] - [ -0.0000005700000000, 0.0000009600000000, 0.0004652100000000 ] - [ 0.0000006200000000, 0.0000006300000000, 0.0003537400000000 ] - [ 0.0000013600000000, 0.0000009600000000, -0.0006890000000000 ] - [ 0.0000035200000000, 0.0000008800000000, 0.0007009800000000 ] - [ 0.0000006100000000, 0.0000008700000000, -0.0003723900000000 ] - [ 0.0000015500000000, 0.0000012600000000, 0.0006153400000000 ] - [ -0.0000009900000000, 0.0000008100000000, 0.0003201000000000 ] - [ -0.0000000100000000, 0.0000011000000000, -0.0006135900000000 ] - [ -0.0000012900000000, 0.0000010400000000, -0.0004941500000000 ] - [ 0.0000010200000000, 0.0000012200000000, 0.0002323200000000 ] - [ 0.0000014400000000, 0.0000009800000000, 0.0004547500000000 ] - [ -0.0000016800000000, 0.0000006000000000, 0.0003637100000000 ] - [ 0.0000005000000000, 0.0000009200000000, -0.0006931600000000 ] - [ 0.0000007400000000, 0.0000009000000000, 0.0006918900000000 ] - [ 0.0000035000000000, 0.0000008200000000, -0.0003791100000000 ] - [ 0.0000010900000000, 0.0000012700000000, 0.0006128500000000 ] - [ 0.0000000200000000, 0.0000008000000000, 0.0003155500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0008146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003731600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006413200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003610000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0297641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002093000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010218200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010190300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008267100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001178300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000256000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0608114500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004579200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008265300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007518800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009310300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007911700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000374600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006491900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005561800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003563900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010175600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000434400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009387200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006447600000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109326900000000, -0.0002037700000000, -0.0001531600000000 ] - [ 0.0000007300000000, -0.0000005300000000, 0.0000996600000000 ] - [ -0.0000019300000000, 0.0000004400000000, -0.0002947500000000 ] - [ -0.0000015100000000, 0.0000005000000000, -0.0001767400000000 ] - [ -0.0002778800000000, -0.0000006900000000, -0.0003477600000000 ] - [ -0.0000013300000000, 0.0000000800000000, 0.0002119500000000 ] - [ -0.0000004700000000, -0.0000000300000000, 0.0001590200000000 ] - [ 0.0000002400000000, -0.0000005100000000, -0.0001523500000000 ] - [ 0.0000012800000000, -0.0000005100000000, -0.0004528700000000 ] - [ -0.0000010900000000, -0.0000000400000000, -0.0001593500000000 ] - [ -0.0000014800000000, 0.0000005800000000, -0.0000077600000000 ] - [ -0.0000014400000000, 0.0000004700000000, -0.0000250500000000 ] - [ -0.0000288500000000, -0.0000003300000000, -0.0000781200000000 ] - [ -0.0000017600000000, 0.0000000000000000, -0.0003035800000000 ] - [ -0.0000009600000000, 0.0000004700000000, -0.0000520400000000 ] - [ -0.0126918600000000, 0.0001450400000000, -0.0003689900000000 ] - [ -0.0000458500000000, 0.0000005400000000, -0.0005059200000000 ] - [ 0.0000011200000000, 0.0000002400000000, 0.0002291000000000 ] - [ 0.0000001500000000, 0.0000000400000000, 0.0004726600000000 ] - [ 0.0000014900000000, -0.0000003900000000, 0.0003512000000000 ] - [ -0.0000009100000000, -0.0000000200000000, -0.0006908100000000 ] - [ 0.0008161500000000, 0.0000520500000000, 0.0006820000000000 ] - [ 0.0000011000000000, -0.0000001500000000, -0.0003645000000000 ] - [ 0.0000002000000000, 0.0000002300000000, 0.0006040000000000 ] - [ 0.0012246900000000, 0.0000058500000000, 0.0003213600000000 ] - [ -0.0000003600000000, 0.0000001600000000, -0.0006105300000000 ] - [ -0.0000013600000000, 0.0000001000000000, -0.0004994400000000 ] - [ -0.0000015400000000, 0.0000002300000000, 0.0002191600000000 ] - [ -0.0000008100000000, 0.0000000000000000, 0.0004652900000000 ] - [ -0.0000011200000000, -0.0000003500000000, 0.0003544200000000 ] - [ -0.0000004800000000, -0.0000000200000000, -0.0006878600000000 ] - [ 0.0000005600000000, -0.0000000800000000, 0.0007009300000000 ] - [ -0.0000003300000000, -0.0000001100000000, -0.0003714600000000 ] - [ -0.0000018300000000, 0.0000002800000000, 0.0006158000000000 ] - [ 0.0000000800000000, -0.0000001800000000, 0.0003200800000000 ] - [ -0.0000003300000000, 0.0000001200000000, -0.0006123700000000 ] - [ -0.0000011700000000, 0.0000000700000000, -0.0004930900000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0002325900000000 ] - [ 0.0000004900000000, -0.0000000100000000, 0.0004547400000000 ] - [ 0.0000875000000000, 0.0000002300000000, 0.0003640800000000 ] - [ -0.0000019100000000, -0.0000000500000000, -0.0006919700000000 ] - [ -0.0000003400000000, -0.0000000700000000, 0.0006918400000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0003781800000000 ] - [ 0.0000013900000000, 0.0000002000000000, 0.0006132600000000 ] - [ -0.0000012500000000, -0.0000001600000000, 0.0003155200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0301815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002351100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006326000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004895600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004949000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004301500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427081000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003951000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107524600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007674300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004381900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003287300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005148200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007781000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003215600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0302344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004347000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000426100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001586800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002376400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005478100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001761000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003273600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008604000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095293900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006672900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005396400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001598900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005244700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001482000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000087200000000, -0.0000008500000000, 0.0000876200000000 ] - [ 0.0000014300000000, -0.0000005200000000, 0.0000999700000000 ] - [ -0.0000007200000000, 0.0000004500000000, -0.0002944700000000 ] - [ -0.0001905300000000, 0.0000025800000000, -0.0001754700000000 ] - [ 0.0107436500000000, -0.0002063800000000, -0.0005910100000000 ] - [ 0.0000012300000000, 0.0000000800000000, 0.0002122000000000 ] - [ -0.0000010200000000, -0.0000000200000000, 0.0001592900000000 ] - [ 0.0000009300000000, -0.0000005000000000, -0.0001520800000000 ] - [ 0.0000013000000000, -0.0000005100000000, -0.0004525900000000 ] - [ -0.0000012200000000, -0.0000000300000000, -0.0001590700000000 ] - [ -0.0000012600000000, 0.0000005900000000, -0.0000074900000000 ] - [ -0.0000001800000000, 0.0000004800000000, -0.0000247700000000 ] - [ 0.0000008800000000, -0.0000000700000000, -0.0000777400000000 ] - [ -0.0000004500000000, 0.0000000000000000, -0.0003033200000000 ] - [ -0.0000014400000000, 0.0000004700000000, -0.0000517700000000 ] - [ -0.0000454200000000, 0.0000014600000000, -0.0006181000000000 ] - [ -0.0121482200000000, 0.0001618300000000, -0.0002488700000000 ] - [ 0.0009006800000000, -0.0000110100000000, 0.0002369000000000 ] - [ -0.0000021900000000, 0.0000000100000000, 0.0004723600000000 ] - [ -0.0000004500000000, -0.0000003800000000, 0.0003510300000000 ] - [ 0.0000009200000000, -0.0000000100000000, -0.0006909900000000 ] - [ -0.0000070200000000, -0.0000000900000000, 0.0007053700000000 ] - [ -0.0000729800000000, -0.0000001500000000, -0.0003645000000000 ] - [ 0.0000000200000000, 0.0000002400000000, 0.0006037300000000 ] - [ 0.0008166900000000, 0.0000523500000000, 0.0002849900000000 ] - [ -0.0000013400000000, 0.0000001600000000, -0.0006106800000000 ] - [ -0.0000001000000000, 0.0000001100000000, -0.0004995800000000 ] - [ -0.0000003200000000, 0.0000002300000000, 0.0002188600000000 ] - [ 0.0000007600000000, -0.0000000200000000, 0.0004650000000000 ] - [ -0.0000000800000000, -0.0000003400000000, 0.0003542600000000 ] - [ -0.0000005400000000, -0.0000000100000000, -0.0006880400000000 ] - [ 0.0000005900000000, -0.0000000800000000, 0.0007006100000000 ] - [ -0.0000007800000000, -0.0000001100000000, -0.0003716000000000 ] - [ 0.0000019700000000, 0.0000002800000000, 0.0006155500000000 ] - [ 0.0000005900000000, -0.0000001800000000, 0.0003198000000000 ] - [ -0.0000008300000000, 0.0000001300000000, -0.0006125300000000 ] - [ -0.0000001300000000, 0.0000000600000000, -0.0004932300000000 ] - [ 0.0000005500000000, 0.0000002400000000, 0.0002323000000000 ] - [ -0.0000000600000000, 0.0000000000000000, 0.0004544800000000 ] - [ -0.0000012900000000, -0.0000003700000000, 0.0003642600000000 ] - [ 0.0000000600000000, -0.0000000500000000, -0.0006921300000000 ] - [ -0.0000013500000000, -0.0000000700000000, 0.0006915300000000 ] - [ -0.0000007400000000, -0.0000001400000000, -0.0003783100000000 ] - [ -0.0000000800000000, 0.0000002900000000, 0.0006129900000000 ] - [ -0.0000002500000000, -0.0000001600000000, 0.0003152300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002712900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001773100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004160800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006394300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425340900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005210400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004844800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005464700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000316000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014983900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004372900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001521700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007803600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006617300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000663700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475000000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003000000000, -0.0000003300000000, 0.0000881600000000 ] - [ -0.0000283000000000, -0.0000007100000000, 0.0001002200000000 ] - [ -0.0000012800000000, 0.0000005200000000, -0.0002941600000000 ] - [ 0.0109510000000000, -0.0002029200000000, 0.0000643700000000 ] - [ -0.0000744400000000, -0.0000020700000000, -0.0003533800000000 ] - [ 0.0000008500000000, 0.0000001600000000, 0.0002126600000000 ] - [ -0.0000002300000000, 0.0000000500000000, 0.0001594400000000 ] - [ 0.0000006900000000, -0.0000004300000000, -0.0001517800000000 ] - [ 0.0000018500000000, -0.0000004200000000, -0.0004523300000000 ] - [ 0.0000002000000000, 0.0000000400000000, -0.0001589200000000 ] - [ -0.0000001700000000, 0.0000006600000000, -0.0000070400000000 ] - [ -0.0000013300000000, 0.0000005500000000, -0.0000246200000000 ] - [ 0.0000002300000000, 0.0000000000000000, -0.0000774300000000 ] - [ 0.0000008800000000, 0.0000000800000000, -0.0003030600000000 ] - [ -0.0000004300000000, 0.0000005400000000, -0.0000516400000000 ] - [ 0.0000013400000000, 0.0000002100000000, -0.0006186000000000 ] - [ 0.0009008300000000, 0.0000089100000000, -0.0005206600000000 ] - [ -0.0127552100000000, 0.0001412600000000, -0.0000169500000000 ] - [ 0.0000906300000000, 0.0000007400000000, 0.0004732100000000 ] - [ 0.0000002900000000, -0.0000003100000000, 0.0003507300000000 ] - [ 0.0000000300000000, -0.0000000300000000, -0.0006917400000000 ] - [ -0.0000009500000000, 0.0000000500000000, 0.0007060600000000 ] - [ 0.0008225900000000, 0.0000520100000000, -0.0003419600000000 ] - [ 0.0000021000000000, 0.0000003100000000, 0.0006038500000000 ] - [ 0.0000885000000000, -0.0000002900000000, 0.0003083400000000 ] - [ 0.0000001300000000, 0.0000002400000000, -0.0006114700000000 ] - [ 0.0000004900000000, 0.0000001800000000, -0.0005002100000000 ] - [ -0.0000000700000000, 0.0000003100000000, 0.0002191600000000 ] - [ 0.0000021400000000, 0.0000000600000000, 0.0004655100000000 ] - [ -0.0000008100000000, -0.0000002600000000, 0.0003539800000000 ] - [ 0.0000005500000000, 0.0000000500000000, -0.0006887300000000 ] - [ -0.0000002000000000, -0.0000000100000000, 0.0007012900000000 ] - [ 0.0000003400000000, -0.0000000300000000, -0.0003721300000000 ] - [ -0.0000000100000000, 0.0000003600000000, 0.0006156500000000 ] - [ 0.0000017900000000, -0.0000001000000000, 0.0003204100000000 ] - [ -0.0000012000000000, 0.0000001900000000, -0.0006133200000000 ] - [ -0.0000002200000000, 0.0000001400000000, -0.0004939100000000 ] - [ 0.0000001000000000, 0.0000003200000000, 0.0002326000000000 ] - [ -0.0000007200000000, 0.0000000700000000, 0.0004550300000000 ] - [ 0.0000003300000000, -0.0000003100000000, 0.0003639200000000 ] - [ -0.0000008000000000, 0.0000000200000000, -0.0006928900000000 ] - [ 0.0000000900000000, 0.0000000000000000, 0.0006921900000000 ] - [ -0.0000008900000000, -0.0000000800000000, -0.0003788600000000 ] - [ 0.0000003300000000, 0.0000003700000000, 0.0006131500000000 ] - [ -0.0000007300000000, -0.0000000900000000, 0.0003158500000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002444200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006265900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003371200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004096000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003813900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006759800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002051300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007801800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004813100000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003389500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005431000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004909500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001810000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001715900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423600200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002692000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005400600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104068300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004377200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001040900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007783300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000549200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002993500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005391900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001532000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007795100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006602500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002907600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001504800000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011100000000, -0.0000005300000000, 0.0000880400000000 ] - [ 0.0109524800000000, 0.0002028900000000, 0.0003408400000000 ] - [ -0.0000300500000000, 0.0000005600000000, -0.0002940400000000 ] - [ -0.0000755600000000, 0.0000019700000000, -0.0001791500000000 ] - [ 0.0000016900000000, -0.0000006700000000, -0.0003502800000000 ] - [ -0.0000001900000000, -0.0000000400000000, 0.0002125400000000 ] - [ -0.0000003800000000, -0.0000001400000000, 0.0001596000000000 ] - [ 0.0000005600000000, -0.0000006300000000, -0.0001517600000000 ] - [ 0.0000009500000000, -0.0000006200000000, -0.0004522900000000 ] - [ 0.0000008100000000, -0.0000001600000000, -0.0001587600000000 ] - [ -0.0000009400000000, 0.0000004700000000, -0.0000071800000000 ] - [ -0.0000019400000000, 0.0000003600000000, -0.0000244700000000 ] - [ -0.0000007100000000, -0.0000001900000000, -0.0000774200000000 ] - [ 0.0000006200000000, -0.0000001200000000, -0.0003030100000000 ] - [ -0.0000017100000000, 0.0000003500000000, -0.0000514700000000 ] - [ 0.0000001600000000, 0.0000000400000000, -0.0006178900000000 ] - [ -0.0000024300000000, 0.0000000000000000, -0.0005067500000000 ] - [ 0.0000906300000000, 0.0000003200000000, 0.0002280700000000 ] - [ -0.0127433700000000, -0.0001389400000000, 0.0002244800000000 ] - [ 0.0000015900000000, -0.0000004000000000, 0.0003510700000000 ] - [ 0.0008228600000000, -0.0000522500000000, -0.0006678400000000 ] - [ -0.0000002200000000, -0.0000001500000000, 0.0007053400000000 ] - [ 0.0008919000000000, -0.0000089600000000, -0.0003779600000000 ] - [ 0.0000902000000000, -0.0000005000000000, 0.0006039100000000 ] - [ 0.0000020400000000, -0.0000002300000000, 0.0003084400000000 ] - [ 0.0000004000000000, 0.0000000500000000, -0.0006107400000000 ] - [ -0.0000003700000000, -0.0000000100000000, -0.0004996600000000 ] - [ -0.0000010300000000, 0.0000001200000000, 0.0002188300000000 ] - [ 0.0000003000000000, -0.0000001300000000, 0.0004649900000000 ] - [ -0.0000015000000000, -0.0000004600000000, 0.0003543200000000 ] - [ -0.0000004900000000, -0.0000001300000000, -0.0006881100000000 ] - [ -0.0000012600000000, -0.0000002100000000, 0.0007005800000000 ] - [ -0.0000009900000000, -0.0000002300000000, -0.0003716700000000 ] - [ -0.0000008300000000, 0.0000001700000000, 0.0006154200000000 ] - [ 0.0000005900000000, -0.0000002900000000, 0.0003197800000000 ] - [ -0.0000008200000000, -0.0000000100000000, -0.0006125900000000 ] - [ 0.0000004900000000, -0.0000000600000000, -0.0004932900000000 ] - [ 0.0000015700000000, 0.0000001200000000, 0.0002322900000000 ] - [ 0.0000003600000000, -0.0000001200000000, 0.0004544800000000 ] - [ 0.0000005500000000, -0.0000005000000000, 0.0003642900000000 ] - [ 0.0000004800000000, -0.0000001700000000, -0.0006922300000000 ] - [ 0.0000002900000000, -0.0000001900000000, 0.0006915000000000 ] - [ 0.0000003900000000, -0.0000002700000000, -0.0003783900000000 ] - [ 0.0000017000000000, 0.0000001700000000, 0.0006128600000000 ] - [ 0.0000000400000000, -0.0000002800000000, 0.0003152400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006426100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001714900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005092400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008720700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003335500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005288600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008573700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004809400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004189700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000542700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000195500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001212700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001719800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003079000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006670700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005352500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005393200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000670200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002909500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001989100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008599500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005461200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001508400000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009800000000, -0.0000004200000000, 0.0000874000000000 ] - [ 0.0000225200000000, -0.0000004200000000, 0.0000995700000000 ] - [ 0.0109398200000000, 0.0002035600000000, -0.0005350000000000 ] - [ -0.0000012200000000, 0.0000005100000000, -0.0001767900000000 ] - [ 0.0000015500000000, -0.0000005500000000, -0.0003509000000000 ] - [ -0.0000742900000000, 0.0000016500000000, 0.0002148000000000 ] - [ 0.0000012000000000, -0.0000000200000000, 0.0001589600000000 ] - [ 0.0000015600000000, -0.0000005100000000, -0.0001524000000000 ] - [ 0.0000010000000000, -0.0000005000000000, -0.0004529300000000 ] - [ -0.0000012900000000, -0.0000000300000000, -0.0001593800000000 ] - [ -0.0000004800000000, 0.0000005900000000, -0.0000078200000000 ] - [ -0.0000012800000000, 0.0000004800000000, -0.0000250900000000 ] - [ 0.0000008500000000, -0.0000000700000000, -0.0000780600000000 ] - [ -0.0000002200000000, 0.0000000000000000, -0.0003036400000000 ] - [ -0.0000003200000000, 0.0000004700000000, -0.0000521000000000 ] - [ 0.0000014000000000, 0.0000001600000000, -0.0006176400000000 ] - [ -0.0000007000000000, 0.0000001100000000, -0.0005065700000000 ] - [ 0.0000001400000000, 0.0000002000000000, 0.0002289900000000 ] - [ 0.0000016200000000, -0.0000001000000000, 0.0004725400000000 ] - [ -0.0127296400000000, -0.0001446300000000, 0.0006008500000000 ] - [ -0.0000710200000000, -0.0000008500000000, -0.0006910800000000 ] - [ 0.0000007200000000, -0.0000000300000000, 0.0007054900000000 ] - [ 0.0000014300000000, -0.0000001500000000, -0.0003644800000000 ] - [ 0.0009291000000000, -0.0000509000000000, 0.0005808100000000 ] - [ 0.0000002400000000, -0.0000001100000000, 0.0003085700000000 ] - [ 0.0000876900000000, 0.0000004000000000, -0.0006097400000000 ] - [ -0.0000013500000000, 0.0000001000000000, -0.0004994100000000 ] - [ 0.0000000900000000, 0.0000002300000000, 0.0002190000000000 ] - [ 0.0000007200000000, -0.0000000100000000, 0.0004651600000000 ] - [ 0.0000000500000000, -0.0000003400000000, 0.0003544600000000 ] - [ -0.0000014200000000, -0.0000000200000000, -0.0006878700000000 ] - [ 0.0008955700000000, -0.0000087300000000, 0.0007139700000000 ] - [ 0.0000003900000000, -0.0000001000000000, -0.0003714200000000 ] - [ -0.0000012200000000, 0.0000002900000000, 0.0006156800000000 ] - [ 0.0000014800000000, -0.0000001500000000, 0.0003199000000000 ] - [ -0.0000010400000000, 0.0000001300000000, -0.0006123400000000 ] - [ -0.0000003400000000, 0.0000000600000000, -0.0004930500000000 ] - [ -0.0000009800000000, 0.0000002300000000, 0.0002324400000000 ] - [ -0.0000013200000000, 0.0000000000000000, 0.0004546200000000 ] - [ -0.0000000500000000, -0.0000003800000000, 0.0003644500000000 ] - [ -0.0000010600000000, -0.0000000400000000, -0.0006919700000000 ] - [ 0.0000000100000000, -0.0000000700000000, 0.0006916700000000 ] - [ 0.0000001200000000, -0.0000001500000000, -0.0003781400000000 ] - [ 0.0000000700000000, 0.0000002900000000, 0.0006131100000000 ] - [ -0.0000011000000000, -0.0000001600000000, 0.0003154000000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002451600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005091300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004930300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003903000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0417999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004696100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005236100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005155400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007772300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003923400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007747900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004782200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004185400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004434400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001210100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000638100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0428734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005341700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001412200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006663300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008554200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004501400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007787900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002898400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001486900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000012400000000, -0.0000004300000000, 0.0000877700000000 ] - [ 0.0107356900000000, -0.0002062000000000, -0.0001402700000000 ] - [ -0.0001892700000000, 0.0000025000000000, -0.0002934500000000 ] - [ 0.0000209400000000, 0.0000004100000000, -0.0001764800000000 ] - [ 0.0000001700000000, -0.0000005500000000, -0.0003505000000000 ] - [ -0.0000008400000000, 0.0000000700000000, 0.0002122400000000 ] - [ -0.0000014600000000, -0.0000000300000000, 0.0001593800000000 ] - [ 0.0000009900000000, -0.0000005100000000, -0.0001520000000000 ] - [ 0.0000000600000000, -0.0000005000000000, -0.0004525200000000 ] - [ -0.0000004400000000, -0.0000000500000000, -0.0001590000000000 ] - [ -0.0000004800000000, 0.0000005900000000, -0.0000074500000000 ] - [ -0.0000016700000000, 0.0000004700000000, -0.0000246800000000 ] - [ -0.0000006300000000, -0.0000000800000000, -0.0000776500000000 ] - [ 0.0000002800000000, 0.0000000000000000, -0.0003032400000000 ] - [ -0.0000010300000000, 0.0000004600000000, -0.0000517000000000 ] - [ -0.0000008600000000, 0.0000001500000000, -0.0006176900000000 ] - [ 0.0000009300000000, 0.0000001100000000, -0.0005066400000000 ] - [ -0.0000000400000000, 0.0000003500000000, 0.0002288900000000 ] - [ 0.0008230400000000, 0.0000523600000000, 0.0004491600000000 ] - [ -0.0000711500000000, -0.0000004600000000, 0.0003513500000000 ] - [ -0.0121256700000000, 0.0001618000000000, -0.0004362300000000 ] - [ 0.0000001700000000, -0.0000000300000000, 0.0007053500000000 ] - [ -0.0000724200000000, 0.0000006200000000, -0.0003648900000000 ] - [ 0.0008912400000000, -0.0000108800000000, 0.0006117300000000 ] - [ 0.0000000600000000, -0.0000001200000000, 0.0003084700000000 ] - [ -0.0000018100000000, 0.0000001600000000, -0.0006105400000000 ] - [ -0.0000001600000000, 0.0000001000000000, -0.0004994700000000 ] - [ -0.0000010600000000, 0.0000002300000000, 0.0002188800000000 ] - [ 0.0000004800000000, -0.0000000200000000, 0.0004650400000000 ] - [ -0.0000011300000000, -0.0000003500000000, 0.0003544300000000 ] - [ -0.0000003800000000, -0.0000000100000000, -0.0006879600000000 ] - [ -0.0000009000000000, -0.0000000500000000, 0.0007005800000000 ] - [ -0.0000013200000000, -0.0000001100000000, -0.0003715000000000 ] - [ -0.0000004900000000, 0.0000002800000000, 0.0006155400000000 ] - [ -0.0000001000000000, -0.0000001800000000, 0.0003198300000000 ] - [ -0.0000004900000000, 0.0000001200000000, -0.0006123900000000 ] - [ -0.0000004200000000, 0.0000000600000000, -0.0004931100000000 ] - [ 0.0000004800000000, 0.0000002400000000, 0.0002323400000000 ] - [ -0.0000003400000000, 0.0000000000000000, 0.0004545200000000 ] - [ -0.0000010700000000, -0.0000003800000000, 0.0003644000000000 ] - [ -0.0000004000000000, -0.0000000500000000, -0.0006920800000000 ] - [ -0.0000012500000000, -0.0000000700000000, 0.0006915300000000 ] - [ -0.0000008200000000, -0.0000001500000000, -0.0003782200000000 ] - [ 0.0000003600000000, 0.0000002900000000, 0.0006129700000000 ] - [ 0.0000019700000000, -0.0000001600000000, 0.0003152700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004900500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003439700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003621000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003901000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427008600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005189900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007829100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003995500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004851100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001701400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005481300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001763400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0416768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005378900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007801600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008576100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004491800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007810300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001473600000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0107505500000000, 0.0002054100000000, 0.0003284500000000 ] - [ 0.0000015500000000, -0.0000006400000000, 0.0000998200000000 ] - [ -0.0000011600000000, 0.0000003200000000, -0.0002944400000000 ] - [ 0.0000001300000000, 0.0000004000000000, -0.0001764700000000 ] - [ 0.0000088100000000, -0.0000002300000000, -0.0003505900000000 ] - [ -0.0000003700000000, -0.0000000400000000, 0.0002123800000000 ] - [ 0.0000006800000000, -0.0000001500000000, 0.0001591500000000 ] - [ 0.0000013700000000, -0.0000006200000000, -0.0001520700000000 ] - [ 0.0000012000000000, -0.0000006200000000, -0.0004526200000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0001592000000000 ] - [ -0.0000018600000000, 0.0000004700000000, -0.0000073100000000 ] - [ -0.0000013600000000, 0.0000003700000000, -0.0000249200000000 ] - [ -0.0001887100000000, -0.0000022600000000, -0.0000787100000000 ] - [ 0.0000003500000000, -0.0000001200000000, -0.0003033400000000 ] - [ 0.0000005300000000, 0.0000003500000000, -0.0000519200000000 ] - [ 0.0008163200000000, -0.0000524100000000, -0.0005950400000000 ] - [ -0.0000071800000000, 0.0000000500000000, -0.0005072000000000 ] - [ -0.0000011900000000, 0.0000000700000000, 0.0002293400000000 ] - [ -0.0000001900000000, -0.0000000800000000, 0.0004731300000000 ] - [ 0.0000008500000000, -0.0000005000000000, 0.0003509300000000 ] - [ 0.0000001600000000, -0.0000001300000000, -0.0006915400000000 ] - [ -0.0121562400000000, -0.0001565200000000, 0.0004505100000000 ] - [ 0.0000003600000000, -0.0000002700000000, -0.0003650000000000 ] - [ -0.0000007300000000, 0.0000001200000000, 0.0006040400000000 ] - [ -0.0000448300000000, -0.0000015600000000, 0.0003095900000000 ] - [ -0.0000003600000000, 0.0000000400000000, -0.0006112800000000 ] - [ -0.0000015900000000, -0.0000000100000000, -0.0005000100000000 ] - [ 0.0000000300000000, 0.0000001200000000, 0.0002193500000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004657200000000 ] - [ -0.0000000900000000, -0.0000004600000000, 0.0003541800000000 ] - [ -0.0000013500000000, -0.0000001300000000, -0.0006885400000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0007015000000000 ] - [ 0.0000022900000000, -0.0000002300000000, -0.0003719300000000 ] - [ -0.0000007700000000, 0.0000001700000000, 0.0006158400000000 ] - [ -0.0000004400000000, -0.0000003000000000, 0.0003206000000000 ] - [ 0.0000005500000000, 0.0000000000000000, -0.0006131200000000 ] - [ 0.0000004300000000, -0.0000000600000000, -0.0004937100000000 ] - [ -0.0000004300000000, 0.0000001200000000, 0.0002328100000000 ] - [ -0.0000010900000000, -0.0000001100000000, 0.0004552300000000 ] - [ 0.0008953500000000, 0.0000106400000000, 0.0003561000000000 ] - [ -0.0000009100000000, -0.0000002100000000, -0.0006926800000000 ] - [ 0.0000004700000000, -0.0000001900000000, 0.0006923900000000 ] - [ 0.0000003500000000, -0.0000002800000000, -0.0003786600000000 ] - [ -0.0000709400000000, 0.0000002400000000, 0.0006131700000000 ] - [ -0.0000008800000000, -0.0000002700000000, 0.0003160500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0303663800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003432400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096238400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006332100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0416848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003281900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004395000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005152800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008532100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008232400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004783300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0299644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001594300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005474800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001182000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003105800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106686100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000634300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0427269900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004376200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000536000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008567800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005412900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001533400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007807100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000661400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008635100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001481300000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003600000000, -0.0000004100000000, 0.0000874800000000 ] - [ -0.0001868700000000, -0.0000025700000000, 0.0001014700000000 ] - [ -0.0000002600000000, 0.0000004400000000, -0.0002944000000000 ] - [ 0.0107330400000000, 0.0002061600000000, -0.0004165300000000 ] - [ 0.0000229900000000, -0.0000004500000000, -0.0003504800000000 ] - [ -0.0000001700000000, 0.0000000700000000, 0.0002119700000000 ] - [ -0.0000009100000000, -0.0000000200000000, 0.0001598500000000 ] - [ 0.0000013600000000, -0.0000005100000000, -0.0001520600000000 ] - [ 0.0000016300000000, -0.0000005000000000, -0.0004523200000000 ] - [ 0.0000012100000000, -0.0000000300000000, -0.0001588800000000 ] - [ -0.0000007200000000, 0.0000005900000000, -0.0000077100000000 ] - [ -0.0000009100000000, 0.0000004800000000, -0.0000241400000000 ] - [ -0.0000015900000000, -0.0000000700000000, -0.0000777500000000 ] - [ 0.0000008400000000, 0.0000000000000000, -0.0003030300000000 ] - [ -0.0000011400000000, 0.0000004700000000, -0.0000515200000000 ] - [ 0.0000011400000000, 0.0000001600000000, -0.0006149300000000 ] - [ -0.0000731500000000, -0.0000006900000000, -0.0005049000000000 ] - [ 0.0008223800000000, -0.0000521100000000, 0.0002042500000000 ] - [ 0.0008915800000000, 0.0000111900000000, 0.0004778600000000 ] - [ 0.0000011300000000, -0.0000003800000000, 0.0003523400000000 ] - [ -0.0000728300000000, -0.0000000400000000, -0.0006879600000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0007023300000000 ] - [ -0.0121313900000000, -0.0001617700000000, -0.0001107100000000 ] - [ -0.0000023000000000, 0.0000002800000000, 0.0006023900000000 ] - [ 0.0000005800000000, -0.0000002600000000, 0.0003064700000000 ] - [ 0.0000000500000000, 0.0000001700000000, -0.0006077600000000 ] - [ -0.0000012600000000, 0.0000001000000000, -0.0004974000000000 ] - [ -0.0000013000000000, 0.0000002400000000, 0.0002173900000000 ] - [ 0.0000003000000000, -0.0000000100000000, 0.0004624500000000 ] - [ -0.0000002600000000, -0.0000003600000000, 0.0003557100000000 ] - [ -0.0000010400000000, -0.0000000100000000, -0.0006850500000000 ] - [ 0.0000002400000000, -0.0000000800000000, 0.0006974800000000 ] - [ 0.0000000500000000, -0.0000001000000000, -0.0003695400000000 ] - [ -0.0000013500000000, 0.0000003000000000, 0.0006140800000000 ] - [ 0.0000006000000000, -0.0000001800000000, 0.0003178000000000 ] - [ -0.0000001200000000, 0.0000001200000000, -0.0006095500000000 ] - [ -0.0000010600000000, 0.0000000700000000, -0.0004909500000000 ] - [ 0.0000000400000000, 0.0000002300000000, 0.0002309800000000 ] - [ -0.0000009700000000, 0.0000000000000000, 0.0004520600000000 ] - [ 0.0000003000000000, -0.0000004000000000, 0.0003655600000000 ] - [ -0.0000012200000000, -0.0000000400000000, -0.0006893200000000 ] - [ 0.0000022500000000, -0.0000000700000000, 0.0006884200000000 ] - [ 0.0000000200000000, -0.0000001400000000, -0.0003763000000000 ] - [ 0.0000001200000000, 0.0000003200000000, 0.0006116700000000 ] - [ -0.0000014400000000, -0.0000001500000000, 0.0003131500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000040500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006975400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004900500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007885800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004477100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102716200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022314500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005206000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008755100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423923200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007709600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003309000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005195300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008706600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003250300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004849300000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000415700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002603400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007880800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009099900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005374500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001460200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007793100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006613000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005225900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001478500000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000022600000000, -0.0000003300000000, 0.0000880600000000 ] - [ -0.0000731600000000, -0.0000020200000000, 0.0000973700000000 ] - [ 0.0109412400000000, -0.0002026200000000, -0.0000538900000000 ] - [ -0.0000000400000000, 0.0000005900000000, -0.0001761700000000 ] - [ 0.0000008000000000, -0.0000004700000000, -0.0003502700000000 ] - [ 0.0000219300000000, 0.0000000500000000, 0.0002126200000000 ] - [ 0.0000002000000000, 0.0000000600000000, 0.0001596000000000 ] - [ 0.0000017700000000, -0.0000004200000000, -0.0001517500000000 ] - [ -0.0000005500000000, -0.0000004200000000, -0.0004522800000000 ] - [ -0.0000004900000000, 0.0000000400000000, -0.0001587600000000 ] - [ -0.0000010800000000, 0.0000006700000000, -0.0000071700000000 ] - [ -0.0000004100000000, 0.0000005500000000, -0.0000244600000000 ] - [ 0.0000009200000000, 0.0000000100000000, -0.0000774100000000 ] - [ 0.0000006100000000, 0.0000000800000000, -0.0003030100000000 ] - [ -0.0000007600000000, 0.0000005400000000, -0.0000514600000000 ] - [ 0.0000004600000000, 0.0000002400000000, -0.0006178900000000 ] - [ 0.0000000500000000, 0.0000001800000000, -0.0005068100000000 ] - [ 0.0000019600000000, 0.0000002800000000, 0.0002288500000000 ] - [ 0.0000905800000000, -0.0000001100000000, 0.0004716000000000 ] - [ 0.0009292600000000, 0.0000508400000000, 0.0003741100000000 ] - [ 0.0008915500000000, 0.0000086900000000, -0.0007042900000000 ] - [ -0.0000008900000000, 0.0000000600000000, 0.0007053300000000 ] - [ -0.0000020000000000, -0.0000000900000000, -0.0003646600000000 ] - [ -0.0127381000000000, 0.0001411300000000, 0.0003562300000000 ] - [ 0.0000005200000000, -0.0000000400000000, 0.0003084300000000 ] - [ 0.0000016500000000, 0.0000003900000000, -0.0006107700000000 ] - [ -0.0000001100000000, 0.0000001900000000, -0.0004996500000000 ] - [ 0.0000002200000000, 0.0000003100000000, 0.0002188200000000 ] - [ 0.0000019200000000, 0.0000000700000000, 0.0004650100000000 ] - [ 0.0000002400000000, -0.0000002700000000, 0.0003543100000000 ] - [ 0.0000004600000000, 0.0000000700000000, -0.0006881100000000 ] - [ -0.0000704800000000, 0.0000008200000000, 0.0007008200000000 ] - [ 0.0000004000000000, -0.0000000300000000, -0.0003716700000000 ] - [ -0.0000000100000000, 0.0000003600000000, 0.0006154300000000 ] - [ 0.0000016700000000, -0.0000000900000000, 0.0003197700000000 ] - [ -0.0000015000000000, 0.0000002000000000, -0.0006125800000000 ] - [ 0.0000020600000000, 0.0000001400000000, -0.0004932900000000 ] - [ -0.0000002200000000, 0.0000003200000000, 0.0002322800000000 ] - [ -0.0000006000000000, 0.0000000700000000, 0.0004544800000000 ] - [ -0.0000010000000000, -0.0000003000000000, 0.0003642900000000 ] - [ -0.0000002500000000, 0.0000000300000000, -0.0006922300000000 ] - [ -0.0000005300000000, 0.0000000000000000, 0.0006915000000000 ] - [ -0.0000009500000000, -0.0000000700000000, -0.0003783900000000 ] - [ 0.0000001500000000, 0.0000003700000000, 0.0006128700000000 ] - [ 0.0000002300000000, -0.0000000800000000, 0.0003152300000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002430800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003381300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008723000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004753800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003335700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003834900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009161000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007804200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004883700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008579000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004820600000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002788700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006736300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000625200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002662800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096949500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024628000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0427672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001419600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002988700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002901400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001488400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002773300000000, -0.0000003500000000, 0.0000851300000000 ] - [ 0.0000003700000000, -0.0000006100000000, 0.0001001600000000 ] - [ -0.0000024200000000, 0.0000003700000000, -0.0002941100000000 ] - [ -0.0000294700000000, 0.0000006700000000, -0.0001760200000000 ] - [ 0.0109506200000000, 0.0002029700000000, -0.0001095400000000 ] - [ 0.0000002200000000, 0.0000000000000000, 0.0002127000000000 ] - [ 0.0000002500000000, -0.0000001000000000, 0.0001595000000000 ] - [ 0.0000014500000000, -0.0000005800000000, -0.0001517300000000 ] - [ 0.0000006200000000, -0.0000005800000000, -0.0004522900000000 ] - [ -0.0000003900000000, -0.0000001100000000, -0.0001588700000000 ] - [ -0.0000016100000000, 0.0000005100000000, -0.0000069900000000 ] - [ -0.0000009700000000, 0.0000003900000000, -0.0000245600000000 ] - [ -0.0000003200000000, -0.0000001400000000, -0.0000774000000000 ] - [ -0.0000007600000000, -0.0000000700000000, -0.0003030000000000 ] - [ -0.0000019700000000, 0.0000003900000000, -0.0000515900000000 ] - [ 0.0012247600000000, -0.0000058900000000, -0.0006312500000000 ] - [ 0.0008164200000000, -0.0000520800000000, -0.0004836400000000 ] - [ 0.0000882000000000, -0.0000005000000000, 0.0002294900000000 ] - [ 0.0000022600000000, -0.0000000300000000, 0.0004729500000000 ] - [ 0.0000004000000000, -0.0000004600000000, 0.0003507700000000 ] - [ -0.0000000300000000, -0.0000000900000000, -0.0006916900000000 ] - [ -0.0000450300000000, -0.0000005600000000, 0.0007054000000000 ] - [ 0.0000007700000000, -0.0000001400000000, -0.0003651500000000 ] - [ 0.0000004000000000, 0.0000001700000000, 0.0006038900000000 ] - [ -0.0127281400000000, -0.0001416300000000, 0.0000597800000000 ] - [ -0.0000012700000000, 0.0000000900000000, -0.0006114300000000 ] - [ -0.0000004700000000, 0.0000000300000000, -0.0005001600000000 ] - [ -0.0000009100000000, 0.0000001700000000, 0.0002191900000000 ] - [ 0.0000002800000000, -0.0000000800000000, 0.0004655400000000 ] - [ -0.0000011900000000, -0.0000004200000000, 0.0003540100000000 ] - [ 0.0000018700000000, -0.0000000900000000, -0.0006886800000000 ] - [ -0.0000005700000000, -0.0000001700000000, 0.0007013200000000 ] - [ -0.0000014100000000, -0.0000001800000000, -0.0003720800000000 ] - [ -0.0000002100000000, 0.0000002100000000, 0.0006157000000000 ] - [ 0.0000001700000000, -0.0000002500000000, 0.0003204400000000 ] - [ 0.0000001400000000, 0.0000000500000000, -0.0006132700000000 ] - [ 0.0000005100000000, -0.0000000100000000, -0.0004938500000000 ] - [ 0.0000016300000000, 0.0000001700000000, 0.0002326300000000 ] - [ 0.0000005000000000, -0.0000000800000000, 0.0004550600000000 ] - [ 0.0000014100000000, -0.0000004900000000, 0.0003640100000000 ] - [ -0.0000001700000000, -0.0000001300000000, -0.0006928500000000 ] - [ -0.0000006800000000, -0.0000001400000000, 0.0006922100000000 ] - [ 0.0000006400000000, -0.0000002300000000, -0.0003788200000000 ] - [ 0.0000012300000000, 0.0000002200000000, 0.0006131900000000 ] - [ 0.0000002100000000, -0.0000002400000000, 0.0003158900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006378600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006401800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005229900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009122600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007700600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006308000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008686300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002039500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007809600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004834000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000427600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001742600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304555700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005463500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001754900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004967300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005285000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007795500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002995500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007811800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008610700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001474500000000 ]