# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0a183a13-d67e-4f24-a5a5-a649511051c0/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 ZnS / P3m1 (156) / materials id 555311](https://mdr.nims.go.jp/datasets/deb717db-4b81-4494-99b5-1ae3b5856a7f) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.785804550000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892902260000000, 3.278602910000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 80.438023150000006 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.807672490000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.115381620000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.461570020000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.653833900000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230761210000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961574020000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.884665360000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.038501010000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192264100000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.076942830000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769251130000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692262760000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.423067910000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.846161310000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.576977170000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538474340000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000077200000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307697870000000 ] mass: 65.380000 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.153827200000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269266890000000 ] mass: 65.380000 - symbol: Zn # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.923085220000000 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.615396130000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499989080000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.384576160000000 ] mass: 65.380000 - symbol: Zn # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.346139050000000 ] mass: 65.380000 - symbol: Zn # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730752050000000 ] mass: 65.380000 - symbol: S # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.759626760000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.028889470000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721083820000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.798063580000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.336524240000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.221088410000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.836493570000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.067327120000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.913476850000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.451943630000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.105768700000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.875037440000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.298082100000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.605787660000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.951905990000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.490381380000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.682656770000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374964800000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.182652980000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.990449760000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.259638820000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.413398690000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144209560000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.528808780000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.567350330000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644220800000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.264144645290788, 0.152503981044118, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.305007964505223, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.012431931577125 ] # c*unit_cell: lattice: - [ 3.785804550000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892902260000000, 3.278602910000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 80.438023150000006 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.807672490000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.115381620000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.461570020000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.653833900000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230761210000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961574020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.884665360000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.038501010000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192264100000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.076942830000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769251130000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692262760000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.423067910000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.846161310000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.576977170000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538474340000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000077200000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307697870000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.153827200000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269266890000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.923085220000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.615396130000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499989080000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.384576160000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.346139050000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730752050000000 ] mass: 65.380000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.759626760000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.028889470000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721083820000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.798063580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.336524240000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.221088410000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.836493570000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.067327120000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.913476850000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.451943630000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.105768700000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.875037440000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.298082100000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.605787660000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.951905990000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.490381380000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.682656770000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374964800000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.182652980000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.990449760000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.259638820000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.413398690000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144209560000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.528808780000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.567350330000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644220800000000 ] mass: 32.065000 reduced_to: 52supercell: lattice: - [ 3.785804550000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892902260000000, 3.278602910000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 80.438023150000006 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.807672490000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.115381620000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.461570020000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.653833900000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230761210000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961574020000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.884665360000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.038501010000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192264100000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.076942830000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769251130000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692262760000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.423067910000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.846161310000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.576977170000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538474340000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000077200000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307697870000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.153827200000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269266890000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.923085220000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.615396130000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499989080000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.384576160000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.346139050000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730752050000000 ] mass: 65.380000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.759626760000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.028889470000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721083820000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.798063580000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.336524240000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.221088410000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.836493570000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.067327120000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.913476850000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.451943630000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.105768700000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.875037440000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.298082100000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.605787660000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.951905990000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.490381380000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.682656770000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374964800000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.182652980000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.990449760000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.259638820000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.413398690000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.144209560000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.528808780000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.567350330000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.644220800000000 ] mass: 32.065000 reduced_to: 52displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0616924700000000, 0.0009959400000000, 0.0009580400000000 ] - [ 0.0000169300000000, -0.0000093100000000, 0.0002267900000000 ] - [ 0.0000158800000000, -0.0000099200000000, -0.0002819400000000 ] - [ -0.0000165000000000, 0.0000081800000000, -0.0002423900000000 ] - [ 0.0000177100000000, -0.0000099200000000, -0.0002405000000000 ] - [ -0.0000136800000000, 0.0000078400000000, -0.0001720000000000 ] - [ 0.0000448300000000, 0.0000072500000000, -0.0001330900000000 ] - [ 0.0000167100000000, -0.0000090400000000, 0.0003314000000000 ] - [ 0.0000170200000000, -0.0000087500000000, -0.0000210800000000 ] - [ 0.0000175800000000, -0.0000098900000000, 0.0002831000000000 ] - [ -0.0001644900000000, -0.0000049200000000, 0.0001400600000000 ] - [ -0.0000170000000000, 0.0000083300000000, -0.0000304100000000 ] - [ -0.0000139200000000, 0.0000083300000000, -0.0003529800000000 ] - [ -0.0001533300000000, -0.0000016100000000, 0.0000244900000000 ] - [ -0.0000142600000000, 0.0000083500000000, -0.0003354200000000 ] - [ 0.0000168300000000, -0.0000088600000000, 0.0000118100000000 ] - [ 0.0000174900000000, -0.0000103300000000, 0.0000360800000000 ] - [ -0.0000140700000000, 0.0000081200000000, 0.0001861600000000 ] - [ 0.0000164000000000, -0.0000101600000000, -0.0003073600000000 ] - [ -0.0000134600000000, 0.0000078600000000, 0.0000320600000000 ] - [ -0.0000177100000000, 0.0000089600000000, 0.0000238100000000 ] - [ -0.0000132000000000, 0.0000079700000000, -0.0000615400000000 ] - [ 0.0000188800000000, -0.0000094600000000, -0.0000624200000000 ] - [ -0.0000126900000000, 0.0000081000000000, -0.0002690700000000 ] - [ -0.0000137900000000, 0.0000082100000000, -0.0000581200000000 ] - [ -0.0001525300000000, 0.0000079200000000, -0.0001005300000000 ] - [ -0.0008740500000000, 0.0000027200000000, 0.0000456300000000 ] - [ -0.0000039100000000, 0.0000029900000000, 0.0003765900000000 ] - [ -0.0000301500000000, -0.0000033800000000, 0.0002201300000000 ] - [ 0.0608535000000000, -0.0009961400000000, -0.0004580200000000 ] - [ 0.0000079000000000, -0.0000035000000000, -0.0002938800000000 ] - [ -0.0000034800000000, 0.0000032500000000, 0.0000897400000000 ] - [ 0.0017738800000000, 0.0000118200000000, -0.0001271500000000 ] - [ -0.0000031000000000, 0.0000028200000000, 0.0004494900000000 ] - [ 0.0000178700000000, -0.0000038600000000, 0.0001612000000000 ] - [ -0.0000038900000000, 0.0000029600000000, 0.0000241200000000 ] - [ -0.0000038500000000, 0.0000032100000000, -0.0004520400000000 ] - [ 0.0003301600000000, -0.0000043300000000, 0.0004750100000000 ] - [ 0.0000075800000000, -0.0000036500000000, 0.0002466200000000 ] - [ 0.0000079500000000, -0.0000037800000000, -0.0000100700000000 ] - [ 0.0000086200000000, -0.0000034700000000, 0.0001379200000000 ] - [ -0.0000041800000000, 0.0000028500000000, -0.0000042800000000 ] - [ 0.0000024800000000, -0.0000036300000000, -0.0005685200000000 ] - [ 0.0000079600000000, -0.0000038700000000, -0.0002547500000000 ] - [ -0.0000033600000000, 0.0000029500000000, -0.0003100600000000 ] - [ -0.0000039800000000, 0.0000031300000000, 0.0005823100000000 ] - [ 0.0000081200000000, -0.0000038300000000, -0.0000967300000000 ] - [ 0.0000072200000000, -0.0000031600000000, -0.0003245300000000 ] - [ -0.0000034600000000, 0.0000028600000000, 0.0001180300000000 ] - [ -0.0000029900000000, 0.0000031300000000, -0.0000689800000000 ] - [ 0.0000069100000000, -0.0000036500000000, 0.0003129800000000 ] - [ 0.0000071100000000, -0.0000036600000000, 0.0001442600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0956405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008698000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014621200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011252000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007846000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011546300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013282700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010773100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010754800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008766900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010588200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567671300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015954100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006601400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009027900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011481300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014492600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012622300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010287000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012223100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010005700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0927381900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013095800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027690500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014815000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014857400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009556100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011294500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015173100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324991600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011990100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013230400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012777200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013101900000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000166600000000, -0.0000091200000000, 0.0002706100000000 ] - [ -0.0616552100000000, 0.0009964400000000, 0.0010447200000000 ] - [ 0.0000150400000000, -0.0000099800000000, -0.0002846300000000 ] - [ -0.0000150700000000, 0.0000081500000000, -0.0002470800000000 ] - [ 0.0000108300000000, -0.0000097200000000, -0.0002425400000000 ] - [ -0.0000153400000000, 0.0000077700000000, -0.0001740300000000 ] - [ -0.0000143200000000, 0.0000072100000000, -0.0001338700000000 ] - [ -0.0001067500000000, -0.0000093800000000, 0.0003286600000000 ] - [ -0.0001061300000000, -0.0000088700000000, -0.0000253700000000 ] - [ -0.0001630700000000, -0.0000047400000000, 0.0002784500000000 ] - [ 0.0000152600000000, -0.0000101900000000, 0.0001402000000000 ] - [ -0.0000137100000000, 0.0000083300000000, -0.0000335500000000 ] - [ -0.0000141500000000, 0.0000083600000000, -0.0003563000000000 ] - [ 0.0000158900000000, -0.0000094100000000, 0.0000133900000000 ] - [ -0.0000144100000000, 0.0000082900000000, -0.0003378600000000 ] - [ 0.0000156700000000, -0.0000090100000000, 0.0000092800000000 ] - [ 0.0000112000000000, -0.0000102400000000, 0.0000344300000000 ] - [ -0.0000144300000000, 0.0000081200000000, 0.0001830000000000 ] - [ -0.0001646200000000, -0.0000024700000000, -0.0003021300000000 ] - [ -0.0000149100000000, 0.0000078000000000, 0.0000297800000000 ] - [ -0.0000151000000000, 0.0000088100000000, 0.0000216200000000 ] - [ -0.0000137400000000, 0.0000079700000000, -0.0000632900000000 ] - [ 0.0000168400000000, -0.0000095400000000, -0.0000649500000000 ] - [ -0.0000143500000000, 0.0000080500000000, -0.0002727600000000 ] - [ -0.0000149800000000, 0.0000081300000000, -0.0000611000000000 ] - [ -0.0000145700000000, 0.0000081900000000, -0.0001031200000000 ] - [ -0.0000051400000000, 0.0000033500000000, 0.0000417300000000 ] - [ -0.0000641800000000, 0.0000028500000000, 0.0003760700000000 ] - [ 0.0000072600000000, -0.0000034600000000, 0.0002180700000000 ] - [ -0.0000046400000000, 0.0000027900000000, 0.0001407200000000 ] - [ 0.0000066400000000, -0.0000035300000000, -0.0002951300000000 ] - [ 0.0000376500000000, 0.0000031300000000, 0.0000904000000000 ] - [ -0.0000037600000000, 0.0000030700000000, 0.0000017900000000 ] - [ -0.0008701600000000, 0.0000019800000000, 0.0004479900000000 ] - [ 0.0000065900000000, -0.0000038100000000, 0.0001582900000000 ] - [ -0.0000043500000000, 0.0000029200000000, 0.0000216000000000 ] - [ 0.0608078500000000, -0.0009945500000000, -0.0010565700000000 ] - [ 0.0000068800000000, -0.0000035700000000, 0.0004708900000000 ] - [ 0.0000067700000000, -0.0000037200000000, 0.0002445200000000 ] - [ 0.0000069800000000, -0.0000038700000000, -0.0000115900000000 ] - [ 0.0000068100000000, -0.0000034900000000, 0.0001353900000000 ] - [ -0.0000049400000000, 0.0000028400000000, -0.0000066700000000 ] - [ 0.0000067800000000, -0.0000036800000000, -0.0005703100000000 ] - [ 0.0000077400000000, -0.0000039100000000, -0.0002593900000000 ] - [ 0.0004624200000000, 0.0000023400000000, -0.0003153500000000 ] - [ -0.0000107200000000, 0.0000031300000000, 0.0005773900000000 ] - [ 0.0000103300000000, -0.0000039000000000, -0.0001004100000000 ] - [ 0.0000067200000000, -0.0000032100000000, -0.0003264200000000 ] - [ 0.0018383000000000, 0.0000115200000000, -0.0000132800000000 ] - [ -0.0000040800000000, 0.0000030900000000, -0.0000711400000000 ] - [ 0.0000070400000000, -0.0000036300000000, 0.0003083000000000 ] - [ 0.0000066800000000, -0.0000036600000000, 0.0001415400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0951137700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009595800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010108400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011432300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008014700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026020300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011510400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010714400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009946200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014351100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006952500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009109100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017210300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014072100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010086400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0936562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014536400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014159500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013026500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010212600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011825600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011401700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009699300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011296600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012080500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011933500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012710000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012700900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003038300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012836400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331568800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012906900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010540600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008299200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010842800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012844400000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000157800000000, -0.0000090300000000, 0.0002723600000000 ] - [ 0.0000152400000000, -0.0000092900000000, 0.0002273700000000 ] - [ -0.0613133500000000, 0.0009894600000000, 0.0003774300000000 ] - [ -0.0000158600000000, 0.0000081900000000, -0.0002418700000000 ] - [ 0.0000160100000000, -0.0000098600000000, -0.0002381500000000 ] - [ -0.0000149700000000, 0.0000078200000000, -0.0001698400000000 ] - [ -0.0000144800000000, 0.0000073200000000, -0.0001306000000000 ] - [ 0.0000154000000000, -0.0000089500000000, 0.0003289800000000 ] - [ 0.0000148700000000, -0.0000087400000000, -0.0000196200000000 ] - [ 0.0000171800000000, -0.0000098700000000, 0.0002844800000000 ] - [ 0.0000159100000000, -0.0000099900000000, 0.0001435700000000 ] - [ -0.0000142100000000, 0.0000084000000000, -0.0000295100000000 ] - [ -0.0009222400000000, 0.0000102600000000, -0.0003517700000000 ] - [ 0.0000148400000000, -0.0000093400000000, 0.0000170200000000 ] - [ -0.0000151500000000, 0.0000083800000000, -0.0003352000000000 ] - [ -0.0001072900000000, -0.0000089900000000, 0.0000126200000000 ] - [ 0.0000164300000000, -0.0000102800000000, 0.0000363000000000 ] - [ -0.0000152500000000, 0.0000082100000000, 0.0001833900000000 ] - [ 0.0000165000000000, -0.0000101300000000, -0.0003059600000000 ] - [ -0.0000158000000000, 0.0000078100000000, 0.0000320100000000 ] - [ -0.0000149500000000, 0.0000089700000000, 0.0000240000000000 ] - [ -0.0000165400000000, 0.0000080200000000, -0.0000624700000000 ] - [ -0.0001640300000000, -0.0000017000000000, -0.0000549200000000 ] - [ 0.0000440600000000, 0.0000085300000000, -0.0002677100000000 ] - [ -0.0000147200000000, 0.0000082500000000, -0.0000570900000000 ] - [ -0.0000139200000000, 0.0000084200000000, -0.0000997300000000 ] - [ -0.0000059300000000, 0.0000032600000000, 0.0000455500000000 ] - [ -0.0000051900000000, 0.0000029600000000, 0.0003769800000000 ] - [ 0.0000062800000000, -0.0000034300000000, 0.0002208900000000 ] - [ -0.0000049600000000, 0.0000028700000000, 0.0001427200000000 ] - [ 0.0000068200000000, -0.0000034000000000, -0.0002920500000000 ] - [ -0.0000055900000000, 0.0000032600000000, 0.0000932500000000 ] - [ -0.0000045300000000, 0.0000031000000000, 0.0000053000000000 ] - [ -0.0000051700000000, 0.0000029500000000, 0.0004502600000000 ] - [ 0.0000064200000000, -0.0000036800000000, 0.0001605500000000 ] - [ 0.0599719600000000, -0.0009960300000000, -0.0005811100000000 ] - [ -0.0000056600000000, 0.0000032300000000, -0.0004508300000000 ] - [ 0.0000063500000000, -0.0000035300000000, 0.0004745800000000 ] - [ 0.0000061300000000, -0.0000035500000000, 0.0002450000000000 ] - [ 0.0000080200000000, -0.0000037800000000, -0.0000080400000000 ] - [ 0.0000066600000000, -0.0000033700000000, 0.0001391600000000 ] - [ 0.0017998000000000, 0.0000118200000000, -0.0001354700000000 ] - [ 0.0000062100000000, -0.0000036100000000, -0.0005693700000000 ] - [ -0.0000004800000000, -0.0000035100000000, -0.0002571500000000 ] - [ -0.0000047600000000, 0.0000029200000000, -0.0003118600000000 ] - [ -0.0000049300000000, 0.0000032500000000, 0.0005833500000000 ] - [ 0.0000066300000000, -0.0000037600000000, -0.0000966700000000 ] - [ 0.0001784900000000, 0.0000016300000000, -0.0003201700000000 ] - [ -0.0000049200000000, 0.0000028800000000, 0.0001203100000000 ] - [ 0.0004637700000000, 0.0000027400000000, -0.0000684600000000 ] - [ 0.0000430100000000, -0.0000036100000000, 0.0003127100000000 ] - [ 0.0000060800000000, -0.0000034600000000, 0.0001455000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0961108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014733400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011212200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014209800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022376000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008352600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011702200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010887200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011367700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014622100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011690000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014721900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008928500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010288300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0923798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013891800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011666000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011773100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029579000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015092300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012567600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009651200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012081900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012444200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013151500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016720500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011469700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0545101900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009708600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008758800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013308100000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000150000000000, -0.0000080000000000, 0.0002725300000000 ] - [ 0.0000167500000000, -0.0000083300000000, 0.0002254200000000 ] - [ 0.0000157600000000, -0.0000089400000000, -0.0002840100000000 ] - [ -0.0617212900000000, -0.0009968000000000, 0.0005149000000000 ] - [ 0.0000178900000000, -0.0000088800000000, -0.0002403100000000 ] - [ -0.0000124700000000, 0.0000088500000000, -0.0001724000000000 ] - [ -0.0000127500000000, 0.0000082900000000, -0.0001332900000000 ] - [ 0.0000165600000000, -0.0000079700000000, 0.0003280100000000 ] - [ 0.0000171300000000, -0.0000077500000000, -0.0000224800000000 ] - [ 0.0000184800000000, -0.0000088800000000, 0.0002824200000000 ] - [ 0.0000175000000000, -0.0000091000000000, 0.0001407800000000 ] - [ -0.0001911900000000, 0.0000016100000000, -0.0000229300000000 ] - [ -0.0000133300000000, 0.0000093800000000, -0.0003538300000000 ] - [ 0.0000169700000000, -0.0000083600000000, 0.0000145100000000 ] - [ -0.0001364700000000, 0.0000096600000000, -0.0003377900000000 ] - [ 0.0000075000000000, -0.0000078000000000, 0.0000111400000000 ] - [ 0.0000178000000000, -0.0000092900000000, 0.0000341900000000 ] - [ -0.0000142700000000, 0.0000091600000000, 0.0001825200000000 ] - [ 0.0000167700000000, -0.0000091700000000, -0.0003084100000000 ] - [ -0.0000133200000000, 0.0000088800000000, 0.0000301300000000 ] - [ -0.0000138400000000, 0.0000099600000000, 0.0000233400000000 ] - [ -0.0001922500000000, 0.0000038000000000, -0.0000648800000000 ] - [ 0.0000179100000000, -0.0000084400000000, -0.0000634800000000 ] - [ -0.0000134100000000, 0.0000091000000000, -0.0002704400000000 ] - [ -0.0000133400000000, 0.0000092000000000, -0.0000596700000000 ] - [ -0.0001356300000000, 0.0000093300000000, -0.0001029500000000 ] - [ 0.0000326100000000, 0.0000045800000000, 0.0000432200000000 ] - [ -0.0000036000000000, 0.0000039900000000, 0.0003759300000000 ] - [ 0.0004753000000000, -0.0000017300000000, 0.0002158400000000 ] - [ -0.0000023700000000, 0.0000037600000000, 0.0001463300000000 ] - [ 0.0000075800000000, -0.0000024600000000, -0.0002950700000000 ] - [ -0.0000035100000000, 0.0000042800000000, 0.0000925600000000 ] - [ -0.0000032400000000, 0.0000042200000000, 0.0000007900000000 ] - [ -0.0000034800000000, 0.0000038400000000, 0.0004475400000000 ] - [ 0.0000080900000000, -0.0000027600000000, 0.0001617600000000 ] - [ -0.0000033400000000, 0.0000039800000000, 0.0000211800000000 ] - [ -0.0000036000000000, 0.0000042600000000, -0.0004532400000000 ] - [ 0.0000076300000000, -0.0000024400000000, 0.0004720400000000 ] - [ 0.0000074800000000, -0.0000026400000000, 0.0002432800000000 ] - [ -0.0008570100000000, -0.0000019600000000, -0.0000016700000000 ] - [ 0.0000082400000000, -0.0000024500000000, 0.0001356700000000 ] - [ -0.0000045400000000, 0.0000038600000000, -0.0000010900000000 ] - [ 0.0018382000000000, -0.0000112900000000, -0.0007027600000000 ] - [ 0.0000083800000000, -0.0000028700000000, -0.0002574100000000 ] - [ -0.0000032400000000, 0.0000039300000000, -0.0003144200000000 ] - [ -0.0000035700000000, 0.0000041500000000, 0.0005799600000000 ] - [ 0.0000077500000000, -0.0000027900000000, -0.0000990900000000 ] - [ 0.0000076600000000, -0.0000021300000000, -0.0003255900000000 ] - [ -0.0000034500000000, 0.0000038600000000, 0.0001179400000000 ] - [ -0.0000048800000000, 0.0000041000000000, -0.0000734900000000 ] - [ -0.0000539300000000, -0.0000026400000000, 0.0003090500000000 ] - [ 0.0608164000000000, 0.0009958500000000, -0.0004622600000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014216200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028785400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011728800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011458500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014617300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010092400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0561534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013455200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014397100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011757000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332842400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014434600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0929373500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011688700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008597500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028946100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011310100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011261100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029687900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013702500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012232600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015042000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012914800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006899300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001562000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011318900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0548999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010576300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012620800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015219300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325524200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000180100000000, -0.0000091000000000, 0.0002710200000000 ] - [ 0.0000113500000000, -0.0000092400000000, 0.0002262900000000 ] - [ 0.0000163500000000, -0.0000099900000000, -0.0002825800000000 ] - [ -0.0000133800000000, 0.0000081100000000, -0.0002434500000000 ] - [ -0.0614825000000000, 0.0009904200000000, 0.0004812100000000 ] - [ -0.0000129500000000, 0.0000078000000000, -0.0001714300000000 ] - [ -0.0000132300000000, 0.0000072300000000, -0.0001319900000000 ] - [ 0.0000163600000000, -0.0000090500000000, 0.0003276500000000 ] - [ -0.0001545600000000, -0.0000037000000000, -0.0000234400000000 ] - [ 0.0000170500000000, -0.0000099900000000, 0.0002831500000000 ] - [ 0.0000182700000000, -0.0000100300000000, 0.0001421600000000 ] - [ -0.0000118500000000, 0.0000083100000000, -0.0000306900000000 ] - [ -0.0000136100000000, 0.0000083900000000, -0.0003529400000000 ] - [ 0.0000175600000000, -0.0000093900000000, 0.0000156900000000 ] - [ -0.0000148900000000, 0.0000082600000000, -0.0003362800000000 ] - [ 0.0000167600000000, -0.0000090100000000, 0.0000116500000000 ] - [ 0.0000182000000000, -0.0000104800000000, 0.0000351200000000 ] - [ -0.0001515100000000, 0.0000078800000000, 0.0001816400000000 ] - [ -0.0001040600000000, -0.0000105200000000, -0.0003072600000000 ] - [ -0.0009209700000000, -0.0000037700000000, 0.0000411600000000 ] - [ -0.0000133100000000, 0.0000089300000000, 0.0000228100000000 ] - [ -0.0000125100000000, 0.0000079900000000, -0.0000642700000000 ] - [ 0.0000197400000000, -0.0000094400000000, -0.0000644400000000 ] - [ -0.0000143200000000, 0.0000080300000000, -0.0002696200000000 ] - [ -0.0000220500000000, 0.0000083100000000, -0.0000590200000000 ] - [ -0.0000134000000000, 0.0000081900000000, -0.0001007400000000 ] - [ -0.0000038400000000, 0.0000032100000000, 0.0000441400000000 ] - [ -0.0000032100000000, 0.0000028600000000, 0.0003755500000000 ] - [ 0.0000080300000000, -0.0000035300000000, 0.0002197200000000 ] - [ -0.0000033400000000, 0.0000028100000000, 0.0001412800000000 ] - [ 0.0000654700000000, -0.0000033700000000, -0.0002931200000000 ] - [ 0.0603280200000000, -0.0009866300000000, -0.0005088000000000 ] - [ -0.0000031200000000, 0.0000029900000000, 0.0000037600000000 ] - [ -0.0000038500000000, 0.0000028300000000, 0.0004488300000000 ] - [ 0.0000078800000000, -0.0000037800000000, 0.0001593300000000 ] - [ -0.0000033000000000, 0.0000029200000000, 0.0000232400000000 ] - [ -0.0000094600000000, 0.0000031000000000, -0.0004523100000000 ] - [ 0.0000078900000000, -0.0000036300000000, 0.0004730600000000 ] - [ 0.0006463200000000, -0.0000021100000000, 0.0002445100000000 ] - [ 0.0000087400000000, -0.0000038300000000, -0.0000097300000000 ] - [ 0.0000086500000000, -0.0000034600000000, 0.0001378200000000 ] - [ -0.0000040000000000, 0.0000028600000000, -0.0000056900000000 ] - [ 0.0000082100000000, -0.0000036800000000, -0.0005706100000000 ] - [ 0.0000135900000000, -0.0000039400000000, -0.0002579700000000 ] - [ -0.0008662500000000, 0.0000020400000000, -0.0003115900000000 ] - [ -0.0000035100000000, 0.0000031400000000, 0.0005815200000000 ] - [ 0.0026417300000000, 0.0000196800000000, -0.0002240300000000 ] - [ 0.0000083500000000, -0.0000032600000000, -0.0003242900000000 ] - [ -0.0000622300000000, 0.0000026800000000, 0.0001187100000000 ] - [ -0.0000034600000000, 0.0000031300000000, -0.0000698300000000 ] - [ 0.0000081600000000, -0.0000036200000000, 0.0003107700000000 ] - [ 0.0000079700000000, -0.0000035400000000, 0.0001443100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008742700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008960100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0955378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014739400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007903400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011852600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014368100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009599100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010402000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011087700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009269900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332812800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006908800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011314100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006787200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009012000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0561037200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008435100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009937100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0919076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008601100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014928400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011180400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010699700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025491800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011245900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012057500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014204900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012388200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014996200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013835500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326469200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011694600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012970000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011109100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013048100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0539137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008470100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013027400000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000149900000000, -0.0000080300000000, 0.0002716400000000 ] - [ 0.0000136200000000, -0.0000082800000000, 0.0002277200000000 ] - [ 0.0000137900000000, -0.0000089600000000, -0.0002809800000000 ] - [ -0.0000153000000000, 0.0000092200000000, -0.0002406700000000 ] - [ 0.0000155000000000, -0.0000088900000000, -0.0002390600000000 ] - [ -0.0614612100000000, -0.0009915000000000, 0.0004734500000000 ] - [ -0.0001369300000000, 0.0000085700000000, -0.0001311400000000 ] - [ -0.0001237500000000, -0.0000077900000000, 0.0003301500000000 ] - [ 0.0000153300000000, -0.0000077100000000, -0.0000198100000000 ] - [ 0.0000081300000000, -0.0000086700000000, 0.0002841800000000 ] - [ 0.0000151900000000, -0.0000090500000000, 0.0001431800000000 ] - [ -0.0000147300000000, 0.0000093900000000, -0.0000301500000000 ] - [ -0.0000150900000000, 0.0000094500000000, -0.0003520400000000 ] - [ 0.0000065000000000, -0.0000081900000000, 0.0000168000000000 ] - [ -0.0000156700000000, 0.0000093500000000, -0.0003346400000000 ] - [ 0.0000150900000000, -0.0000079300000000, 0.0000123000000000 ] - [ -0.0008911800000000, 0.0000022700000000, 0.0000457300000000 ] - [ -0.0000147900000000, 0.0000091900000000, 0.0001841700000000 ] - [ 0.0000156600000000, -0.0000091500000000, -0.0003054400000000 ] - [ -0.0000146700000000, 0.0000089000000000, 0.0000313200000000 ] - [ -0.0001853800000000, 0.0000048500000000, 0.0000223600000000 ] - [ -0.0000152000000000, 0.0000089700000000, -0.0000621600000000 ] - [ 0.0000171400000000, -0.0000084500000000, -0.0000629400000000 ] - [ -0.0000139400000000, 0.0000092000000000, -0.0002684200000000 ] - [ -0.0000152300000000, 0.0000092200000000, -0.0000568600000000 ] - [ -0.0000146200000000, 0.0000092300000000, -0.0000990000000000 ] - [ -0.0000053300000000, 0.0000042500000000, 0.0000474300000000 ] - [ 0.0006333000000000, 0.0000024300000000, 0.0003832800000000 ] - [ 0.0000064800000000, -0.0000027300000000, 0.0002262400000000 ] - [ -0.0000056100000000, 0.0000038000000000, 0.0001362600000000 ] - [ 0.0000062600000000, -0.0000024900000000, -0.0002911100000000 ] - [ -0.0000043100000000, 0.0000042400000000, 0.0000897800000000 ] - [ -0.0000063600000000, 0.0000040200000000, 0.0000073000000000 ] - [ 0.0000525100000000, 0.0000036700000000, 0.0004494500000000 ] - [ -0.0008559200000000, -0.0000019600000000, 0.0001608000000000 ] - [ -0.0000051400000000, 0.0000039100000000, 0.0000277000000000 ] - [ -0.0000002900000000, 0.0000040500000000, -0.0004504500000000 ] - [ -0.0000549900000000, -0.0000026600000000, 0.0004763300000000 ] - [ 0.0000063800000000, -0.0000025300000000, 0.0002496900000000 ] - [ 0.0000064000000000, -0.0000027600000000, -0.0000143300000000 ] - [ 0.0603830500000000, 0.0009886000000000, -0.0004631300000000 ] - [ -0.0000051800000000, 0.0000039800000000, -0.0000080900000000 ] - [ 0.0000064800000000, -0.0000027100000000, -0.0005713800000000 ] - [ 0.0000067400000000, -0.0000029100000000, -0.0002583600000000 ] - [ -0.0000051800000000, 0.0000038800000000, -0.0003135400000000 ] - [ 0.0026224400000000, -0.0000192200000000, 0.0004591200000000 ] - [ 0.0000067500000000, -0.0000028100000000, -0.0000952700000000 ] - [ 0.0000058700000000, -0.0000023000000000, -0.0003256200000000 ] - [ -0.0000045100000000, 0.0000037900000000, 0.0001197600000000 ] - [ -0.0000048300000000, 0.0000042200000000, -0.0000673700000000 ] - [ 0.0000059000000000, -0.0000025200000000, 0.0003166700000000 ] - [ 0.0000058800000000, -0.0000024200000000, 0.0001491300000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0948462600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011379700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015700800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010955000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010664900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008548200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010655400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010607200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002462400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011397100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007415700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332980600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012698800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008546600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009833600000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014265000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0913589500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009193000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011121100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028532500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013928900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011824200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016471000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013876800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011373400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009180000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0532712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008521700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012806700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013209500000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000754000000000, -0.0000089700000000, 0.0002724600000000 ] - [ 0.0000165200000000, -0.0000083500000000, 0.0002273500000000 ] - [ 0.0000162700000000, -0.0000089300000000, -0.0002820400000000 ] - [ -0.0000137100000000, 0.0000091500000000, -0.0002416300000000 ] - [ 0.0000171200000000, -0.0000089100000000, -0.0002387700000000 ] - [ -0.0001350500000000, 0.0000089000000000, -0.0001709300000000 ] - [ -0.0613915400000000, -0.0009934000000000, 0.0005489200000000 ] - [ 0.0000137400000000, -0.0000080600000000, 0.0003289400000000 ] - [ 0.0000171900000000, -0.0000077500000000, -0.0000204300000000 ] - [ 0.0000175200000000, -0.0000089200000000, 0.0002840600000000 ] - [ 0.0000172900000000, -0.0000090800000000, 0.0001428600000000 ] - [ -0.0000132700000000, 0.0000093600000000, -0.0000296400000000 ] - [ -0.0000139800000000, 0.0000094000000000, -0.0003517600000000 ] - [ -0.0008906000000000, -0.0000101800000000, 0.0000164700000000 ] - [ -0.0000140800000000, 0.0000093200000000, -0.0003355500000000 ] - [ 0.0000151000000000, -0.0000080300000000, 0.0000129700000000 ] - [ 0.0000180900000000, -0.0000093500000000, 0.0000353800000000 ] - [ -0.0000124100000000, 0.0000092400000000, 0.0001827000000000 ] - [ 0.0000183600000000, -0.0000090600000000, -0.0003062400000000 ] - [ -0.0000136100000000, 0.0000088600000000, 0.0000315300000000 ] - [ -0.0001952400000000, 0.0000021900000000, 0.0000316500000000 ] - [ -0.0000134600000000, 0.0000090200000000, -0.0000634600000000 ] - [ 0.0000184400000000, -0.0000084700000000, -0.0000632000000000 ] - [ -0.0000132900000000, 0.0000090900000000, -0.0002686200000000 ] - [ -0.0000139500000000, 0.0000091900000000, -0.0000575400000000 ] - [ -0.0000146100000000, 0.0000092100000000, -0.0001000700000000 ] - [ -0.0000036800000000, 0.0000043400000000, 0.0000440400000000 ] - [ -0.0000026200000000, 0.0000039900000000, 0.0003736600000000 ] - [ 0.0000075800000000, -0.0000023700000000, 0.0002216500000000 ] - [ -0.0000110300000000, 0.0000034800000000, 0.0001420800000000 ] - [ 0.0000072100000000, -0.0000025200000000, -0.0002924300000000 ] - [ -0.0000035400000000, 0.0000042800000000, 0.0000951600000000 ] - [ 0.0001689700000000, -0.0000008200000000, 0.0000083900000000 ] - [ -0.0000038000000000, 0.0000038500000000, 0.0004489200000000 ] - [ 0.0018136000000000, -0.0000116800000000, 0.0000281000000000 ] - [ -0.0000037400000000, 0.0000039900000000, 0.0000245900000000 ] - [ -0.0000041600000000, 0.0000042300000000, -0.0004506900000000 ] - [ 0.0599693300000000, 0.0009969800000000, -0.0001322200000000 ] - [ 0.0000075400000000, -0.0000026500000000, 0.0002404800000000 ] - [ 0.0000081400000000, -0.0000027900000000, -0.0000127900000000 ] - [ 0.0004762200000000, -0.0000019400000000, 0.0001405000000000 ] - [ -0.0000045700000000, 0.0000038500000000, -0.0000062900000000 ] - [ 0.0000075300000000, -0.0000026500000000, -0.0005671800000000 ] - [ 0.0000079000000000, -0.0000028800000000, -0.0002558700000000 ] - [ -0.0000043500000000, 0.0000039000000000, -0.0003108100000000 ] - [ 0.0000326300000000, 0.0000042200000000, 0.0005833400000000 ] - [ 0.0000078700000000, -0.0000028200000000, -0.0000969900000000 ] - [ 0.0000071200000000, -0.0000021900000000, -0.0003208800000000 ] - [ -0.0000039400000000, 0.0000038700000000, 0.0001188200000000 ] - [ -0.0000036000000000, 0.0000041400000000, -0.0000670600000000 ] - [ 0.0000075100000000, -0.0000026000000000, 0.0003125100000000 ] - [ 0.0000076500000000, -0.0000026300000000, 0.0001455600000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0015812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963873700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026133700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008322600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010556600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007735000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0571154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016073900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014941200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012504300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008617000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010215900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010307900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0926638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011711500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014971400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011383700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009590300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012132600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012052400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014051400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013579600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016249500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012118400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0321160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010927300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013176500000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000157300000000, -0.0000090600000000, 0.0002654600000000 ] - [ -0.0001073900000000, -0.0000093100000000, 0.0002267100000000 ] - [ 0.0000145300000000, -0.0000098000000000, -0.0002790200000000 ] - [ -0.0000158200000000, 0.0000081400000000, -0.0002431700000000 ] - [ 0.0000151500000000, -0.0000097800000000, -0.0002417100000000 ] - [ -0.0001533600000000, 0.0000076300000000, -0.0001736700000000 ] - [ -0.0000179100000000, 0.0000074300000000, -0.0001312100000000 ] - [ -0.0616104300000000, 0.0009930400000000, 0.0010528000000000 ] - [ 0.0000139100000000, -0.0000086400000000, -0.0000210200000000 ] - [ -0.0001645300000000, -0.0000021900000000, 0.0002906800000000 ] - [ 0.0000146800000000, -0.0000098200000000, 0.0001441600000000 ] - [ -0.0000148000000000, 0.0000085100000000, -0.0000318900000000 ] - [ -0.0000162400000000, 0.0000086600000000, -0.0003536700000000 ] - [ 0.0000148700000000, -0.0000092200000000, 0.0000159800000000 ] - [ -0.0000161000000000, 0.0000083400000000, -0.0003315800000000 ] - [ 0.0000136000000000, -0.0000089700000000, 0.0000095600000000 ] - [ -0.0001660400000000, -0.0000051600000000, 0.0000325700000000 ] - [ -0.0000146300000000, 0.0000083000000000, 0.0001846000000000 ] - [ 0.0000097900000000, -0.0000100000000000, -0.0003081300000000 ] - [ -0.0000153900000000, 0.0000079300000000, 0.0000297600000000 ] - [ -0.0000196100000000, 0.0000090200000000, 0.0000208000000000 ] - [ -0.0000143800000000, 0.0000081000000000, -0.0000652300000000 ] - [ 0.0000166400000000, -0.0000094700000000, -0.0000670200000000 ] - [ -0.0000151300000000, 0.0000082800000000, -0.0002700100000000 ] - [ -0.0000154600000000, 0.0000082400000000, -0.0000579300000000 ] - [ -0.0000152100000000, 0.0000084500000000, -0.0000971000000000 ] - [ -0.0000052100000000, 0.0000028900000000, 0.0000486700000000 ] - [ 0.0608164000000000, -0.0009950700000000, -0.0002238800000000 ] - [ 0.0000057000000000, -0.0000045600000000, 0.0002378300000000 ] - [ -0.0000054100000000, 0.0000030600000000, 0.0001113000000000 ] - [ 0.0000056600000000, -0.0000034800000000, -0.0002886700000000 ] - [ -0.0000051700000000, 0.0000030900000000, 0.0000862400000000 ] - [ -0.0000049600000000, 0.0000024600000000, 0.0000181400000000 ] - [ 0.0018317800000000, 0.0000120100000000, 0.0003229300000000 ] - [ 0.0000009900000000, -0.0000034900000000, 0.0001422000000000 ] - [ -0.0000059200000000, 0.0000026300000000, 0.0000305200000000 ] - [ 0.0004604600000000, 0.0000024700000000, -0.0004468600000000 ] - [ 0.0000058100000000, -0.0000040600000000, 0.0004760100000000 ] - [ 0.0000056800000000, -0.0000032700000000, 0.0002469600000000 ] - [ 0.0000061200000000, -0.0000038900000000, -0.0000367100000000 ] - [ -0.0000319000000000, -0.0000033300000000, 0.0001486700000000 ] - [ -0.0000053400000000, 0.0000034600000000, -0.0000280200000000 ] - [ 0.0000054900000000, -0.0000040100000000, -0.0005701500000000 ] - [ 0.0000066500000000, -0.0000040800000000, -0.0002623100000000 ] - [ -0.0000020300000000, 0.0000027100000000, -0.0003144400000000 ] - [ -0.0008759600000000, 0.0000029900000000, 0.0005828300000000 ] - [ 0.0000067700000000, -0.0000036800000000, -0.0001006600000000 ] - [ 0.0000059300000000, -0.0000036100000000, -0.0003217400000000 ] - [ 0.0000366600000000, 0.0000028900000000, 0.0001222200000000 ] - [ -0.0000052300000000, 0.0000034100000000, -0.0000599700000000 ] - [ 0.0000059500000000, -0.0000032600000000, 0.0003173100000000 ] - [ 0.0000046000000000, -0.0000029600000000, 0.0001608600000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013908500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008722900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0947944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011117700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012796800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010964100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007739200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010601200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009494300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010744500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0571430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015710700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009157600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011692400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010703700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012696400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012361700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010086300000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010335500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012911500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928457200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010076400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011655500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014609100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011938500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013898100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0537963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011990100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006754800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005898500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004484100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010664900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011107300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014816200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013125500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000173800000000, -0.0000091800000000, 0.0002721900000000 ] - [ -0.0001054800000000, -0.0000097500000000, 0.0002256200000000 ] - [ 0.0000153100000000, -0.0000100500000000, -0.0002825900000000 ] - [ -0.0000139900000000, 0.0000080600000000, -0.0002458000000000 ] - [ -0.0001545800000000, -0.0000022500000000, -0.0002323700000000 ] - [ -0.0000130000000000, 0.0000076500000000, -0.0001732300000000 ] - [ -0.0000130300000000, 0.0000071500000000, -0.0001319500000000 ] - [ 0.0000151700000000, -0.0000091300000000, 0.0003304200000000 ] - [ -0.0616880300000000, 0.0010014200000000, 0.0007202200000000 ] - [ 0.0000123500000000, -0.0000099000000000, 0.0002823500000000 ] - [ 0.0000175300000000, -0.0000101700000000, 0.0001422100000000 ] - [ -0.0000127100000000, 0.0000082300000000, -0.0000321200000000 ] - [ -0.0000134600000000, 0.0000082900000000, -0.0003545900000000 ] - [ 0.0000166500000000, -0.0000095400000000, 0.0000144400000000 ] - [ -0.0000140500000000, 0.0000082100000000, -0.0003352300000000 ] - [ 0.0000161700000000, -0.0000090900000000, 0.0000103500000000 ] - [ 0.0000176400000000, -0.0000104400000000, 0.0000367000000000 ] - [ -0.0000172000000000, 0.0000080500000000, 0.0001848400000000 ] - [ -0.0001623700000000, -0.0000050800000000, -0.0003114800000000 ] - [ 0.0000452800000000, 0.0000078500000000, 0.0000313300000000 ] - [ -0.0000138100000000, 0.0000088400000000, 0.0000233400000000 ] - [ -0.0000126300000000, 0.0000079600000000, -0.0000620300000000 ] - [ 0.0000190400000000, -0.0000095800000000, -0.0000632700000000 ] - [ -0.0000140100000000, 0.0000078900000000, -0.0002712000000000 ] - [ -0.0000144000000000, 0.0000080900000000, -0.0000601000000000 ] - [ -0.0000129500000000, 0.0000081200000000, -0.0001014400000000 ] - [ -0.0000039000000000, 0.0000031900000000, 0.0000424500000000 ] - [ -0.0000042200000000, 0.0000028200000000, 0.0003683600000000 ] - [ 0.0000078700000000, -0.0000035200000000, 0.0002195200000000 ] - [ -0.0000038300000000, 0.0000027100000000, 0.0001418100000000 ] - [ 0.0000084100000000, -0.0000036000000000, -0.0002945800000000 ] - [ 0.0017833800000000, 0.0000117700000000, -0.0000342600000000 ] - [ -0.0000032600000000, 0.0000029800000000, 0.0000039000000000 ] - [ -0.0000092900000000, 0.0000027800000000, 0.0004491100000000 ] - [ 0.0000079000000000, -0.0000038800000000, 0.0001583000000000 ] - [ -0.0000037500000000, 0.0000028900000000, 0.0000218800000000 ] - [ -0.0000632200000000, 0.0000030600000000, -0.0004527400000000 ] - [ 0.0000077900000000, -0.0000036500000000, 0.0004722400000000 ] - [ 0.0000181600000000, -0.0000037900000000, 0.0002364300000000 ] - [ 0.0000082900000000, -0.0000039400000000, -0.0000139900000000 ] - [ 0.0000082500000000, -0.0000035500000000, 0.0001391800000000 ] - [ -0.0000045500000000, 0.0000027700000000, -0.0000068300000000 ] - [ 0.0000077800000000, -0.0000037800000000, -0.0005659500000000 ] - [ 0.0000081200000000, -0.0000040000000000, -0.0002538000000000 ] - [ 0.0608351300000000, -0.0009955500000000, -0.0009121800000000 ] - [ -0.0000036200000000, 0.0000030800000000, 0.0005790700000000 ] - [ 0.0003304600000000, -0.0000047700000000, -0.0000995600000000 ] - [ 0.0000078500000000, -0.0000033000000000, -0.0003202600000000 ] - [ -0.0008691300000000, 0.0000019900000000, 0.0001206200000000 ] - [ -0.0000029400000000, 0.0000030400000000, -0.0000684600000000 ] - [ 0.0000078900000000, -0.0000037100000000, 0.0003088000000000 ] - [ 0.0000075800000000, -0.0000037000000000, 0.0001443300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008782300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026652900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008275100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025716400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013546600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007566000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009646000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016429200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006789500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009015100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011356700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009888500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010629100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013100500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008372700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0938171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010364400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015162500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011435200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032310800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011428500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012257500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014956700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011453600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016180600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011120000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011189500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008755600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014544800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012715900000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000157700000000, -0.0000091000000000, 0.0002691900000000 ] - [ -0.0001646800000000, -0.0000016500000000, 0.0002338300000000 ] - [ 0.0000155400000000, -0.0000099600000000, -0.0002837000000000 ] - [ -0.0000146700000000, 0.0000081000000000, -0.0002424000000000 ] - [ 0.0000151100000000, -0.0000099600000000, -0.0002399900000000 ] - [ -0.0000223200000000, 0.0000079100000000, -0.0001711700000000 ] - [ -0.0000148300000000, 0.0000072300000000, -0.0001338100000000 ] - [ -0.0001652200000000, -0.0000038400000000, 0.0003240900000000 ] - [ 0.0000102800000000, -0.0000086100000000, -0.0000214600000000 ] - [ -0.0616153700000000, 0.0009966300000000, 0.0010539100000000 ] - [ 0.0000162700000000, -0.0000101200000000, 0.0001409400000000 ] - [ -0.0000137900000000, 0.0000083200000000, -0.0000311200000000 ] - [ -0.0000147100000000, 0.0000084000000000, -0.0003528600000000 ] - [ 0.0000162000000000, -0.0000094800000000, 0.0000158200000000 ] - [ -0.0000152500000000, 0.0000082800000000, -0.0003377300000000 ] - [ 0.0000151300000000, -0.0000090300000000, 0.0000113500000000 ] - [ -0.0001054400000000, -0.0000107100000000, 0.0000332700000000 ] - [ -0.0000142500000000, 0.0000081100000000, 0.0001802500000000 ] - [ -0.0001057700000000, -0.0000103000000000, -0.0003078800000000 ] - [ -0.0000152500000000, 0.0000077800000000, 0.0000287400000000 ] - [ -0.0000153300000000, 0.0000088800000000, 0.0000212800000000 ] - [ -0.0000130200000000, 0.0000079400000000, -0.0000659100000000 ] - [ 0.0000179800000000, -0.0000095400000000, -0.0000657200000000 ] - [ -0.0000142000000000, 0.0000081300000000, -0.0002698400000000 ] - [ -0.0000151900000000, 0.0000081200000000, -0.0000589000000000 ] - [ -0.0000159800000000, 0.0000081800000000, -0.0001010800000000 ] - [ -0.0000048100000000, 0.0000030200000000, 0.0000446300000000 ] - [ -0.0008695100000000, 0.0000020000000000, 0.0003728200000000 ] - [ 0.0000066800000000, -0.0000041500000000, 0.0002261400000000 ] - [ -0.0000043400000000, 0.0000028700000000, 0.0001277000000000 ] - [ 0.0000065500000000, -0.0000036200000000, -0.0002926500000000 ] - [ -0.0000009500000000, 0.0000031100000000, 0.0000896900000000 ] - [ -0.0000041200000000, 0.0000026500000000, 0.0000091000000000 ] - [ 0.0607768700000000, -0.0009942700000000, -0.0001520500000000 ] - [ 0.0000062500000000, -0.0000037900000000, 0.0001495000000000 ] - [ -0.0000047100000000, 0.0000029200000000, 0.0000275500000000 ] - [ 0.0018344300000000, 0.0000118600000000, -0.0005821400000000 ] - [ 0.0000072200000000, -0.0000039500000000, 0.0004747900000000 ] - [ 0.0000070600000000, -0.0000035400000000, 0.0002410800000000 ] - [ 0.0000067800000000, -0.0000039200000000, -0.0000269900000000 ] - [ 0.0000051700000000, -0.0000035100000000, 0.0001412600000000 ] - [ -0.0000048200000000, 0.0000031600000000, -0.0000181300000000 ] - [ 0.0000064100000000, -0.0000038500000000, -0.0005699500000000 ] - [ 0.0000074200000000, -0.0000040900000000, -0.0002601100000000 ] - [ 0.0000376100000000, 0.0000026900000000, -0.0003124800000000 ] - [ -0.0000670200000000, 0.0000033200000000, 0.0005829400000000 ] - [ 0.0000077300000000, -0.0000038500000000, -0.0000986500000000 ] - [ 0.0000067600000000, -0.0000035300000000, -0.0003237400000000 ] - [ 0.0004618800000000, 0.0000023500000000, 0.0001192700000000 ] - [ -0.0000040600000000, 0.0000032500000000, -0.0000658000000000 ] - [ 0.0000064900000000, -0.0000035700000000, 0.0003152500000000 ] - [ 0.0000060200000000, -0.0000032200000000, 0.0001518800000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010272700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011418200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0958404300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013001700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007877300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011525100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010786800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004943700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011416900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011262000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0562027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011442200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016991500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009895300000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013931500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013933600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013367700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012940600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011891100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0934742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011755400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014975800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011286300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009633300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011279600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014264700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012041200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002013300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013669800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011557800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0546842800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016315200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011216500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005840100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010942200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014614800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012862200000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001642100000000, -0.0000014300000000, 0.0002740500000000 ] - [ 0.0000161000000000, -0.0000094400000000, 0.0002273100000000 ] - [ 0.0000165100000000, -0.0000099600000000, -0.0002799100000000 ] - [ -0.0000132900000000, 0.0000080000000000, -0.0002431500000000 ] - [ 0.0000185000000000, -0.0000099000000000, -0.0002420800000000 ] - [ -0.0000129700000000, 0.0000077800000000, -0.0001751200000000 ] - [ -0.0000130000000000, 0.0000073600000000, -0.0001312000000000 ] - [ 0.0000161300000000, -0.0000090400000000, 0.0003315500000000 ] - [ 0.0000176100000000, -0.0000088000000000, -0.0000217800000000 ] - [ 0.0000184800000000, -0.0000100700000000, 0.0002822100000000 ] - [ -0.0614138800000000, 0.0009973900000000, 0.0008782600000000 ] - [ 0.0000458600000000, 0.0000088300000000, -0.0000319500000000 ] - [ -0.0000135400000000, 0.0000084800000000, -0.0003545600000000 ] - [ -0.0001046900000000, -0.0000094400000000, 0.0000150500000000 ] - [ -0.0000149600000000, 0.0000081000000000, -0.0003320700000000 ] - [ 0.0000162000000000, -0.0000090700000000, 0.0000083100000000 ] - [ 0.0000180100000000, -0.0000105100000000, 0.0000349000000000 ] - [ -0.0000131100000000, 0.0000080400000000, 0.0001859400000000 ] - [ 0.0000177600000000, -0.0000102800000000, -0.0003074300000000 ] - [ -0.0000134100000000, 0.0000077800000000, 0.0000296100000000 ] - [ -0.0000152800000000, 0.0000089000000000, 0.0000216000000000 ] - [ -0.0000132900000000, 0.0000078900000000, -0.0000644100000000 ] - [ 0.0000178300000000, -0.0000096600000000, -0.0000659300000000 ] - [ -0.0000129400000000, 0.0000081100000000, -0.0002708900000000 ] - [ -0.0000138300000000, 0.0000080700000000, -0.0000576500000000 ] - [ -0.0009203800000000, 0.0000101200000000, -0.0000974800000000 ] - [ 0.0599914100000000, -0.0009963400000000, -0.0005570800000000 ] - [ -0.0000029800000000, 0.0000026500000000, 0.0003852800000000 ] - [ 0.0001806900000000, 0.0000001900000000, 0.0002376100000000 ] - [ 0.0018046100000000, 0.0000116700000000, -0.0000164800000000 ] - [ 0.0000078700000000, -0.0000035500000000, -0.0002901100000000 ] - [ -0.0000030400000000, 0.0000030400000000, 0.0000867900000000 ] - [ 0.0004653800000000, 0.0000019500000000, 0.0000155500000000 ] - [ -0.0000033000000000, 0.0000029700000000, 0.0004509800000000 ] - [ 0.0000093100000000, -0.0000036100000000, 0.0001466200000000 ] - [ -0.0000036200000000, 0.0000026300000000, 0.0000274100000000 ] - [ -0.0000040300000000, 0.0000028300000000, -0.0004481200000000 ] - [ 0.0000449900000000, -0.0000042700000000, 0.0004746500000000 ] - [ 0.0000078400000000, -0.0000034500000000, 0.0002536900000000 ] - [ 0.0000079600000000, -0.0000040000000000, -0.0000289200000000 ] - [ 0.0000080800000000, -0.0000034700000000, 0.0001440600000000 ] - [ -0.0000033600000000, 0.0000033600000000, -0.0000203700000000 ] - [ 0.0000008200000000, -0.0000037600000000, -0.0005740800000000 ] - [ 0.0000086900000000, -0.0000041300000000, -0.0002654400000000 ] - [ -0.0000034100000000, 0.0000026400000000, -0.0003194100000000 ] - [ -0.0000042700000000, 0.0000033600000000, 0.0005806400000000 ] - [ 0.0000085400000000, -0.0000037700000000, -0.0001015800000000 ] - [ 0.0000076000000000, -0.0000037000000000, -0.0003249300000000 ] - [ -0.0000031600000000, 0.0000027700000000, 0.0001213300000000 ] - [ -0.0000037700000000, 0.0000032200000000, -0.0000647000000000 ] - [ 0.0000075400000000, -0.0000034100000000, 0.0003171600000000 ] - [ 0.0000073600000000, -0.0000030900000000, 0.0001562600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0032222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009334800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009245300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014948200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014478700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012882600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008426600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012096300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011090700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025119300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007763500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008491400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0570322600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014481300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010588500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011647900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010218100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014478300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012635900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012226300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009952400000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0026206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014188300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0943656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014830800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012412100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014449000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008442400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015992300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012919700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013051300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008932600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012616500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010926200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012998700000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000131400000000, -0.0000079400000000, 0.0002711500000000 ] - [ 0.0000167300000000, -0.0000081600000000, 0.0002256500000000 ] - [ 0.0000160500000000, -0.0000088100000000, -0.0002823500000000 ] - [ -0.0001924200000000, 0.0000041100000000, -0.0002468800000000 ] - [ 0.0000180400000000, -0.0000087900000000, -0.0002400100000000 ] - [ -0.0000132300000000, 0.0000089600000000, -0.0001723400000000 ] - [ -0.0000137300000000, 0.0000084000000000, -0.0001320200000000 ] - [ 0.0000162900000000, -0.0000078800000000, 0.0003284800000000 ] - [ 0.0000170700000000, -0.0000076400000000, -0.0000224600000000 ] - [ 0.0000180800000000, -0.0000088000000000, 0.0002826200000000 ] - [ 0.0000754900000000, -0.0000091700000000, 0.0001409300000000 ] - [ -0.0617578700000000, -0.0010034000000000, 0.0007143000000000 ] - [ -0.0000140000000000, 0.0000095500000000, -0.0003536300000000 ] - [ 0.0000164400000000, -0.0000082300000000, 0.0000150100000000 ] - [ -0.0000196700000000, 0.0000096000000000, -0.0003357700000000 ] - [ 0.0000145000000000, -0.0000078500000000, 0.0000110300000000 ] - [ 0.0000181700000000, -0.0000091800000000, 0.0000356600000000 ] - [ -0.0000132000000000, 0.0000093000000000, 0.0001827900000000 ] - [ 0.0000176000000000, -0.0000090600000000, -0.0003081000000000 ] - [ -0.0000130100000000, 0.0000089900000000, 0.0000316200000000 ] - [ -0.0000135100000000, 0.0000101000000000, 0.0000224500000000 ] - [ -0.0001351300000000, 0.0000094800000000, -0.0000632400000000 ] - [ 0.0000176500000000, -0.0000084500000000, -0.0000646000000000 ] - [ -0.0000127400000000, 0.0000092300000000, -0.0002707000000000 ] - [ -0.0000144100000000, 0.0000092600000000, -0.0000595100000000 ] - [ -0.0001841500000000, 0.0000015900000000, -0.0000928700000000 ] - [ 0.0003183600000000, 0.0000052400000000, 0.0000442500000000 ] - [ -0.0000034100000000, 0.0000040900000000, 0.0003740000000000 ] - [ 0.0017856700000000, -0.0000108900000000, 0.0000890000000000 ] - [ 0.0000068000000000, 0.0000040500000000, 0.0001414200000000 ] - [ 0.0000074600000000, -0.0000023700000000, -0.0002934000000000 ] - [ -0.0000036700000000, 0.0000043900000000, 0.0000921100000000 ] - [ -0.0000025400000000, 0.0000042300000000, 0.0000033000000000 ] - [ -0.0000034200000000, 0.0000040300000000, 0.0004483000000000 ] - [ 0.0000074500000000, -0.0000026200000000, 0.0001590800000000 ] - [ -0.0000035300000000, 0.0000040800000000, 0.0000229500000000 ] - [ -0.0000038400000000, 0.0000043500000000, -0.0004523300000000 ] - [ 0.0000076100000000, -0.0000024400000000, 0.0004727500000000 ] - [ 0.0000074300000000, -0.0000025000000000, 0.0002421200000000 ] - [ -0.0000513500000000, -0.0000027200000000, -0.0000098500000000 ] - [ 0.0000085700000000, -0.0000023000000000, 0.0001372800000000 ] - [ -0.0000041400000000, 0.0000040000000000, -0.0000060000000000 ] - [ 0.0608961100000000, 0.0009972000000000, -0.0011739500000000 ] - [ 0.0000080100000000, -0.0000027400000000, -0.0002581600000000 ] - [ -0.0000036000000000, 0.0000040200000000, -0.0003132700000000 ] - [ -0.0000038000000000, 0.0000043000000000, 0.0005816400000000 ] - [ 0.0000080300000000, -0.0000026900000000, -0.0000984500000000 ] - [ 0.0000077800000000, -0.0000020800000000, -0.0003242400000000 ] - [ -0.0000037400000000, 0.0000039500000000, 0.0001187000000000 ] - [ -0.0000035600000000, 0.0000043100000000, -0.0000701500000000 ] - [ 0.0000017000000000, -0.0000024600000000, 0.0003108200000000 ] - [ -0.0008585300000000, -0.0000016200000000, 0.0001448600000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013714100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026473000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009129400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010401300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011332000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0964116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011768400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013265200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012033600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010706900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007529800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569728800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015875800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010095800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014667600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012175700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008425600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002723100000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009372900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031696800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014011600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011879400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0938775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011567300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011413200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014688300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011439900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013504800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029567500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541066300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012833700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006775300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011729800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0332313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010494900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000097700000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000160100000000, -0.0000080800000000, 0.0002713700000000 ] - [ 0.0000160400000000, -0.0000083100000000, 0.0002275800000000 ] - [ -0.0008923100000000, 0.0000026700000000, -0.0002720700000000 ] - [ -0.0000149200000000, 0.0000091400000000, -0.0002414000000000 ] - [ 0.0000160800000000, -0.0000088500000000, -0.0002378600000000 ] - [ -0.0000138100000000, 0.0000088500000000, -0.0001699900000000 ] - [ -0.0000146600000000, 0.0000082900000000, -0.0001321100000000 ] - [ 0.0000146900000000, -0.0000079600000000, 0.0003282000000000 ] - [ 0.0000160800000000, -0.0000077200000000, -0.0000190900000000 ] - [ 0.0000169500000000, -0.0000089100000000, 0.0002850200000000 ] - [ 0.0000159100000000, -0.0000090300000000, 0.0001428300000000 ] - [ -0.0000142400000000, 0.0000093900000000, -0.0000295700000000 ] - [ -0.0614755400000000, -0.0009911400000000, 0.0003094400000000 ] - [ 0.0000166200000000, -0.0000083300000000, 0.0000171000000000 ] - [ -0.0000157800000000, 0.0000093300000000, -0.0003363600000000 ] - [ 0.0000058600000000, -0.0000077300000000, 0.0000126600000000 ] - [ 0.0000173400000000, -0.0000093000000000, 0.0000340800000000 ] - [ -0.0000199100000000, 0.0000093200000000, 0.0001822800000000 ] - [ 0.0000169300000000, -0.0000091400000000, -0.0003052800000000 ] - [ -0.0000157900000000, 0.0000088700000000, 0.0000303400000000 ] - [ -0.0000145000000000, 0.0000099800000000, 0.0000237000000000 ] - [ -0.0000142100000000, 0.0000090400000000, -0.0000634500000000 ] - [ -0.0001211100000000, -0.0000082100000000, -0.0000637900000000 ] - [ -0.0001850700000000, 0.0000039900000000, -0.0002696000000000 ] - [ -0.0001366700000000, 0.0000094900000000, -0.0000566000000000 ] - [ -0.0000143800000000, 0.0000093000000000, -0.0000991800000000 ] - [ -0.0000047300000000, 0.0000042900000000, 0.0000462800000000 ] - [ -0.0000049000000000, 0.0000038700000000, 0.0003797400000000 ] - [ 0.0000070900000000, -0.0000026800000000, 0.0002269400000000 ] - [ -0.0000045700000000, 0.0000038900000000, 0.0001352000000000 ] - [ -0.0000522100000000, -0.0000024200000000, -0.0002922300000000 ] - [ -0.0000045200000000, 0.0000041700000000, 0.0000955600000000 ] - [ -0.0000041300000000, 0.0000039400000000, 0.0000080600000000 ] - [ -0.0000048700000000, 0.0000039200000000, 0.0004500100000000 ] - [ 0.0000064200000000, -0.0000027200000000, 0.0001585200000000 ] - [ 0.0026240900000000, -0.0000196300000000, -0.0001015800000000 ] - [ -0.0000050000000000, 0.0000041500000000, -0.0004498900000000 ] - [ 0.0000070800000000, -0.0000026800000000, 0.0004745800000000 ] - [ 0.0000008000000000, -0.0000024800000000, 0.0002459200000000 ] - [ 0.0000071800000000, -0.0000027600000000, -0.0000134800000000 ] - [ 0.0000068700000000, -0.0000024100000000, 0.0001412300000000 ] - [ 0.0006340100000000, 0.0000025200000000, -0.0000063100000000 ] - [ 0.0000073600000000, -0.0000026700000000, -0.0005693700000000 ] - [ -0.0008557200000000, -0.0000020700000000, -0.0002563400000000 ] - [ -0.0000052900000000, 0.0000038000000000, -0.0003145600000000 ] - [ -0.0000050500000000, 0.0000042300000000, 0.0005815700000000 ] - [ 0.0000065700000000, -0.0000026900000000, -0.0000996200000000 ] - [ 0.0603713200000000, 0.0009884600000000, -0.0009234700000000 ] - [ -0.0000042400000000, 0.0000038500000000, 0.0001204500000000 ] - [ 0.0000529900000000, 0.0000041000000000, -0.0000670400000000 ] - [ 0.0000114300000000, -0.0000025400000000, 0.0003131800000000 ] - [ 0.0000064000000000, -0.0000023800000000, 0.0001483300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013772000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009130100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010370500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0961724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011673500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008367700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012042700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009209300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014751900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006816900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0562440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015755600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012405000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009871400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009215300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013193800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008208600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011809100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0921586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011280300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013326300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011980400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012725000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0537817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013767600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017334800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330649000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012565600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014736200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012863800000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001530700000000, -0.0000040400000000, 0.0002687100000000 ] - [ 0.0000163700000000, -0.0000094300000000, 0.0002270500000000 ] - [ 0.0000151100000000, -0.0000100700000000, -0.0002826700000000 ] - [ -0.0000143300000000, 0.0000080800000000, -0.0002417000000000 ] - [ 0.0000174500000000, -0.0000100100000000, -0.0002381500000000 ] - [ -0.0000219000000000, 0.0000079900000000, -0.0001702000000000 ] - [ -0.0009211400000000, -0.0000043600000000, -0.0001212900000000 ] - [ 0.0000160100000000, -0.0000090600000000, 0.0003269800000000 ] - [ 0.0000165000000000, -0.0000088800000000, -0.0000193000000000 ] - [ 0.0000181200000000, -0.0000100800000000, 0.0002846200000000 ] - [ -0.0001049300000000, -0.0000104000000000, 0.0001428900000000 ] - [ -0.0000135200000000, 0.0000082700000000, -0.0000291900000000 ] - [ -0.0000130400000000, 0.0000084100000000, -0.0003511000000000 ] - [ -0.0615118100000000, 0.0009941300000000, 0.0007010700000000 ] - [ -0.0000145300000000, 0.0000082200000000, -0.0003366700000000 ] - [ 0.0000164700000000, -0.0000090800000000, 0.0000128000000000 ] - [ 0.0000173100000000, -0.0000104000000000, 0.0000344800000000 ] - [ -0.0000131300000000, 0.0000080900000000, 0.0001806700000000 ] - [ 0.0000179300000000, -0.0000103000000000, -0.0003063000000000 ] - [ -0.0000135700000000, 0.0000077900000000, 0.0000303500000000 ] - [ -0.0001521600000000, 0.0000086200000000, 0.0000226700000000 ] - [ -0.0000130500000000, 0.0000079000000000, -0.0000643300000000 ] - [ 0.0000186000000000, -0.0000095700000000, -0.0000637300000000 ] - [ -0.0000123200000000, 0.0000080100000000, -0.0002675100000000 ] - [ -0.0000137000000000, 0.0000080900000000, -0.0000575000000000 ] - [ -0.0000223400000000, 0.0000082900000000, -0.0000994700000000 ] - [ -0.0000650200000000, 0.0000029500000000, 0.0000450200000000 ] - [ -0.0000035800000000, 0.0000028100000000, 0.0003729200000000 ] - [ 0.0000061500000000, -0.0000037700000000, 0.0002243100000000 ] - [ -0.0008655400000000, 0.0000020000000000, 0.0001364600000000 ] - [ 0.0000077800000000, -0.0000035300000000, -0.0002924300000000 ] - [ -0.0000031100000000, 0.0000031000000000, 0.0000960300000000 ] - [ 0.0603745100000000, -0.0009875200000000, -0.0005933300000000 ] - [ -0.0000035300000000, 0.0000028600000000, 0.0004507000000000 ] - [ 0.0006465700000000, -0.0000022700000000, 0.0001571800000000 ] - [ -0.0000038900000000, 0.0000027800000000, 0.0000239000000000 ] - [ -0.0000034200000000, 0.0000031200000000, -0.0004508000000000 ] - [ 0.0026371400000000, 0.0000196900000000, 0.0003488000000000 ] - [ 0.0000075400000000, -0.0000036600000000, 0.0002405400000000 ] - [ 0.0000082700000000, -0.0000038900000000, -0.0000163500000000 ] - [ 0.0000653900000000, -0.0000033200000000, 0.0001421600000000 ] - [ -0.0000042800000000, 0.0000028700000000, -0.0000094200000000 ] - [ 0.0000073000000000, -0.0000038300000000, -0.0005670900000000 ] - [ 0.0000080600000000, -0.0000039800000000, -0.0002566300000000 ] - [ -0.0000034400000000, 0.0000027400000000, -0.0003110400000000 ] - [ 0.0000008800000000, 0.0000030700000000, 0.0005825200000000 ] - [ 0.0000084000000000, -0.0000038400000000, -0.0000986200000000 ] - [ 0.0000076900000000, -0.0000034000000000, -0.0003200600000000 ] - [ -0.0000034200000000, 0.0000027800000000, 0.0001194200000000 ] - [ -0.0000032200000000, 0.0000031500000000, -0.0000665400000000 ] - [ 0.0000080000000000, -0.0000036100000000, 0.0003117300000000 ] - [ 0.0000074500000000, -0.0000035000000000, 0.0001474800000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0031454600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0959293900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008462800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012056900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010964400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010722100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009049200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014231300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0331844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009840100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015745400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0566980200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008826000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011553000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013664900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014101900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010188000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009530800000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0026251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014527700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013950500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027255900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011773400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011528300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011445600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009691000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011366300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012435500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012190200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013681000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008366100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327396600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0533301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013631300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011163500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008236300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017363400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010500300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012783000000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000159400000000, -0.0000080400000000, 0.0002702100000000 ] - [ 0.0000161000000000, -0.0000083000000000, 0.0002263300000000 ] - [ 0.0000151700000000, -0.0000089400000000, -0.0002826000000000 ] - [ -0.0001377600000000, 0.0000092400000000, -0.0002430800000000 ] - [ 0.0000150600000000, -0.0000089200000000, -0.0002398800000000 ] - [ -0.0000141200000000, 0.0000088600000000, -0.0001722300000000 ] - [ -0.0000144400000000, 0.0000083100000000, -0.0001331100000000 ] - [ 0.0000151100000000, -0.0000079900000000, 0.0003283400000000 ] - [ 0.0000158200000000, -0.0000077200000000, -0.0000209200000000 ] - [ 0.0000167700000000, -0.0000088900000000, 0.0002830600000000 ] - [ 0.0000147700000000, -0.0000090900000000, 0.0001417100000000 ] - [ -0.0000195700000000, 0.0000095800000000, -0.0000314700000000 ] - [ -0.0000155800000000, 0.0000094500000000, -0.0003528300000000 ] - [ 0.0000155100000000, -0.0000083500000000, 0.0000154200000000 ] - [ -0.0613462900000000, -0.0009923700000000, 0.0004021700000000 ] - [ -0.0008924000000000, -0.0000097600000000, 0.0000111500000000 ] - [ 0.0000168700000000, -0.0000093100000000, 0.0000337400000000 ] - [ -0.0000149400000000, 0.0000091800000000, 0.0001821000000000 ] - [ 0.0000166900000000, -0.0000091400000000, -0.0003068700000000 ] - [ -0.0000144000000000, 0.0000088900000000, 0.0000297900000000 ] - [ -0.0000159500000000, 0.0000099400000000, 0.0000224200000000 ] - [ -0.0001954500000000, 0.0000012700000000, -0.0000561800000000 ] - [ 0.0000765600000000, -0.0000092200000000, -0.0000637800000000 ] - [ -0.0000146000000000, 0.0000091300000000, -0.0002695000000000 ] - [ -0.0000150000000000, 0.0000091600000000, -0.0000578800000000 ] - [ -0.0000162700000000, 0.0000092700000000, -0.0001006300000000 ] - [ -0.0000048400000000, 0.0000041900000000, 0.0000452500000000 ] - [ -0.0000051700000000, 0.0000038400000000, 0.0003772100000000 ] - [ 0.0000102800000000, -0.0000027700000000, 0.0002246700000000 ] - [ -0.0000046800000000, 0.0000039400000000, 0.0001333700000000 ] - [ 0.0000065200000000, -0.0000025000000000, -0.0002921200000000 ] - [ -0.0000049200000000, 0.0000041800000000, 0.0000883700000000 ] - [ -0.0000046600000000, 0.0000038900000000, 0.0000066500000000 ] - [ -0.0000048500000000, 0.0000038900000000, 0.0004486600000000 ] - [ 0.0000065400000000, -0.0000027000000000, 0.0001549300000000 ] - [ -0.0000043300000000, 0.0000037800000000, 0.0000266700000000 ] - [ -0.0000055200000000, 0.0000040800000000, -0.0004512400000000 ] - [ 0.0000066800000000, -0.0000027100000000, 0.0004753700000000 ] - [ 0.0000067300000000, -0.0000025100000000, 0.0002452100000000 ] - [ 0.0018120100000000, -0.0000117400000000, -0.0001499800000000 ] - [ 0.0000070400000000, -0.0000023200000000, 0.0001386000000000 ] - [ -0.0000124600000000, 0.0000036600000000, -0.0000124300000000 ] - [ 0.0000488100000000, -0.0000026900000000, -0.0005727100000000 ] - [ 0.0000070200000000, -0.0000029400000000, -0.0002611200000000 ] - [ -0.0000052000000000, 0.0000038200000000, -0.0003143500000000 ] - [ -0.0000052300000000, 0.0000042500000000, 0.0005839300000000 ] - [ 0.0000068400000000, -0.0000027700000000, -0.0000974200000000 ] - [ 0.0000060500000000, -0.0000023400000000, -0.0003257600000000 ] - [ -0.0000047400000000, 0.0000037800000000, 0.0001187700000000 ] - [ 0.0001681500000000, -0.0000007200000000, -0.0000649400000000 ] - [ 0.0599762100000000, 0.0009969700000000, -0.0002911100000000 ] - [ 0.0004741000000000, -0.0000018200000000, 0.0001500500000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009163500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010374200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010403500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014934500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0969531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013427600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008523500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011905700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011208100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007572900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010059700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568656200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017342500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333356000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009457100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014736000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015311300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013309000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013088600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010377200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015201200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0932173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026094600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011381600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012161600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015087400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013972100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008572000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007039000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0544919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006182900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009080700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017519100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012779800000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000161100000000, -0.0000089100000000, 0.0002727700000000 ] - [ 0.0000152500000000, -0.0000092900000000, 0.0002253300000000 ] - [ -0.0001078700000000, -0.0000102200000000, -0.0002829700000000 ] - [ -0.0000247100000000, 0.0000084000000000, -0.0002464700000000 ] - [ 0.0000158200000000, -0.0000098900000000, -0.0002411100000000 ] - [ -0.0000142900000000, 0.0000078500000000, -0.0001738100000000 ] - [ -0.0000161600000000, 0.0000072400000000, -0.0001326400000000 ] - [ 0.0000140000000000, -0.0000090500000000, 0.0003314900000000 ] - [ 0.0000151100000000, -0.0000087300000000, -0.0000238300000000 ] - [ 0.0000161400000000, -0.0000098400000000, 0.0002816800000000 ] - [ 0.0000151100000000, -0.0000100700000000, 0.0001412100000000 ] - [ -0.0000163000000000, 0.0000083600000000, -0.0000323900000000 ] - [ -0.0000247800000000, 0.0000085700000000, -0.0003548600000000 ] - [ 0.0000156300000000, -0.0000093500000000, 0.0000141900000000 ] - [ -0.0009234100000000, -0.0000032400000000, -0.0003255700000000 ] - [ -0.0614367900000000, 0.0009880100000000, 0.0007414200000000 ] - [ 0.0000159700000000, -0.0000102800000000, 0.0000359700000000 ] - [ -0.0000148300000000, 0.0000081500000000, 0.0001855200000000 ] - [ 0.0000157500000000, -0.0000101100000000, -0.0003091400000000 ] - [ -0.0000157100000000, 0.0000078800000000, 0.0000317900000000 ] - [ -0.0000153700000000, 0.0000089900000000, 0.0000241100000000 ] - [ -0.0001533500000000, 0.0000078100000000, -0.0000621500000000 ] - [ -0.0001529600000000, -0.0000043300000000, -0.0000649400000000 ] - [ -0.0000156900000000, 0.0000081000000000, -0.0002710500000000 ] - [ -0.0000159400000000, 0.0000082400000000, -0.0000600000000000 ] - [ -0.0000159600000000, 0.0000082800000000, -0.0001020200000000 ] - [ -0.0000059800000000, 0.0000034500000000, 0.0000427900000000 ] - [ -0.0000057300000000, 0.0000030500000000, 0.0003778300000000 ] - [ 0.0000065600000000, -0.0000032800000000, 0.0002185200000000 ] - [ -0.0000058400000000, 0.0000028300000000, 0.0001457500000000 ] - [ 0.0000056900000000, -0.0000034900000000, -0.0002954600000000 ] - [ -0.0000053800000000, 0.0000033700000000, 0.0000913200000000 ] - [ -0.0000056100000000, 0.0000032300000000, 0.0000023200000000 ] - [ -0.0000049700000000, 0.0000027900000000, 0.0004463300000000 ] - [ 0.0000059300000000, -0.0000037400000000, 0.0001631400000000 ] - [ -0.0000667400000000, 0.0000029100000000, 0.0000216400000000 ] - [ -0.0000057600000000, 0.0000032300000000, -0.0004532200000000 ] - [ 0.0000058300000000, -0.0000034600000000, 0.0004718100000000 ] - [ 0.0000058400000000, -0.0000036900000000, 0.0002466600000000 ] - [ 0.0006447500000000, -0.0000022300000000, -0.0000048400000000 ] - [ 0.0000062300000000, -0.0000034400000000, 0.0001352400000000 ] - [ -0.0008681300000000, 0.0000021000000000, 0.0000010100000000 ] - [ 0.0000110000000000, -0.0000035800000000, -0.0005694800000000 ] - [ 0.0000056900000000, -0.0000038200000000, -0.0002562900000000 ] - [ -0.0000058000000000, 0.0000029800000000, -0.0003144600000000 ] - [ -0.0000053900000000, 0.0000031500000000, 0.0005805100000000 ] - [ 0.0000062500000000, -0.0000038200000000, -0.0000983800000000 ] - [ 0.0000039300000000, -0.0000030400000000, -0.0003258600000000 ] - [ -0.0000055400000000, 0.0000029000000000, 0.0001187700000000 ] - [ 0.0603957800000000, -0.0009874200000000, -0.0006739900000000 ] - [ 0.0026331600000000, 0.0000199400000000, 0.0001841500000000 ] - [ 0.0000634800000000, -0.0000034900000000, 0.0001416900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013944500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010090500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014070800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007951300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011411700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0943179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008074200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011463400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011723100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010122500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014528300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012055900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017243100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014079700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014621200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014885800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010389400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0565641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010339200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015127100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0919876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011150700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029444700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015069800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012611700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012984500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016428100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013791800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005952800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009030200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0535357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013252300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000162100000000, -0.0000091700000000, 0.0002720900000000 ] - [ 0.0000102100000000, -0.0000092000000000, 0.0002271500000000 ] - [ 0.0000152500000000, -0.0000100300000000, -0.0002815400000000 ] - [ -0.0000150000000000, 0.0000080900000000, -0.0002413200000000 ] - [ 0.0000166000000000, -0.0000100300000000, -0.0002381000000000 ] - [ -0.0009211100000000, 0.0000095700000000, -0.0001697400000000 ] - [ -0.0000138500000000, 0.0000072700000000, -0.0001306700000000 ] - [ -0.0001666400000000, -0.0000013100000000, 0.0003367400000000 ] - [ 0.0000159200000000, -0.0000088400000000, -0.0000192200000000 ] - [ -0.0001050700000000, -0.0000100900000000, 0.0002841600000000 ] - [ 0.0000160800000000, -0.0000101600000000, 0.0001437000000000 ] - [ -0.0000133500000000, 0.0000083000000000, -0.0000288900000000 ] - [ -0.0000139600000000, 0.0000083800000000, -0.0003510300000000 ] - [ 0.0000157300000000, -0.0000094100000000, 0.0000174500000000 ] - [ -0.0000146900000000, 0.0000082600000000, -0.0003350900000000 ] - [ 0.0000152600000000, -0.0000090500000000, 0.0000134700000000 ] - [ -0.0613388600000000, 0.0009942700000000, 0.0006937400000000 ] - [ -0.0000137000000000, 0.0000080800000000, 0.0001827200000000 ] - [ 0.0000155100000000, -0.0000102500000000, -0.0003057800000000 ] - [ -0.0000146800000000, 0.0000077700000000, 0.0000314000000000 ] - [ 0.0000446600000000, 0.0000093800000000, 0.0000247200000000 ] - [ -0.0000136300000000, 0.0000079700000000, -0.0000631300000000 ] - [ 0.0000175900000000, -0.0000095600000000, -0.0000631200000000 ] - [ -0.0000138800000000, 0.0000080200000000, -0.0002678900000000 ] - [ -0.0000153000000000, 0.0000080900000000, -0.0000570100000000 ] - [ -0.0000149300000000, 0.0000081800000000, -0.0000992600000000 ] - [ -0.0000047000000000, 0.0000032400000000, 0.0000451300000000 ] - [ 0.0018049300000000, 0.0000118000000000, 0.0002460600000000 ] - [ 0.0000075500000000, -0.0000035100000000, 0.0002209900000000 ] - [ -0.0000044100000000, 0.0000027400000000, 0.0001429300000000 ] - [ 0.0000069400000000, -0.0000036000000000, -0.0002923000000000 ] - [ -0.0000043000000000, 0.0000031800000000, 0.0000938700000000 ] - [ -0.0000041600000000, 0.0000030300000000, 0.0000050800000000 ] - [ 0.0004635600000000, 0.0000023300000000, 0.0004506400000000 ] - [ -0.0000004500000000, -0.0000035000000000, 0.0001610800000000 ] - [ -0.0000041400000000, 0.0000028900000000, 0.0000241400000000 ] - [ 0.0000376600000000, 0.0000030900000000, -0.0004509500000000 ] - [ 0.0000075100000000, -0.0000036200000000, 0.0004742400000000 ] - [ 0.0000069300000000, -0.0000037100000000, 0.0002446200000000 ] - [ 0.0000074700000000, -0.0000039200000000, -0.0000087700000000 ] - [ 0.0001797700000000, 0.0000013300000000, 0.0001417800000000 ] - [ -0.0000048500000000, 0.0000028200000000, -0.0000038400000000 ] - [ 0.0000068500000000, -0.0000037400000000, -0.0005687400000000 ] - [ 0.0000075600000000, -0.0000039500000000, -0.0002560700000000 ] - [ -0.0000041300000000, 0.0000028300000000, -0.0003118800000000 ] - [ 0.0599603200000000, -0.0009956400000000, -0.0000226100000000 ] - [ 0.0000078000000000, -0.0000038800000000, -0.0000964200000000 ] - [ 0.0000067500000000, -0.0000032900000000, -0.0003231000000000 ] - [ -0.0000006000000000, 0.0000027700000000, 0.0001201700000000 ] - [ -0.0000036900000000, 0.0000031200000000, -0.0000689200000000 ] - [ 0.0000068500000000, -0.0000036900000000, 0.0003124600000000 ] - [ 0.0000066200000000, -0.0000036500000000, 0.0001448500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011390800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008480800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0969870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008641000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012169200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011083500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010662500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0572320200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014361700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016161600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007670600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011473000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0336129600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014673600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009954900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027953400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015157400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015161200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0936680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014755700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012354400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012195700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012633000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540585600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008537700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011226700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008503300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011080300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013034900000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000163700000000, -0.0000080900000000, 0.0002689600000000 ] - [ 0.0000162100000000, -0.0000083200000000, 0.0002275900000000 ] - [ 0.0000153900000000, -0.0000088800000000, -0.0002808700000000 ] - [ -0.0000150500000000, 0.0000091000000000, -0.0002443500000000 ] - [ -0.0001212200000000, -0.0000085300000000, -0.0002379600000000 ] - [ -0.0000129400000000, 0.0000088800000000, -0.0001716600000000 ] - [ -0.0000125600000000, 0.0000084300000000, -0.0001308800000000 ] - [ 0.0000166800000000, -0.0000079000000000, 0.0003294100000000 ] - [ 0.0000128800000000, -0.0000077200000000, -0.0000189800000000 ] - [ 0.0000178000000000, -0.0000089600000000, 0.0002840200000000 ] - [ 0.0000169800000000, -0.0000089100000000, 0.0001438300000000 ] - [ -0.0000127400000000, 0.0000094400000000, -0.0000301000000000 ] - [ -0.0000193200000000, 0.0000096600000000, -0.0003516600000000 ] - [ 0.0000170800000000, -0.0000082500000000, 0.0000167300000000 ] - [ -0.0000146000000000, 0.0000093300000000, -0.0003332800000000 ] - [ 0.0000163800000000, -0.0000079200000000, 0.0000113000000000 ] - [ 0.0000181500000000, -0.0000093400000000, 0.0000346200000000 ] - [ -0.0616953600000000, -0.0009957100000000, 0.0008812300000000 ] - [ 0.0000150500000000, -0.0000091800000000, -0.0003067100000000 ] - [ -0.0001967400000000, 0.0000037300000000, 0.0000282400000000 ] - [ -0.0000134600000000, 0.0000100000000000, 0.0000237800000000 ] - [ -0.0000124100000000, 0.0000090500000000, -0.0000623300000000 ] - [ 0.0000181200000000, -0.0000084600000000, -0.0000639100000000 ] - [ -0.0001353700000000, 0.0000092400000000, -0.0002688000000000 ] - [ -0.0001943500000000, 0.0000014200000000, -0.0000494900000000 ] - [ -0.0000133600000000, 0.0000093800000000, -0.0000977100000000 ] - [ -0.0000035400000000, 0.0000040500000000, 0.0000458600000000 ] - [ -0.0000033100000000, 0.0000037200000000, 0.0003791700000000 ] - [ 0.0000078600000000, -0.0000031100000000, 0.0002334000000000 ] - [ -0.0000036300000000, 0.0000040700000000, 0.0001206000000000 ] - [ 0.0018462500000000, -0.0000111100000000, -0.0004226500000000 ] - [ -0.0000414500000000, 0.0000042700000000, 0.0000932500000000 ] - [ -0.0000027300000000, 0.0000037500000000, 0.0000145600000000 ] - [ -0.0000043700000000, 0.0000039300000000, 0.0004499700000000 ] - [ 0.0000077900000000, -0.0000026300000000, 0.0001512200000000 ] - [ -0.0000005600000000, 0.0000037700000000, 0.0000249900000000 ] - [ -0.0000041900000000, 0.0000040900000000, -0.0004496000000000 ] - [ 0.0000080200000000, -0.0000029300000000, 0.0004734100000000 ] - [ 0.0607874900000000, 0.0009956700000000, -0.0003571300000000 ] - [ 0.0000081600000000, -0.0000028800000000, -0.0000248200000000 ] - [ 0.0000077800000000, -0.0000024600000000, 0.0001442100000000 ] - [ -0.0000037900000000, 0.0000042500000000, -0.0000155300000000 ] - [ 0.0000081200000000, -0.0000028700000000, -0.0005679900000000 ] - [ 0.0004752200000000, -0.0000025100000000, -0.0002606500000000 ] - [ -0.0000086900000000, 0.0000039400000000, -0.0003156000000000 ] - [ -0.0000041500000000, 0.0000043000000000, 0.0005812900000000 ] - [ -0.0008611100000000, -0.0000020700000000, -0.0000993400000000 ] - [ 0.0000495800000000, -0.0000024100000000, -0.0003208800000000 ] - [ -0.0000040300000000, 0.0000040000000000, 0.0001202200000000 ] - [ -0.0000033700000000, 0.0000043400000000, -0.0000648100000000 ] - [ 0.0000081000000000, -0.0000024200000000, 0.0003133600000000 ] - [ 0.0000069300000000, -0.0000022200000000, 0.0001524500000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014664100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011330900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014225900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008015600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008173100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011886500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0957572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008397800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029226200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010768400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011119000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009877600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0563854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333679100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014567300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000223300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014954500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010224900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008457200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009971300000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008693700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013037500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008493900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010081900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011658100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011167900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011159700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011152700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0927500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011952500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0545608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011388400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011473300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017470900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008695200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012982300000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000164400000000, -0.0000091500000000, 0.0002697900000000 ] - [ -0.0001641900000000, -0.0000042200000000, 0.0002240300000000 ] - [ 0.0000166000000000, -0.0000099900000000, -0.0002841400000000 ] - [ -0.0000147300000000, 0.0000081200000000, -0.0002427100000000 ] - [ -0.0001043000000000, -0.0000100300000000, -0.0002398500000000 ] - [ -0.0000129500000000, 0.0000077700000000, -0.0001707100000000 ] - [ -0.0000122300000000, 0.0000073100000000, -0.0001332300000000 ] - [ 0.0000106700000000, -0.0000090000000000, 0.0003264600000000 ] - [ -0.0001628000000000, -0.0000010900000000, -0.0000126100000000 ] - [ -0.0001039700000000, -0.0000103300000000, 0.0002837400000000 ] - [ 0.0000172500000000, -0.0000101200000000, 0.0001415300000000 ] - [ -0.0000126000000000, 0.0000083200000000, -0.0000307500000000 ] - [ -0.0000129300000000, 0.0000084500000000, -0.0003524500000000 ] - [ 0.0000177900000000, -0.0000094100000000, 0.0000162000000000 ] - [ -0.0000135300000000, 0.0000082600000000, -0.0003379900000000 ] - [ 0.0000165000000000, -0.0000090100000000, 0.0000116800000000 ] - [ 0.0000168200000000, -0.0000103800000000, 0.0000330300000000 ] - [ -0.0000152900000000, 0.0000081800000000, 0.0001801700000000 ] - [ -0.0616594000000000, 0.0009967600000000, 0.0004466900000000 ] - [ -0.0000128000000000, 0.0000078000000000, 0.0000287500000000 ] - [ -0.0000132700000000, 0.0000088800000000, 0.0000220100000000 ] - [ -0.0000126100000000, 0.0000080100000000, -0.0000649400000000 ] - [ 0.0000187800000000, -0.0000095700000000, -0.0000648500000000 ] - [ -0.0000128200000000, 0.0000080600000000, -0.0002687600000000 ] - [ -0.0000138500000000, 0.0000081100000000, -0.0000582000000000 ] - [ -0.0000130200000000, 0.0000081800000000, -0.0001009200000000 ] - [ -0.0000037900000000, 0.0000030900000000, 0.0000449000000000 ] - [ -0.0000093200000000, 0.0000027600000000, 0.0003737300000000 ] - [ 0.0000080300000000, -0.0000039600000000, 0.0002236200000000 ] - [ -0.0000036500000000, 0.0000027900000000, 0.0001304800000000 ] - [ 0.0000079400000000, -0.0000035600000000, -0.0002926800000000 ] - [ 0.0004637300000000, 0.0000026200000000, 0.0000936300000000 ] - [ -0.0000029500000000, 0.0000027700000000, 0.0000081200000000 ] - [ -0.0000628400000000, 0.0000029100000000, 0.0004499200000000 ] - [ 0.0000072600000000, -0.0000038000000000, 0.0001535400000000 ] - [ -0.0000041000000000, 0.0000028100000000, 0.0000230100000000 ] - [ -0.0008696500000000, 0.0000023800000000, -0.0004497500000000 ] - [ 0.0000085300000000, -0.0000039000000000, 0.0004736500000000 ] - [ 0.0000092300000000, -0.0000036400000000, 0.0002420400000000 ] - [ 0.0000085900000000, -0.0000039700000000, -0.0000176800000000 ] - [ 0.0000082400000000, -0.0000034300000000, 0.0001415600000000 ] - [ -0.0000035400000000, 0.0000029900000000, -0.0000116200000000 ] - [ 0.0000083200000000, -0.0000038200000000, -0.0005705200000000 ] - [ 0.0000084100000000, -0.0000040700000000, -0.0002593900000000 ] - [ 0.0018356500000000, 0.0000114000000000, -0.0004446600000000 ] - [ -0.0000045400000000, 0.0000032400000000, 0.0005806400000000 ] - [ 0.0000452000000000, -0.0000038800000000, -0.0001004300000000 ] - [ 0.0000074900000000, -0.0000035200000000, -0.0003224800000000 ] - [ 0.0607618700000000, -0.0009943000000000, -0.0004833500000000 ] - [ -0.0000029700000000, 0.0000031700000000, -0.0000679200000000 ] - [ 0.0000077700000000, -0.0000035800000000, 0.0003119100000000 ] - [ 0.0000075200000000, -0.0000034200000000, 0.0001477700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009694800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029003100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010809600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011279600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010115200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0563664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005722100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014707600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008429400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009937600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013168600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010170000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011274400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014937000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009678200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011403700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013791900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012880800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011174000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0545721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008351000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325961800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014660200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012958400000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000173000000000, -0.0000080700000000, 0.0002642300000000 ] - [ 0.0000160600000000, -0.0000082500000000, 0.0002284100000000 ] - [ 0.0000151600000000, -0.0000088500000000, -0.0002776300000000 ] - [ -0.0000138800000000, 0.0000091600000000, -0.0002451200000000 ] - [ -0.0008903000000000, -0.0000106100000000, -0.0002415400000000 ] - [ -0.0000125900000000, 0.0000089900000000, -0.0001753700000000 ] - [ -0.0000136500000000, 0.0000086200000000, -0.0001285600000000 ] - [ 0.0000161800000000, -0.0000078000000000, 0.0003329500000000 ] - [ 0.0000756300000000, -0.0000084000000000, -0.0000205500000000 ] - [ 0.0000172600000000, -0.0000090200000000, 0.0002820800000000 ] - [ 0.0000169900000000, -0.0000086400000000, 0.0001458800000000 ] - [ -0.0000123000000000, 0.0000096500000000, -0.0000293800000000 ] - [ -0.0000149400000000, 0.0000098100000000, -0.0003524600000000 ] - [ 0.0000168900000000, -0.0000080500000000, 0.0000154200000000 ] - [ -0.0000140100000000, 0.0000093900000000, -0.0003302400000000 ] - [ 0.0000156700000000, -0.0000079700000000, 0.0000081000000000 ] - [ 0.0000177800000000, -0.0000093200000000, 0.0000351800000000 ] - [ -0.0001968500000000, 0.0000014600000000, 0.0001946200000000 ] - [ 0.0000180400000000, -0.0000092600000000, -0.0003084400000000 ] - [ -0.0614078800000000, -0.0009991700000000, 0.0007774900000000 ] - [ -0.0000137300000000, 0.0000101600000000, 0.0000200400000000 ] - [ -0.0000138800000000, 0.0000090500000000, -0.0000637800000000 ] - [ 0.0000184400000000, -0.0000084200000000, -0.0000677700000000 ] - [ -0.0000185800000000, 0.0000096400000000, -0.0002694400000000 ] - [ -0.0001362400000000, 0.0000094400000000, -0.0000599800000000 ] - [ -0.0000127700000000, 0.0000096400000000, -0.0000955100000000 ] - [ -0.0000039200000000, 0.0000037500000000, 0.0000508000000000 ] - [ -0.0000031700000000, 0.0000037300000000, 0.0003513000000000 ] - [ 0.0000081200000000, -0.0000032000000000, 0.0002405600000000 ] - [ -0.0000039000000000, 0.0000043800000000, 0.0001000100000000 ] - [ 0.0004758600000000, -0.0000018700000000, -0.0002901000000000 ] - [ 0.0001688200000000, -0.0000008500000000, 0.0001047600000000 ] - [ -0.0000032800000000, 0.0000034800000000, 0.0000214500000000 ] - [ -0.0000036100000000, 0.0000045900000000, 0.0004532900000000 ] - [ 0.0000077100000000, -0.0000025800000000, 0.0001313700000000 ] - [ -0.0000038200000000, 0.0000039800000000, 0.0000284400000000 ] - [ -0.0000045800000000, 0.0000044700000000, -0.0004475800000000 ] - [ 0.0000087000000000, -0.0000032900000000, 0.0004761400000000 ] - [ 0.0018241200000000, -0.0000109100000000, 0.0000910600000000 ] - [ 0.0000083600000000, -0.0000027000000000, -0.0000544500000000 ] - [ 0.0000080900000000, -0.0000023100000000, 0.0001597500000000 ] - [ -0.0000033000000000, 0.0000044900000000, -0.0000363000000000 ] - [ 0.0000077200000000, -0.0000027300000000, -0.0005505800000000 ] - [ 0.0000508800000000, -0.0000028100000000, -0.0002575100000000 ] - [ -0.0000108500000000, 0.0000035600000000, -0.0003060200000000 ] - [ -0.0000042400000000, 0.0000046000000000, 0.0005787600000000 ] - [ 0.0599672400000000, 0.0009966200000000, -0.0007107400000000 ] - [ 0.0000113200000000, -0.0000027300000000, -0.0003074100000000 ] - [ -0.0000031400000000, 0.0000042400000000, 0.0001187900000000 ] - [ -0.0000036700000000, 0.0000047800000000, -0.0000507300000000 ] - [ 0.0000078200000000, -0.0000021700000000, 0.0003099800000000 ] - [ 0.0000069100000000, -0.0000016900000000, 0.0001563500000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014439800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011699900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031325400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013993400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006761600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0570758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010039100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011527500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017069100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014907600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329188300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014797200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010373000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010001700000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013467900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013240100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011550300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027058500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0942204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011553400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012321900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015081700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008224900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011834200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008813400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327160400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012685000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012890500000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000122700000000, -0.0000080100000000, 0.0002720300000000 ] - [ 0.0000151600000000, -0.0000083200000000, 0.0002278900000000 ] - [ 0.0000151700000000, -0.0000088800000000, -0.0002809100000000 ] - [ -0.0000153700000000, 0.0000092300000000, -0.0002405100000000 ] - [ 0.0000164800000000, -0.0000088400000000, -0.0002384200000000 ] - [ -0.0001841900000000, 0.0000011000000000, -0.0001624700000000 ] - [ -0.0001957100000000, 0.0000031500000000, -0.0001333600000000 ] - [ 0.0000114300000000, -0.0000079600000000, 0.0003297800000000 ] - [ 0.0000158500000000, -0.0000077000000000, -0.0000193200000000 ] - [ 0.0000164500000000, -0.0000088800000000, 0.0002847100000000 ] - [ 0.0000143600000000, -0.0000090300000000, 0.0001433200000000 ] - [ -0.0000136500000000, 0.0000094000000000, -0.0000295500000000 ] - [ -0.0000144300000000, 0.0000094800000000, -0.0003515100000000 ] - [ -0.0001223000000000, -0.0000080100000000, 0.0000172000000000 ] - [ -0.0000161700000000, 0.0000093300000000, -0.0003346000000000 ] - [ 0.0000153500000000, -0.0000079300000000, 0.0000131400000000 ] - [ 0.0000760500000000, -0.0000094500000000, 0.0000344600000000 ] - [ -0.0000140400000000, 0.0000092100000000, 0.0001840400000000 ] - [ 0.0000167100000000, -0.0000091200000000, -0.0003052500000000 ] - [ -0.0000143500000000, 0.0000089000000000, 0.0000314100000000 ] - [ -0.0616874600000000, -0.0009976100000000, 0.0006751600000000 ] - [ -0.0000133400000000, 0.0000090500000000, -0.0000626500000000 ] - [ 0.0000180400000000, -0.0000084100000000, -0.0000628800000000 ] - [ -0.0000138900000000, 0.0000091500000000, -0.0002678500000000 ] - [ -0.0000145000000000, 0.0000092700000000, -0.0000562700000000 ] - [ -0.0000149000000000, 0.0000093000000000, -0.0000985600000000 ] - [ -0.0000052900000000, 0.0000042000000000, 0.0000461700000000 ] - [ 0.0000058000000000, 0.0000040000000000, 0.0003789600000000 ] - [ 0.0000071800000000, -0.0000027400000000, 0.0002268600000000 ] - [ -0.0000095600000000, 0.0000039400000000, 0.0001352300000000 ] - [ 0.0000069000000000, -0.0000024600000000, -0.0002915400000000 ] - [ -0.0000041800000000, 0.0000042600000000, 0.0000904100000000 ] - [ -0.0000420100000000, 0.0000040800000000, 0.0000071900000000 ] - [ -0.0000037400000000, 0.0000039300000000, 0.0004506500000000 ] - [ 0.0608675700000000, 0.0009967700000000, -0.0004466900000000 ] - [ -0.0000046900000000, 0.0000039300000000, 0.0000289100000000 ] - [ -0.0000049100000000, 0.0000041900000000, -0.0004502100000000 ] - [ -0.0008626000000000, -0.0000020300000000, 0.0004786200000000 ] - [ 0.0000069900000000, -0.0000024900000000, 0.0002481700000000 ] - [ 0.0000071200000000, -0.0000027700000000, -0.0000171600000000 ] - [ 0.0017842800000000, -0.0000109100000000, 0.0000092500000000 ] - [ -0.0000048200000000, 0.0000040600000000, -0.0000102700000000 ] - [ 0.0000069300000000, -0.0000027200000000, -0.0005713100000000 ] - [ 0.0000071900000000, -0.0000028800000000, -0.0002587600000000 ] - [ -0.0000047200000000, 0.0000039300000000, -0.0003126400000000 ] - [ 0.0003178300000000, 0.0000050700000000, 0.0005869100000000 ] - [ 0.0000076600000000, -0.0000027800000000, -0.0000952700000000 ] - [ 0.0000067600000000, -0.0000023100000000, -0.0003250800000000 ] - [ -0.0000040600000000, 0.0000039200000000, 0.0001205700000000 ] - [ -0.0000039600000000, 0.0000042800000000, -0.0000669000000000 ] - [ 0.0000065800000000, -0.0000025100000000, 0.0003180800000000 ] - [ 0.0000067200000000, -0.0000023600000000, 0.0001508300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008828200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009154600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011304100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013154200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007987900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008318400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966774600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011081600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011112300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010978100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010487100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006942800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015800600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012310400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010037300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008972600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009233800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011765600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010307600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015050000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0933375600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012139000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015167200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012844800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011838600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003266500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008341000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017275500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012840800000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000156700000000, -0.0000079800000000, 0.0002690500000000 ] - [ 0.0000154300000000, -0.0000082300000000, 0.0002242200000000 ] - [ 0.0000125400000000, -0.0000089500000000, -0.0002847000000000 ] - [ -0.0001949900000000, 0.0000015200000000, -0.0002366200000000 ] - [ 0.0000161900000000, -0.0000088300000000, -0.0002424400000000 ] - [ -0.0000149100000000, 0.0000088700000000, -0.0001741500000000 ] - [ -0.0000151000000000, 0.0000083500000000, -0.0001344600000000 ] - [ 0.0000155700000000, -0.0000079400000000, 0.0003277500000000 ] - [ 0.0000159300000000, -0.0000075900000000, -0.0000236800000000 ] - [ 0.0000176300000000, -0.0000088200000000, 0.0002803500000000 ] - [ 0.0000151700000000, -0.0000089600000000, 0.0001396300000000 ] - [ -0.0001363800000000, 0.0000095200000000, -0.0000334900000000 ] - [ -0.0000151900000000, 0.0000095000000000, -0.0003550700000000 ] - [ 0.0000157200000000, -0.0000082600000000, 0.0000136700000000 ] - [ -0.0001966400000000, 0.0000042400000000, -0.0003404700000000 ] - [ -0.0001236900000000, -0.0000075800000000, 0.0000095700000000 ] - [ 0.0000166300000000, -0.0000092400000000, 0.0000332900000000 ] - [ -0.0000141300000000, 0.0000092500000000, 0.0001818700000000 ] - [ 0.0000162700000000, -0.0000090800000000, -0.0003096900000000 ] - [ -0.0000155900000000, 0.0000088600000000, 0.0000291200000000 ] - [ -0.0000144400000000, 0.0000100400000000, 0.0000206000000000 ] - [ -0.0617018800000000, -0.0010010700000000, 0.0007607100000000 ] - [ 0.0000132700000000, -0.0000083700000000, -0.0000656100000000 ] - [ -0.0000140300000000, 0.0000091800000000, -0.0002717600000000 ] - [ -0.0000154100000000, 0.0000092700000000, -0.0000607400000000 ] - [ -0.0000208600000000, 0.0000095200000000, -0.0001034400000000 ] - [ -0.0000020200000000, 0.0000044800000000, 0.0000417800000000 ] - [ -0.0000049500000000, 0.0000040800000000, 0.0003737900000000 ] - [ 0.0000488200000000, -0.0000022100000000, 0.0002178100000000 ] - [ -0.0000049100000000, 0.0000038800000000, 0.0001420500000000 ] - [ 0.0000066500000000, -0.0000024200000000, -0.0002963900000000 ] - [ -0.0000045200000000, 0.0000043600000000, 0.0000891000000000 ] - [ -0.0000044700000000, 0.0000042600000000, 0.0000013100000000 ] - [ -0.0000045000000000, 0.0000039000000000, 0.0004459300000000 ] - [ 0.0000063700000000, -0.0000027000000000, 0.0001595000000000 ] - [ -0.0000054200000000, 0.0000041000000000, 0.0000210900000000 ] - [ -0.0000053700000000, 0.0000043000000000, -0.0004542500000000 ] - [ 0.0000069600000000, -0.0000024300000000, 0.0004715400000000 ] - [ 0.0000063400000000, -0.0000025500000000, 0.0002422700000000 ] - [ 0.0608595000000000, 0.0009963100000000, -0.0006153100000000 ] - [ 0.0000069400000000, -0.0000023600000000, 0.0001350600000000 ] - [ -0.0000103700000000, 0.0000039900000000, -0.0000059100000000 ] - [ 0.0004736300000000, -0.0000020500000000, -0.0005707900000000 ] - [ 0.0000069300000000, -0.0000027700000000, -0.0002578900000000 ] - [ -0.0000048500000000, 0.0000040200000000, -0.0003141600000000 ] - [ -0.0000047000000000, 0.0000042600000000, 0.0005798400000000 ] - [ 0.0000064800000000, -0.0000027600000000, -0.0000992400000000 ] - [ 0.0000062500000000, -0.0000021100000000, -0.0003264200000000 ] - [ -0.0000049100000000, 0.0000039500000000, 0.0001156000000000 ] - [ -0.0000424800000000, 0.0000043100000000, -0.0000722100000000 ] - [ -0.0008632100000000, -0.0000018700000000, 0.0003116500000000 ] - [ 0.0018390400000000, -0.0000112200000000, 0.0000107500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008633800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026619700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014569800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025470200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012475400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011709000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0953787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010423000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014481800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006947800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010238300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012699100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568626600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031083300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011764700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008646900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013100500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015054100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011318300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0933210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012749900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012438100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015854600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013713300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017349100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011192500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541525800000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000164200000000, -0.0000091100000000, 0.0002701500000000 ] - [ 0.0000146600000000, -0.0000094300000000, 0.0002264300000000 ] - [ -0.0001662500000000, -0.0000048400000000, -0.0002850500000000 ] - [ -0.0000160300000000, 0.0000080900000000, -0.0002427900000000 ] - [ 0.0000170500000000, -0.0000099200000000, -0.0002383300000000 ] - [ -0.0000139600000000, 0.0000077700000000, -0.0001710900000000 ] - [ -0.0000146100000000, 0.0000072500000000, -0.0001321100000000 ] - [ 0.0000151600000000, -0.0000090300000000, 0.0003269100000000 ] - [ 0.0000162400000000, -0.0000088100000000, -0.0000201200000000 ] - [ 0.0000173200000000, -0.0000100200000000, 0.0002839200000000 ] - [ 0.0000149700000000, -0.0000100600000000, 0.0001420800000000 ] - [ -0.0000149400000000, 0.0000082400000000, -0.0000303200000000 ] - [ -0.0001534500000000, 0.0000081000000000, -0.0003515500000000 ] - [ 0.0000159800000000, -0.0000094000000000, 0.0000161900000000 ] - [ 0.0000439400000000, 0.0000084100000000, -0.0003378000000000 ] - [ -0.0001548600000000, -0.0000012700000000, 0.0000201700000000 ] - [ 0.0000165200000000, -0.0000103900000000, 0.0000340800000000 ] - [ -0.0000147200000000, 0.0000080900000000, 0.0001805400000000 ] - [ 0.0000163400000000, -0.0000102500000000, -0.0003070700000000 ] - [ -0.0000146400000000, 0.0000077900000000, 0.0000300400000000 ] - [ -0.0000144100000000, 0.0000089000000000, 0.0000226700000000 ] - [ -0.0000181400000000, 0.0000079700000000, -0.0000648000000000 ] - [ -0.0616427200000000, 0.0009989100000000, 0.0006642000000000 ] - [ -0.0000183200000000, 0.0000080400000000, -0.0002682400000000 ] - [ -0.0000166900000000, 0.0000081300000000, -0.0000585000000000 ] - [ -0.0000148600000000, 0.0000082000000000, -0.0001001600000000 ] - [ -0.0000052300000000, 0.0000029100000000, 0.0000438200000000 ] - [ -0.0000045300000000, 0.0000027900000000, 0.0003712400000000 ] - [ 0.0000070200000000, -0.0000036900000000, 0.0002251800000000 ] - [ -0.0000054200000000, 0.0000028200000000, 0.0001326700000000 ] - [ 0.0000060700000000, -0.0000035400000000, -0.0002927100000000 ] - [ -0.0000043400000000, 0.0000031800000000, 0.0000930800000000 ] - [ -0.0000042300000000, 0.0000027800000000, 0.0000080600000000 ] - [ -0.0000047800000000, 0.0000029300000000, 0.0004506500000000 ] - [ 0.0000066200000000, -0.0000037100000000, 0.0001541700000000 ] - [ -0.0008746700000000, 0.0000021500000000, 0.0000255300000000 ] - [ -0.0000054300000000, 0.0000030800000000, -0.0004513800000000 ] - [ 0.0000068800000000, -0.0000037700000000, 0.0004739800000000 ] - [ 0.0000065600000000, -0.0000035500000000, 0.0002403500000000 ] - [ 0.0000173200000000, -0.0000039600000000, -0.0000198200000000 ] - [ 0.0000066600000000, -0.0000034600000000, 0.0001415300000000 ] - [ 0.0608616200000000, -0.0009960300000000, -0.0006151200000000 ] - [ 0.0000064700000000, -0.0000037300000000, -0.0005677900000000 ] - [ 0.0000019500000000, -0.0000040100000000, -0.0002574300000000 ] - [ -0.0000047800000000, 0.0000028000000000, -0.0003107200000000 ] - [ -0.0000053300000000, 0.0000031500000000, 0.0005830800000000 ] - [ 0.0000064700000000, -0.0000038700000000, -0.0000994900000000 ] - [ -0.0000315600000000, -0.0000035400000000, -0.0003217900000000 ] - [ -0.0000050400000000, 0.0000028300000000, 0.0001195800000000 ] - [ 0.0017698300000000, 0.0000118600000000, -0.0001973800000000 ] - [ 0.0003291600000000, -0.0000043800000000, 0.0003130200000000 ] - [ 0.0000067000000000, -0.0000033700000000, 0.0001482500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013722000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009781800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014775300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011674400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029215500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008415000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011085300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014364400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005687900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0566829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008154200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009936500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008161000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0931389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012554000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011605700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012996200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001216400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012943400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326532200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017433600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010622800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012955800000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000161900000000, -0.0000080700000000, 0.0002722600000000 ] - [ 0.0000148200000000, -0.0000083400000000, 0.0002278900000000 ] - [ 0.0000731200000000, -0.0000091600000000, -0.0002811100000000 ] - [ -0.0000159400000000, 0.0000091800000000, -0.0002405100000000 ] - [ 0.0000143100000000, -0.0000088800000000, -0.0002403400000000 ] - [ -0.0000137000000000, 0.0000088900000000, -0.0001716100000000 ] - [ -0.0000149000000000, 0.0000082800000000, -0.0001309200000000 ] - [ 0.0000148700000000, -0.0000080500000000, 0.0003313000000000 ] - [ 0.0000145800000000, -0.0000078600000000, -0.0000210700000000 ] - [ 0.0000164700000000, -0.0000089200000000, 0.0002841100000000 ] - [ 0.0000155900000000, -0.0000090600000000, 0.0001438300000000 ] - [ -0.0000139600000000, 0.0000094000000000, -0.0000305800000000 ] - [ -0.0001861500000000, 0.0000016200000000, -0.0003453600000000 ] - [ 0.0000164600000000, -0.0000083700000000, 0.0000168000000000 ] - [ -0.0000159400000000, 0.0000093500000000, -0.0003325700000000 ] - [ 0.0000139000000000, -0.0000079600000000, 0.0000111600000000 ] - [ 0.0000164100000000, -0.0000093300000000, 0.0000382800000000 ] - [ -0.0001370000000000, 0.0000095100000000, 0.0001863900000000 ] - [ 0.0000161300000000, -0.0000091800000000, -0.0003059500000000 ] - [ -0.0000202100000000, 0.0000091000000000, 0.0000337500000000 ] - [ -0.0000149700000000, 0.0000099700000000, 0.0000243900000000 ] - [ -0.0000139900000000, 0.0000090600000000, -0.0000624000000000 ] - [ 0.0000130500000000, -0.0000084700000000, -0.0000637600000000 ] - [ -0.0616355300000000, -0.0009969400000000, 0.0003812500000000 ] - [ -0.0001950400000000, 0.0000040200000000, -0.0000596300000000 ] - [ -0.0000164100000000, 0.0000091900000000, -0.0000982200000000 ] - [ -0.0000051700000000, 0.0000043200000000, 0.0000448200000000 ] - [ -0.0000053200000000, 0.0000039900000000, 0.0003743500000000 ] - [ 0.0000066400000000, -0.0000024000000000, 0.0002258000000000 ] - [ -0.0000050900000000, 0.0000038700000000, 0.0001370100000000 ] - [ -0.0008598200000000, -0.0000016800000000, -0.0002899600000000 ] - [ -0.0000052200000000, 0.0000042400000000, 0.0000912800000000 ] - [ -0.0000044000000000, 0.0000040600000000, 0.0000102800000000 ] - [ -0.0000049500000000, 0.0000039200000000, 0.0004513500000000 ] - [ 0.0000059200000000, -0.0000027500000000, 0.0001539500000000 ] - [ 0.0003173700000000, 0.0000047200000000, 0.0000317900000000 ] - [ -0.0000050500000000, 0.0000042600000000, -0.0004503900000000 ] - [ 0.0000061700000000, -0.0000025900000000, 0.0004771800000000 ] - [ -0.0000533400000000, -0.0000026600000000, 0.0002458700000000 ] - [ 0.0000065500000000, -0.0000027700000000, -0.0000196600000000 ] - [ 0.0000066300000000, -0.0000024300000000, 0.0001415100000000 ] - [ 0.0000049700000000, 0.0000039700000000, -0.0000122200000000 ] - [ 0.0000063400000000, -0.0000026600000000, -0.0005684300000000 ] - [ 0.0608430000000000, 0.0009961300000000, -0.0008607900000000 ] - [ -0.0000050900000000, 0.0000039300000000, -0.0003122200000000 ] - [ -0.0000052300000000, 0.0000041700000000, 0.0005868200000000 ] - [ 0.0000006600000000, -0.0000027800000000, -0.0000963700000000 ] - [ 0.0017883800000000, -0.0000107900000000, -0.0004548500000000 ] - [ -0.0000048500000000, 0.0000039400000000, 0.0001202700000000 ] - [ -0.0000040700000000, 0.0000041600000000, -0.0000650900000000 ] - [ 0.0000061300000000, -0.0000025700000000, 0.0003184600000000 ] - [ 0.0000066400000000, -0.0000025300000000, 0.0001518500000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010191800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008827900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012915100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011500300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014436900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008209100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011504500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010797500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0957392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009338900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010722100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006564500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010497700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011287200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012250400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014183800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0564578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009690900000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008604000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015870500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012964800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031762800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011215300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014369000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011378300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011094000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011883900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0919975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012323800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012210800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013948600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016489400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014499300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011444100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011660300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010853100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0546296700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013034700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000170600000000, -0.0000080000000000, 0.0002742900000000 ] - [ 0.0000161300000000, -0.0000083100000000, 0.0002269600000000 ] - [ 0.0000162200000000, -0.0000089000000000, -0.0002824500000000 ] - [ -0.0000140700000000, 0.0000092700000000, -0.0002444200000000 ] - [ 0.0000085100000000, -0.0000087400000000, -0.0002394200000000 ] - [ -0.0000130000000000, 0.0000088900000000, -0.0001715400000000 ] - [ -0.0000136700000000, 0.0000083300000000, -0.0001313400000000 ] - [ 0.0000164900000000, -0.0000079600000000, 0.0003309600000000 ] - [ 0.0000161000000000, -0.0000076900000000, -0.0000216300000000 ] - [ 0.0000174000000000, -0.0000088100000000, 0.0002835200000000 ] - [ 0.0000165700000000, -0.0000090000000000, 0.0001425200000000 ] - [ -0.0000136600000000, 0.0000093700000000, -0.0000298000000000 ] - [ -0.0001357100000000, 0.0000095400000000, -0.0003542200000000 ] - [ 0.0000169900000000, -0.0000082900000000, 0.0000160300000000 ] - [ -0.0000143700000000, 0.0000094000000000, -0.0003357200000000 ] - [ 0.0000156100000000, -0.0000078900000000, 0.0000118000000000 ] - [ 0.0000168400000000, -0.0000092900000000, 0.0000372800000000 ] - [ -0.0001939000000000, 0.0000040200000000, 0.0001837600000000 ] - [ 0.0000169900000000, -0.0000090900000000, -0.0003076800000000 ] - [ -0.0001358500000000, 0.0000092400000000, 0.0000329600000000 ] - [ -0.0000136600000000, 0.0000100300000000, 0.0000253000000000 ] - [ -0.0000134100000000, 0.0000090600000000, -0.0000590100000000 ] - [ 0.0000166300000000, -0.0000083500000000, -0.0000610900000000 ] - [ -0.0001932300000000, 0.0000013900000000, -0.0002609400000000 ] - [ -0.0616943500000000, -0.0009985800000000, 0.0006140200000000 ] - [ -0.0000139000000000, 0.0000093000000000, -0.0001009900000000 ] - [ -0.0000041900000000, 0.0000044200000000, 0.0000446700000000 ] - [ -0.0000040500000000, 0.0000040800000000, 0.0003784600000000 ] - [ 0.0000080300000000, -0.0000022800000000, 0.0002196700000000 ] - [ -0.0000041400000000, 0.0000038600000000, 0.0001450200000000 ] - [ 0.0607989400000000, 0.0009956600000000, -0.0008963500000000 ] - [ -0.0000054200000000, 0.0000044200000000, 0.0000936400000000 ] - [ -0.0000034000000000, 0.0000042100000000, 0.0000039100000000 ] - [ -0.0000034300000000, 0.0000038300000000, 0.0004483800000000 ] - [ 0.0000072700000000, -0.0000027200000000, 0.0001623100000000 ] - [ 0.0000328200000000, 0.0000041300000000, 0.0000233300000000 ] - [ -0.0000039800000000, 0.0000042600000000, -0.0004519300000000 ] - [ 0.0000072900000000, -0.0000024400000000, 0.0004736100000000 ] - [ -0.0008571200000000, -0.0000018800000000, 0.0002496900000000 ] - [ 0.0000083400000000, -0.0000026900000000, -0.0000048800000000 ] - [ 0.0000079900000000, -0.0000024000000000, 0.0001371200000000 ] - [ -0.0000030400000000, 0.0000039100000000, -0.0000002500000000 ] - [ 0.0000075900000000, -0.0000025800000000, -0.0005682900000000 ] - [ 0.0018458000000000, -0.0000114400000000, -0.0003868200000000 ] - [ -0.0000042700000000, 0.0000039800000000, -0.0003139600000000 ] - [ -0.0000041800000000, 0.0000042200000000, 0.0005814400000000 ] - [ -0.0000540200000000, -0.0000028100000000, -0.0000972300000000 ] - [ 0.0004743000000000, -0.0000015300000000, -0.0003240900000000 ] - [ -0.0000035700000000, 0.0000038400000000, 0.0001197100000000 ] - [ -0.0000034900000000, 0.0000041600000000, -0.0000707400000000 ] - [ 0.0000074600000000, -0.0000025700000000, 0.0003114200000000 ] - [ 0.0000077100000000, -0.0000025800000000, 0.0001430700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014303400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009098400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014386300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013132400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008493400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013303400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011808600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026664800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0968238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010532000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007460600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009715500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328557000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009939300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0564257500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005562200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014162500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009757200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008818800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011359800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012235700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0934038200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014954500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013723300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015846500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012818800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006821800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010961300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0544771200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012493400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012886200000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001213000000000, -0.0000078200000000, 0.0002729100000000 ] - [ 0.0000169000000000, -0.0000083200000000, 0.0002258800000000 ] - [ 0.0000174100000000, -0.0000088100000000, -0.0002827100000000 ] - [ -0.0001359200000000, 0.0000095100000000, -0.0002454100000000 ] - [ 0.0000175800000000, -0.0000089200000000, -0.0002409000000000 ] - [ -0.0000120600000000, 0.0000088400000000, -0.0001733300000000 ] - [ -0.0000138800000000, 0.0000082400000000, -0.0001323000000000 ] - [ 0.0000169100000000, -0.0000080200000000, 0.0003309600000000 ] - [ 0.0000179200000000, -0.0000077500000000, -0.0000231900000000 ] - [ 0.0000170200000000, -0.0000089100000000, 0.0002823900000000 ] - [ -0.0008896800000000, 0.0000025100000000, 0.0001521200000000 ] - [ -0.0001829300000000, 0.0000042200000000, -0.0000339100000000 ] - [ -0.0000130500000000, 0.0000094100000000, -0.0003547400000000 ] - [ 0.0000087300000000, -0.0000081800000000, 0.0000145400000000 ] - [ -0.0000153100000000, 0.0000093500000000, -0.0003358300000000 ] - [ 0.0000159900000000, -0.0000079500000000, 0.0000105100000000 ] - [ 0.0000176300000000, -0.0000093000000000, 0.0000364700000000 ] - [ -0.0000125600000000, 0.0000091700000000, 0.0001853500000000 ] - [ 0.0000181400000000, -0.0000091500000000, -0.0003084900000000 ] - [ -0.0000122100000000, 0.0000089200000000, 0.0000321700000000 ] - [ -0.0000136600000000, 0.0000099600000000, 0.0000244100000000 ] - [ -0.0000185400000000, 0.0000091500000000, -0.0000604800000000 ] - [ 0.0000188400000000, -0.0000084500000000, -0.0000625300000000 ] - [ -0.0000141200000000, 0.0000090400000000, -0.0002708900000000 ] - [ -0.0000135200000000, 0.0000092000000000, -0.0000595700000000 ] - [ -0.0615470300000000, -0.0009915400000000, 0.0006120900000000 ] - [ 0.0026220500000000, -0.0000190600000000, -0.0000827000000000 ] - [ -0.0000034900000000, 0.0000040200000000, 0.0003761400000000 ] - [ 0.0603839800000000, 0.0009888000000000, -0.0003840600000000 ] - [ 0.0006355000000000, 0.0000023200000000, 0.0001464700000000 ] - [ 0.0000075300000000, -0.0000024700000000, -0.0002947100000000 ] - [ -0.0000034600000000, 0.0000042700000000, 0.0000937600000000 ] - [ 0.0000543300000000, 0.0000040400000000, 0.0000028500000000 ] - [ -0.0000031900000000, 0.0000037800000000, 0.0004472700000000 ] - [ 0.0000077600000000, -0.0000027800000000, 0.0001628300000000 ] - [ -0.0000030500000000, 0.0000039900000000, 0.0000224700000000 ] - [ -0.0000033000000000, 0.0000042600000000, -0.0004528500000000 ] - [ 0.0000126200000000, -0.0000025200000000, 0.0004729200000000 ] - [ 0.0000078000000000, -0.0000026700000000, 0.0002433100000000 ] - [ 0.0000024000000000, -0.0000027800000000, -0.0000062900000000 ] - [ 0.0000082300000000, -0.0000024500000000, 0.0001363600000000 ] - [ -0.0000046300000000, 0.0000038300000000, -0.0000023000000000 ] - [ -0.0008556300000000, -0.0000018500000000, -0.0005677900000000 ] - [ 0.0000080200000000, -0.0000028500000000, -0.0002557600000000 ] - [ -0.0000031600000000, 0.0000039600000000, -0.0003125600000000 ] - [ -0.0000031200000000, 0.0000041400000000, 0.0005807700000000 ] - [ 0.0000079000000000, -0.0000028800000000, -0.0000979700000000 ] - [ 0.0000076700000000, -0.0000021100000000, -0.0003235900000000 ] - [ -0.0000031600000000, 0.0000038600000000, 0.0001185500000000 ] - [ -0.0000030200000000, 0.0000040800000000, -0.0000707000000000 ] - [ 0.0000072400000000, -0.0000026200000000, 0.0003104900000000 ] - [ -0.0000511300000000, -0.0000027200000000, 0.0001415800000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0015300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008683100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010310800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014708100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027895200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011904400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010977300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010794300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0954406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0562857900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007893800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014386300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006729100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009969000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006760300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009928000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004502500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014603300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010382400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008081900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014921700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011408400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011280800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014138700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0920547800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538366600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325137500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008568300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013082000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017412300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010671900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008416300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012710900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010903000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013468600000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008548300000000, -0.0000085200000000, 0.0002699000000000 ] - [ 0.0000146800000000, -0.0000088400000000, 0.0002260500000000 ] - [ 0.0000143300000000, -0.0000094300000000, -0.0002831100000000 ] - [ 0.0000204700000000, 0.0000088200000000, -0.0002428200000000 ] - [ 0.0000153000000000, -0.0000094100000000, -0.0002395400000000 ] - [ -0.0000146600000000, 0.0000083700000000, -0.0001707400000000 ] - [ -0.0000148200000000, 0.0000078100000000, -0.0001322900000000 ] - [ 0.0000141700000000, -0.0000084900000000, 0.0003260900000000 ] - [ 0.0000145700000000, -0.0000082700000000, -0.0000215900000000 ] - [ 0.0000158300000000, -0.0000094500000000, 0.0002829600000000 ] - [ 0.0600094900000000, 0.0010273600000000, 0.0007452600000000 ] - [ 0.0003072800000000, 0.0000120100000000, -0.0000305400000000 ] - [ -0.0000155300000000, 0.0000089600000000, -0.0003522000000000 ] - [ -0.0000458600000000, -0.0000091400000000, 0.0000158800000000 ] - [ -0.0000157000000000, 0.0000088300000000, -0.0003372300000000 ] - [ 0.0000141500000000, -0.0000084800000000, 0.0000123900000000 ] - [ 0.0000158000000000, -0.0000098500000000, 0.0000342000000000 ] - [ -0.0000152900000000, 0.0000086800000000, 0.0001804700000000 ] - [ 0.0000156500000000, -0.0000097000000000, -0.0003068500000000 ] - [ -0.0000154700000000, 0.0000083800000000, 0.0000305300000000 ] - [ -0.0000160500000000, 0.0000094500000000, 0.0000210500000000 ] - [ -0.0000115300000000, 0.0000085400000000, -0.0000658800000000 ] - [ 0.0000164100000000, -0.0000089800000000, -0.0000653500000000 ] - [ -0.0000152200000000, 0.0000086000000000, -0.0002701600000000 ] - [ -0.0000156900000000, 0.0000086800000000, -0.0000586200000000 ] - [ 0.0026095100000000, 0.0000224500000000, -0.0000092700000000 ] - [ -0.0695282200000000, -0.0010889500000000, -0.0006842100000000 ] - [ -0.0000056800000000, 0.0000035300000000, 0.0003745400000000 ] - [ 0.0027120600000000, 0.0000145700000000, 0.0002286800000000 ] - [ 0.0040953900000000, 0.0000222900000000, 0.0001635500000000 ] - [ 0.0000055500000000, -0.0000030100000000, -0.0002936100000000 ] - [ -0.0000054500000000, 0.0000038100000000, 0.0000938700000000 ] - [ 0.0003260000000000, 0.0000045100000000, 0.0000053200000000 ] - [ -0.0000053800000000, 0.0000033000000000, 0.0004475800000000 ] - [ 0.0000069200000000, -0.0000033100000000, 0.0001588100000000 ] - [ -0.0000054200000000, 0.0000034500000000, 0.0000247700000000 ] - [ -0.0000057700000000, 0.0000037500000000, -0.0004507100000000 ] - [ 0.0000286700000000, -0.0000029200000000, 0.0004745100000000 ] - [ 0.0000056200000000, -0.0000031800000000, 0.0002425400000000 ] - [ 0.0000084400000000, -0.0000032500000000, -0.0000128100000000 ] - [ 0.0000062400000000, -0.0000029400000000, 0.0001385100000000 ] - [ -0.0000061100000000, 0.0000033300000000, -0.0000057600000000 ] - [ 0.0002898200000000, -0.0000019800000000, -0.0005672100000000 ] - [ 0.0000061400000000, -0.0000033400000000, -0.0002562100000000 ] - [ -0.0000055900000000, 0.0000034500000000, -0.0003123800000000 ] - [ -0.0000055700000000, 0.0000036300000000, 0.0005840900000000 ] - [ 0.0000060100000000, -0.0000033200000000, -0.0000960400000000 ] - [ 0.0000056100000000, -0.0000026100000000, -0.0003228000000000 ] - [ -0.0000054000000000, 0.0000033700000000, 0.0001179000000000 ] - [ -0.0000052300000000, 0.0000036000000000, -0.0000683400000000 ] - [ 0.0000060300000000, -0.0000031200000000, 0.0003126000000000 ] - [ 0.0000283200000000, -0.0000030700000000, 0.0001442400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004149100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014226200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013967300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013266600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008259600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011812800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008723500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015097200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011378300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0537541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082835300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110692500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109686700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008645700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012665400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012395700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011967800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011418600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008400600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008496800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013032500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014329900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328768400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011094100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012268300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008378100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008527000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0564007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1112828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007566400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108595500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014435100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007131300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014192000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010266200000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000151400000000, -0.0000085500000000, 0.0002710400000000 ] - [ -0.0000447400000000, -0.0000091300000000, 0.0002261500000000 ] - [ 0.0000140300000000, -0.0000094100000000, -0.0002826200000000 ] - [ -0.0000162900000000, 0.0000087100000000, -0.0002428800000000 ] - [ 0.0000155500000000, -0.0000094000000000, -0.0002414800000000 ] - [ 0.0006233400000000, 0.0000063800000000, -0.0001747600000000 ] - [ -0.0000137100000000, 0.0000077200000000, -0.0001330800000000 ] - [ 0.0608359300000000, 0.0010221700000000, 0.0009338800000000 ] - [ 0.0000144200000000, -0.0000082400000000, -0.0000220300000000 ] - [ -0.0008490700000000, -0.0000099500000000, 0.0002819300000000 ] - [ 0.0000154400000000, -0.0000095800000000, 0.0001411600000000 ] - [ -0.0000153600000000, 0.0000088500000000, -0.0000322900000000 ] - [ -0.0000155900000000, 0.0000089000000000, -0.0003548800000000 ] - [ 0.0000154600000000, -0.0000089000000000, 0.0000147200000000 ] - [ -0.0000159900000000, 0.0000088500000000, -0.0003359800000000 ] - [ 0.0000140900000000, -0.0000084500000000, 0.0000099900000000 ] - [ 0.0018244500000000, 0.0000102000000000, 0.0001245900000000 ] - [ -0.0000154300000000, 0.0000086600000000, 0.0001842500000000 ] - [ 0.0000096500000000, -0.0000096500000000, -0.0003075800000000 ] - [ -0.0000155600000000, 0.0000083600000000, 0.0000303900000000 ] - [ -0.0000046400000000, 0.0000093900000000, 0.0000232000000000 ] - [ -0.0000148100000000, 0.0000085000000000, -0.0000626600000000 ] - [ 0.0000165000000000, -0.0000089600000000, -0.0000638500000000 ] - [ -0.0000151200000000, 0.0000086000000000, -0.0002702300000000 ] - [ -0.0000160400000000, 0.0000087100000000, -0.0000585900000000 ] - [ -0.0000157400000000, 0.0000087400000000, -0.0001009000000000 ] - [ -0.0000059300000000, 0.0000038800000000, 0.0000443900000000 ] - [ -0.0708816000000000, -0.0010586800000000, -0.0003291300000000 ] - [ 0.0000057200000000, -0.0000028100000000, 0.0002215200000000 ] - [ -0.0000055300000000, 0.0000032700000000, 0.0001412000000000 ] - [ 0.0000055700000000, -0.0000030000000000, -0.0002937300000000 ] - [ -0.0000052300000000, 0.0000037900000000, 0.0000910900000000 ] - [ -0.0000051600000000, 0.0000036600000000, 0.0000042500000000 ] - [ 0.0039532300000000, 0.0000247300000000, 0.0004668600000000 ] - [ 0.0000227100000000, -0.0000033500000000, 0.0001599500000000 ] - [ -0.0000055400000000, 0.0000034200000000, 0.0000248900000000 ] - [ 0.0003193100000000, 0.0000047200000000, -0.0004515800000000 ] - [ 0.0000069000000000, -0.0000029600000000, 0.0004740600000000 ] - [ 0.0000056800000000, -0.0000031200000000, 0.0002452500000000 ] - [ 0.0000061100000000, -0.0000032500000000, -0.0000117800000000 ] - [ 0.0001029900000000, -0.0000038200000000, 0.0001353500000000 ] - [ -0.0000060500000000, 0.0000033200000000, -0.0000051600000000 ] - [ 0.0000056300000000, -0.0000030800000000, -0.0005696200000000 ] - [ 0.0000061000000000, -0.0000033300000000, -0.0002579300000000 ] - [ -0.0000029100000000, 0.0000034300000000, -0.0003138800000000 ] - [ 0.0040926800000000, -0.0000042300000000, 0.0005812700000000 ] - [ 0.0000060400000000, -0.0000033100000000, -0.0000956700000000 ] - [ 0.0000055400000000, -0.0000026200000000, -0.0003253800000000 ] - [ 0.0000216800000000, 0.0000034100000000, 0.0001178900000000 ] - [ -0.0000053500000000, 0.0000035800000000, -0.0000691600000000 ] - [ 0.0000057100000000, -0.0000030600000000, 0.0003133900000000 ] - [ 0.0000057800000000, -0.0000031300000000, 0.0001441900000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008656000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009691800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013687500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010129700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011581200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011076200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011087200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0544249600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009576600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011348700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011425600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012137700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012234600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011938100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082657900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012694100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012972700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011753400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016328900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013675500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011096000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012591600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012831600000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008652700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008874100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012906300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007805300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008121100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011454000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013184800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008307100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010761800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010755600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011064200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1120294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011444100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009669400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011294200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010604700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013855700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102718100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012509500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014683900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009891400000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000232100000000, -0.0000082500000000, 0.0002701100000000 ] - [ 0.0000145600000000, -0.0000088300000000, 0.0002266400000000 ] - [ 0.0000137500000000, -0.0000094200000000, -0.0002834600000000 ] - [ 0.0004507900000000, 0.0000109500000000, -0.0002426700000000 ] - [ 0.0000153400000000, -0.0000093700000000, -0.0002388200000000 ] - [ -0.0000150200000000, 0.0000083500000000, -0.0001707200000000 ] - [ -0.0000157600000000, 0.0000077900000000, -0.0001335700000000 ] - [ 0.0000142800000000, -0.0000084700000000, 0.0003266500000000 ] - [ 0.0000148300000000, -0.0000082500000000, -0.0000205300000000 ] - [ 0.0000159300000000, -0.0000094400000000, 0.0002840000000000 ] - [ 0.0001883400000000, -0.0000068900000000, 0.0001375400000000 ] - [ 0.0017621200000000, -0.0000114400000000, 0.0000599700000000 ] - [ -0.0000157000000000, 0.0000089800000000, -0.0003516400000000 ] - [ 0.0000134100000000, -0.0000088300000000, 0.0000161100000000 ] - [ -0.0000124900000000, 0.0000088700000000, -0.0003374500000000 ] - [ 0.0000147300000000, -0.0000084600000000, 0.0000122500000000 ] - [ 0.0000156600000000, -0.0000098700000000, 0.0000334500000000 ] - [ -0.0000152700000000, 0.0000086900000000, 0.0001805900000000 ] - [ 0.0000155400000000, -0.0000096700000000, -0.0003068100000000 ] - [ -0.0000156500000000, 0.0000084000000000, 0.0000294800000000 ] - [ -0.0000155000000000, 0.0000094800000000, 0.0000218800000000 ] - [ 0.0000271100000000, 0.0000086500000000, -0.0000651300000000 ] - [ 0.0000162800000000, -0.0000089800000000, -0.0000649200000000 ] - [ -0.0000151500000000, 0.0000086400000000, -0.0002688900000000 ] - [ -0.0000160800000000, 0.0000086900000000, -0.0000581200000000 ] - [ 0.0603585800000000, -0.0010121300000000, 0.0005030600000000 ] - [ 0.0027004100000000, -0.0000192800000000, 0.0000631700000000 ] - [ -0.0000058200000000, 0.0000032600000000, 0.0003686400000000 ] - [ -0.0699057700000000, 0.0010485200000000, -0.0004763500000000 ] - [ 0.0000913700000000, 0.0000019800000000, 0.0001291900000000 ] - [ 0.0000058600000000, -0.0000029400000000, -0.0002920400000000 ] - [ -0.0000055100000000, 0.0000036400000000, 0.0000929000000000 ] - [ 0.0000038300000000, 0.0000030000000000, 0.0000104500000000 ] - [ -0.0000056300000000, 0.0000036200000000, 0.0004517700000000 ] - [ 0.0000057600000000, -0.0000031300000000, 0.0001494500000000 ] - [ -0.0000058800000000, 0.0000034100000000, 0.0000287000000000 ] - [ -0.0000062400000000, 0.0000036900000000, -0.0004504400000000 ] - [ 0.0000070900000000, -0.0000034400000000, 0.0004771200000000 ] - [ 0.0000056900000000, -0.0000029200000000, 0.0002387100000000 ] - [ 0.0000332200000000, -0.0000033500000000, -0.0000271900000000 ] - [ 0.0000060500000000, -0.0000028000000000, 0.0001443900000000 ] - [ -0.0000059600000000, 0.0000036600000000, -0.0000186500000000 ] - [ 0.0039573400000000, 0.0000047000000000, -0.0005707400000000 ] - [ 0.0000062100000000, -0.0000035100000000, -0.0002576300000000 ] - [ -0.0000057900000000, 0.0000032800000000, -0.0003092800000000 ] - [ -0.0000062700000000, 0.0000038600000000, 0.0005846200000000 ] - [ 0.0000064800000000, -0.0000032600000000, -0.0000985500000000 ] - [ 0.0000055000000000, -0.0000031000000000, -0.0003206100000000 ] - [ -0.0000056800000000, 0.0000033800000000, 0.0001198400000000 ] - [ -0.0000051500000000, 0.0000038400000000, -0.0000633000000000 ] - [ 0.0000082600000000, -0.0000029900000000, 0.0003152200000000 ] - [ 0.0003292300000000, -0.0000023100000000, 0.0001516200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013928500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008235700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007889500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015094200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011331000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012376000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012201200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326192100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1091642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016027900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011903300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007004000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013818100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011382400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013081800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008437400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017472800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010958900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013556100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008702300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010360600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011283300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014345000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567882500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011759000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011642100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013343100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008453100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010975400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0332822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007775600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1125254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010523000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007076200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008930900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011451600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012691700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010314400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010911500000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0608703000000000, 0.0010227000000000, 0.0008672700000000 ] - [ 0.0000144000000000, -0.0000088400000000, 0.0002285900000000 ] - [ 0.0000139600000000, -0.0000093500000000, -0.0002773700000000 ] - [ -0.0000142800000000, 0.0000084900000000, -0.0002444700000000 ] - [ 0.0000148000000000, -0.0000093600000000, -0.0002429400000000 ] - [ -0.0000154000000000, 0.0000083500000000, -0.0001767400000000 ] - [ -0.0000232800000000, 0.0000080900000000, -0.0001290100000000 ] - [ 0.0000140200000000, -0.0000084500000000, 0.0003338400000000 ] - [ 0.0000150100000000, -0.0000081200000000, -0.0000209200000000 ] - [ 0.0000157100000000, -0.0000096000000000, 0.0002819000000000 ] - [ 0.0018219400000000, 0.0000108900000000, 0.0002342500000000 ] - [ -0.0000039100000000, 0.0000089200000000, -0.0000297500000000 ] - [ -0.0000159200000000, 0.0000092400000000, -0.0003536100000000 ] - [ -0.0008473400000000, -0.0000091800000000, 0.0000160200000000 ] - [ -0.0000166300000000, 0.0000087100000000, -0.0003291500000000 ] - [ 0.0000137100000000, -0.0000085300000000, 0.0000080700000000 ] - [ 0.0000161900000000, -0.0000099800000000, 0.0000365400000000 ] - [ -0.0000155400000000, 0.0000086500000000, 0.0001885400000000 ] - [ 0.0000154600000000, -0.0000098000000000, -0.0003094800000000 ] - [ -0.0000160900000000, 0.0000083800000000, 0.0000293100000000 ] - [ -0.0000213900000000, 0.0000094500000000, 0.0000191800000000 ] - [ -0.0000148800000000, 0.0000085300000000, -0.0000649500000000 ] - [ 0.0000164500000000, -0.0000090400000000, -0.0000684600000000 ] - [ -0.0000153400000000, 0.0000087700000000, -0.0002693300000000 ] - [ -0.0000159100000000, 0.0000086900000000, -0.0000587600000000 ] - [ 0.0006228700000000, 0.0000070600000000, -0.0000948700000000 ] - [ 0.0040947900000000, -0.0000048400000000, 0.0000432500000000 ] - [ -0.0000053700000000, 0.0000031700000000, 0.0003509300000000 ] - [ 0.0001026600000000, -0.0000048500000000, 0.0002436600000000 ] - [ -0.0709049700000000, -0.0010589600000000, -0.0006103900000000 ] - [ 0.0000062600000000, -0.0000029800000000, -0.0002902500000000 ] - [ -0.0000057900000000, 0.0000035600000000, 0.0000963500000000 ] - [ 0.0039461000000000, 0.0000241500000000, 0.0000483100000000 ] - [ -0.0000057700000000, 0.0000040700000000, 0.0004552200000000 ] - [ 0.0000231700000000, -0.0000029300000000, 0.0001243600000000 ] - [ -0.0000060900000000, 0.0000033300000000, 0.0000334800000000 ] - [ -0.0000064600000000, 0.0000037400000000, -0.0004473500000000 ] - [ 0.0002897200000000, -0.0000030200000000, 0.0004783900000000 ] - [ 0.0000058900000000, -0.0000028200000000, 0.0002271400000000 ] - [ 0.0000064800000000, -0.0000035300000000, -0.0000589100000000 ] - [ 0.0000074600000000, -0.0000027600000000, 0.0001604300000000 ] - [ -0.0000055400000000, 0.0000038500000000, -0.0000420200000000 ] - [ 0.0000229700000000, -0.0000035400000000, -0.0005508800000000 ] - [ 0.0000065400000000, -0.0000037000000000, -0.0002575000000000 ] - [ -0.0000058900000000, 0.0000032400000000, -0.0003026400000000 ] - [ -0.0000067900000000, 0.0000040200000000, 0.0005869400000000 ] - [ 0.0000070300000000, -0.0000031900000000, -0.0001002900000000 ] - [ 0.0000055500000000, -0.0000034800000000, -0.0003089900000000 ] - [ -0.0000060900000000, 0.0000036700000000, 0.0001206300000000 ] - [ -0.0000055200000000, 0.0000041700000000, -0.0000497200000000 ] - [ 0.0000051500000000, -0.0000028400000000, 0.0003151200000000 ] - [ 0.0000056000000000, -0.0000022100000000, 0.0001610300000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0329094000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013858900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013764700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013102800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013307300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0545694300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011813700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009519000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014430800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011179700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012460200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014120700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1085179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011732600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012546300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012800000000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0328262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013593000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008956700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010639300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014161200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011140700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009710000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1117597600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014293700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015863100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008891100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011363500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012504600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009872100000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000150400000000, -0.0000086100000000, 0.0002723100000000 ] - [ 0.0000145400000000, -0.0000088600000000, 0.0002257400000000 ] - [ 0.0000144700000000, -0.0000094700000000, -0.0002830100000000 ] - [ -0.0000164800000000, 0.0000086400000000, -0.0002451100000000 ] - [ 0.0000727000000000, -0.0000093000000000, -0.0002410800000000 ] - [ -0.0000151100000000, 0.0000083000000000, -0.0001730000000000 ] - [ -0.0000154000000000, 0.0000077800000000, -0.0001324200000000 ] - [ 0.0000145300000000, -0.0000085100000000, 0.0003298000000000 ] - [ 0.0000160500000000, -0.0000082700000000, -0.0000229800000000 ] - [ 0.0000156700000000, -0.0000094300000000, 0.0002823000000000 ] - [ 0.0000148800000000, -0.0000095600000000, 0.0001415200000000 ] - [ -0.0000149900000000, 0.0000088300000000, -0.0000314200000000 ] - [ -0.0000745700000000, 0.0000091100000000, -0.0003545600000000 ] - [ 0.0000150300000000, -0.0000088800000000, 0.0000146900000000 ] - [ -0.0000164200000000, 0.0000088000000000, -0.0003360600000000 ] - [ 0.0000141000000000, -0.0000084700000000, 0.0000107200000000 ] - [ 0.0000157200000000, -0.0000098500000000, 0.0000361800000000 ] - [ 0.0018225600000000, -0.0000116100000000, 0.0002740400000000 ] - [ 0.0000149200000000, -0.0000097200000000, -0.0003087900000000 ] - [ 0.0004518400000000, 0.0000106200000000, 0.0000312100000000 ] - [ -0.0000156300000000, 0.0000094200000000, 0.0000235800000000 ] - [ -0.0000152100000000, 0.0000085100000000, -0.0000626000000000 ] - [ 0.0000159300000000, -0.0000090000000000, -0.0000633100000000 ] - [ -0.0008814000000000, 0.0000091500000000, -0.0002709200000000 ] - [ 0.0607735500000000, -0.0010209600000000, 0.0005424600000000 ] - [ -0.0000157600000000, 0.0000087200000000, -0.0001016900000000 ] - [ -0.0000062400000000, 0.0000039300000000, 0.0000435000000000 ] - [ -0.0000058200000000, 0.0000034700000000, 0.0003768800000000 ] - [ 0.0000058500000000, -0.0000028000000000, 0.0002178700000000 ] - [ -0.0000057900000000, 0.0000032800000000, 0.0001465900000000 ] - [ -0.0708216900000000, 0.0010580300000000, -0.0010037300000000 ] - [ 0.0000035000000000, 0.0000038100000000, 0.0000938200000000 ] - [ -0.0000055100000000, 0.0000036800000000, 0.0000022500000000 ] - [ -0.0000056400000000, 0.0000032600000000, 0.0004476900000000 ] - [ 0.0000054600000000, -0.0000033100000000, 0.0001641900000000 ] - [ 0.0000168000000000, 0.0000033800000000, 0.0000222600000000 ] - [ -0.0000060500000000, 0.0000037000000000, -0.0004528000000000 ] - [ 0.0000055400000000, -0.0000029900000000, 0.0004728400000000 ] - [ 0.0039623000000000, 0.0000051100000000, 0.0002402000000000 ] - [ 0.0000060000000000, -0.0000032900000000, -0.0000052800000000 ] - [ 0.0000059800000000, -0.0000030000000000, 0.0001357100000000 ] - [ -0.0000049600000000, 0.0000033100000000, -0.0000005600000000 ] - [ 0.0000055900000000, -0.0000031200000000, -0.0005695800000000 ] - [ 0.0039656400000000, -0.0000249400000000, -0.0002347600000000 ] - [ -0.0000041300000000, 0.0000034000000000, -0.0003121900000000 ] - [ -0.0000058700000000, 0.0000036000000000, 0.0005808100000000 ] - [ 0.0003383200000000, -0.0000029200000000, -0.0000989100000000 ] - [ 0.0003292900000000, -0.0000036500000000, -0.0003241500000000 ] - [ -0.0000054800000000, 0.0000033600000000, 0.0001184800000000 ] - [ -0.0000051700000000, 0.0000035700000000, -0.0000711700000000 ] - [ 0.0000057500000000, -0.0000031100000000, 0.0003108200000000 ] - [ 0.0000057900000000, -0.0000031900000000, 0.0001416300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014479600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014075600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011739400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0544336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012753800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1087122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012947400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016283000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107923100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011300400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011217600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012842700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008961600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011288400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011904100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565246800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008369300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0332008900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010368900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011052600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007532500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009830800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1110822700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011351000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108474500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005710900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013082000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015371300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009854800000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000152100000000, -0.0000085300000000, 0.0002701400000000 ] - [ 0.0000565800000000, -0.0000088900000000, 0.0002259100000000 ] - [ 0.0000137000000000, -0.0000094300000000, -0.0002826700000000 ] - [ -0.0000161200000000, 0.0000086800000000, -0.0002428600000000 ] - [ 0.0603449600000000, 0.0010116300000000, 0.0003645700000000 ] - [ -0.0000144900000000, 0.0000083700000000, -0.0001727000000000 ] - [ -0.0000155500000000, 0.0000077900000000, -0.0001330700000000 ] - [ 0.0000147700000000, -0.0000085000000000, 0.0003288300000000 ] - [ 0.0018010600000000, 0.0000119700000000, 0.0000685600000000 ] - [ 0.0000196700000000, -0.0000093800000000, 0.0002826600000000 ] - [ 0.0000148600000000, -0.0000095500000000, 0.0001415700000000 ] - [ -0.0000150400000000, 0.0000088800000000, -0.0000318000000000 ] - [ -0.0000157200000000, 0.0000089600000000, -0.0003533800000000 ] - [ 0.0000149100000000, -0.0000088600000000, 0.0000150400000000 ] - [ -0.0000163100000000, 0.0000088500000000, -0.0003363300000000 ] - [ 0.0000141000000000, -0.0000084400000000, 0.0000107700000000 ] - [ 0.0000158000000000, -0.0000098000000000, 0.0000338100000000 ] - [ -0.0000536100000000, 0.0000083900000000, 0.0001826600000000 ] - [ 0.0004821400000000, -0.0000118500000000, -0.0003077000000000 ] - [ 0.0001574900000000, 0.0000056500000000, 0.0000262000000000 ] - [ -0.0000156600000000, 0.0000094700000000, 0.0000226600000000 ] - [ -0.0000149900000000, 0.0000085300000000, -0.0000636300000000 ] - [ 0.0000163100000000, -0.0000089500000000, -0.0000644000000000 ] - [ -0.0000150700000000, 0.0000086400000000, -0.0002698700000000 ] - [ -0.0000175600000000, 0.0000086800000000, -0.0000584000000000 ] - [ -0.0000157600000000, 0.0000087800000000, -0.0001006300000000 ] - [ -0.0000060600000000, 0.0000037400000000, 0.0000456700000000 ] - [ -0.0000055600000000, 0.0000034200000000, 0.0003802300000000 ] - [ 0.0000059500000000, -0.0000031900000000, 0.0002254200000000 ] - [ -0.0000057600000000, 0.0000034000000000, 0.0001348800000000 ] - [ 0.0000146400000000, -0.0000028700000000, -0.0002925500000000 ] - [ -0.0698754800000000, -0.0010485000000000, -0.0006143400000000 ] - [ -0.0000051200000000, 0.0000034500000000, 0.0000064900000000 ] - [ -0.0000028500000000, 0.0000033900000000, 0.0004485600000000 ] - [ 0.0000055900000000, -0.0000032200000000, 0.0001575500000000 ] - [ -0.0000057800000000, 0.0000033800000000, 0.0000266300000000 ] - [ 0.0000211100000000, 0.0000035800000000, -0.0004512700000000 ] - [ 0.0000058300000000, -0.0000031900000000, 0.0004751100000000 ] - [ 0.0001023800000000, -0.0000016500000000, 0.0002480600000000 ] - [ 0.0000059600000000, -0.0000033500000000, -0.0000148000000000 ] - [ 0.0000060200000000, -0.0000028800000000, 0.0001378200000000 ] - [ -0.0000061300000000, 0.0000035100000000, -0.0000090900000000 ] - [ 0.0000056700000000, -0.0000032200000000, -0.0005730200000000 ] - [ 0.0000071000000000, -0.0000034000000000, -0.0002598900000000 ] - [ 0.0039423700000000, -0.0000046400000000, -0.0003178700000000 ] - [ -0.0000058400000000, 0.0000037100000000, 0.0005835200000000 ] - [ 0.0027107200000000, 0.0000194600000000, -0.0000802100000000 ] - [ 0.0000057100000000, -0.0000027900000000, -0.0003260800000000 ] - [ 0.0003182600000000, 0.0000029900000000, 0.0001181800000000 ] - [ -0.0000053100000000, 0.0000037500000000, -0.0000690000000000 ] - [ 0.0000055800000000, -0.0000030300000000, 0.0003155400000000 ] - [ 0.0000053200000000, -0.0000029600000000, 0.0001485200000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008880100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008330900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014977500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006762300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012508000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1091871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011818500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016206300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013183400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017505400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013206500000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334417700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567065500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013087500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011711800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008283200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010944400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007753800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1123274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009853600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010240800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0111128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010976500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012349900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010118800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017916900000000, 0.0000115100000000, 0.0003552200000000 ] - [ 0.0000143100000000, -0.0000088200000000, 0.0002287600000000 ] - [ 0.0000137600000000, -0.0000093500000000, -0.0002781700000000 ] - [ -0.0000165800000000, 0.0000084700000000, -0.0002444000000000 ] - [ 0.0000154200000000, -0.0000093300000000, -0.0002422200000000 ] - [ -0.0000166600000000, 0.0000083100000000, -0.0001762700000000 ] - [ 0.0001574400000000, 0.0000052400000000, -0.0001329000000000 ] - [ 0.0000141300000000, -0.0000084600000000, 0.0003344000000000 ] - [ 0.0000148400000000, -0.0000081700000000, -0.0000211300000000 ] - [ 0.0000158200000000, -0.0000095400000000, 0.0002820700000000 ] - [ 0.0004827400000000, -0.0000114400000000, 0.0001437200000000 ] - [ -0.0000137800000000, 0.0000090000000000, -0.0000294200000000 ] - [ -0.0000159200000000, 0.0000091800000000, -0.0003530400000000 ] - [ 0.0603905600000000, 0.0010129100000000, 0.0006202600000000 ] - [ -0.0000166400000000, 0.0000087600000000, -0.0003304000000000 ] - [ 0.0000141700000000, -0.0000085300000000, 0.0000084000000000 ] - [ 0.0000158000000000, -0.0000099500000000, 0.0000354000000000 ] - [ -0.0000155400000000, 0.0000086500000000, 0.0001886500000000 ] - [ 0.0000153100000000, -0.0000097800000000, -0.0003086200000000 ] - [ -0.0000158400000000, 0.0000083600000000, 0.0000290900000000 ] - [ -0.0000541600000000, 0.0000092100000000, 0.0000203900000000 ] - [ -0.0000151300000000, 0.0000085200000000, -0.0000640800000000 ] - [ 0.0000162300000000, -0.0000090400000000, -0.0000671500000000 ] - [ -0.0000154600000000, 0.0000087800000000, -0.0002691100000000 ] - [ -0.0000161300000000, 0.0000087200000000, -0.0000585900000000 ] - [ 0.0000414400000000, 0.0000088900000000, -0.0000947400000000 ] - [ 0.0003254000000000, 0.0000028100000000, 0.0000452300000000 ] - [ -0.0000053800000000, 0.0000033500000000, 0.0003575800000000 ] - [ 0.0000144600000000, -0.0000038400000000, 0.0002431400000000 ] - [ 0.0039450000000000, -0.0000042700000000, 0.0001011000000000 ] - [ 0.0000055400000000, -0.0000029600000000, -0.0002918100000000 ] - [ -0.0000058200000000, 0.0000034300000000, 0.0000980100000000 ] - [ -0.0699120700000000, -0.0010499700000000, -0.0006810600000000 ] - [ -0.0000053900000000, 0.0000040000000000, 0.0004517000000000 ] - [ 0.0001028400000000, -0.0000016600000000, 0.0001312700000000 ] - [ -0.0000059300000000, 0.0000032300000000, 0.0000309100000000 ] - [ -0.0000060700000000, 0.0000037600000000, -0.0004475900000000 ] - [ 0.0027124900000000, 0.0000190300000000, 0.0004952600000000 ] - [ 0.0000055800000000, -0.0000029000000000, 0.0002309500000000 ] - [ 0.0000060200000000, -0.0000035300000000, -0.0000496200000000 ] - [ 0.0000148800000000, -0.0000026500000000, 0.0001559100000000 ] - [ -0.0000058600000000, 0.0000037700000000, -0.0000338900000000 ] - [ 0.0000071500000000, -0.0000034300000000, -0.0005535400000000 ] - [ 0.0000061900000000, -0.0000036500000000, -0.0002592200000000 ] - [ -0.0000057400000000, 0.0000033200000000, -0.0003075900000000 ] - [ -0.0000055900000000, 0.0000039700000000, 0.0005829000000000 ] - [ 0.0000066900000000, -0.0000031200000000, -0.0001010300000000 ] - [ 0.0000053100000000, -0.0000031900000000, -0.0003108100000000 ] - [ -0.0000056300000000, 0.0000036500000000, 0.0001202800000000 ] - [ -0.0000054400000000, 0.0000040700000000, -0.0000537700000000 ] - [ 0.0000050100000000, -0.0000029200000000, 0.0003120900000000 ] - [ 0.0000045700000000, -0.0000024000000000, 0.0001574900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0546041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014532100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011801000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008716400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015084700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009695600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014611100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011704700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012147600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012754200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015166600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013836300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012572600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1093463500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0115130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011294700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011484500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017516200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010695800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012695100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012953200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0565217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009107600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009870200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011325700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014366900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012706700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011302300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331588400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013371100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008442400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012009000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008847800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1122946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103974400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011715400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011624200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013950500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014549400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005882700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012628800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008610200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010048300000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000158800000000, -0.0000085400000000, 0.0002722800000000 ] - [ -0.0008511500000000, -0.0000094200000000, 0.0002254200000000 ] - [ 0.0000141700000000, -0.0000094300000000, -0.0002823500000000 ] - [ -0.0000160400000000, 0.0000086900000000, -0.0002459400000000 ] - [ 0.0000148700000000, -0.0000094000000000, -0.0002405300000000 ] - [ 0.0000427700000000, 0.0000081900000000, -0.0001730900000000 ] - [ -0.0000158400000000, 0.0000077400000000, -0.0001317400000000 ] - [ 0.0018508900000000, 0.0000116300000000, 0.0004195700000000 ] - [ 0.0000093400000000, -0.0000082700000000, -0.0000236100000000 ] - [ 0.0607962000000000, 0.0010206200000000, 0.0008856000000000 ] - [ 0.0000150700000000, -0.0000095400000000, 0.0001423900000000 ] - [ -0.0000148200000000, 0.0000088500000000, -0.0000321300000000 ] - [ -0.0000152200000000, 0.0000089300000000, -0.0003546600000000 ] - [ 0.0000153100000000, -0.0000088500000000, 0.0000145800000000 ] - [ -0.0000161100000000, 0.0000088300000000, -0.0003352200000000 ] - [ 0.0000141800000000, -0.0000084900000000, 0.0000104200000000 ] - [ 0.0004834700000000, -0.0000120900000000, 0.0000362600000000 ] - [ -0.0000151500000000, 0.0000086700000000, 0.0001843100000000 ] - [ -0.0000437700000000, -0.0000099800000000, -0.0003090500000000 ] - [ -0.0000153600000000, 0.0000083600000000, 0.0000325700000000 ] - [ -0.0000142700000000, 0.0000094400000000, 0.0000232600000000 ] - [ -0.0000148100000000, 0.0000085400000000, -0.0000620300000000 ] - [ 0.0000167900000000, -0.0000089700000000, -0.0000634600000000 ] - [ -0.0000149100000000, 0.0000085900000000, -0.0002714800000000 ] - [ -0.0000158500000000, 0.0000087000000000, -0.0000599700000000 ] - [ -0.0000155600000000, 0.0000087400000000, -0.0001016500000000 ] - [ -0.0000058100000000, 0.0000037900000000, 0.0000429500000000 ] - [ 0.0039528700000000, -0.0000048800000000, 0.0003648600000000 ] - [ 0.0000060500000000, -0.0000029200000000, 0.0002195400000000 ] - [ -0.0000055200000000, 0.0000033200000000, 0.0001424700000000 ] - [ 0.0000057500000000, -0.0000029800000000, -0.0002940000000000 ] - [ -0.0000026500000000, 0.0000038000000000, 0.0000966400000000 ] - [ -0.0000049100000000, 0.0000035900000000, 0.0000043700000000 ] - [ -0.0708365500000000, -0.0010578700000000, -0.0002528900000000 ] - [ 0.0000072400000000, -0.0000032500000000, 0.0001586800000000 ] - [ -0.0000054800000000, 0.0000035200000000, 0.0000226600000000 ] - [ 0.0039520400000000, 0.0000253200000000, -0.0004314700000000 ] - [ 0.0000059700000000, -0.0000030600000000, 0.0004729700000000 ] - [ 0.0000057000000000, -0.0000031400000000, 0.0002362900000000 ] - [ 0.0000062700000000, -0.0000033200000000, -0.0000133300000000 ] - [ 0.0000152900000000, -0.0000029500000000, 0.0001396100000000 ] - [ -0.0000059500000000, 0.0000034100000000, -0.0000066300000000 ] - [ 0.0000057400000000, -0.0000031600000000, -0.0005655700000000 ] - [ 0.0000062900000000, -0.0000033900000000, -0.0002537000000000 ] - [ 0.0000217400000000, 0.0000034600000000, -0.0003090600000000 ] - [ 0.0003270300000000, 0.0000032800000000, 0.0005790800000000 ] - [ 0.0000064500000000, -0.0000033300000000, -0.0000992800000000 ] - [ 0.0000056000000000, -0.0000027300000000, -0.0003196100000000 ] - [ 0.0003203300000000, 0.0000044300000000, 0.0001193800000000 ] - [ -0.0000049900000000, 0.0000036600000000, -0.0000681400000000 ] - [ 0.0000056300000000, -0.0000030900000000, 0.0003098300000000 ] - [ 0.0000057900000000, -0.0000030500000000, 0.0001445600000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008717100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003621700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014405300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0545928000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011700800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014927300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011256100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009599500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015070100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012034600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109222900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013675400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1079724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102956500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008933600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008381500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013215200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012839700000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008693800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008914700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009938400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0563912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011301000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328712300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011170000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011576600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010818700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010403400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014418000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011456200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1118851800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009077900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011503600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016943400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012130400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008397800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009876800000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000260800000000, -0.0000084000000000, 0.0002677900000000 ] - [ 0.0000145100000000, -0.0000088000000000, 0.0002268500000000 ] - [ 0.0000138100000000, -0.0000093700000000, -0.0002812300000000 ] - [ -0.0000156300000000, 0.0000086400000000, -0.0002441900000000 ] - [ 0.0000152000000000, -0.0000093500000000, -0.0002392500000000 ] - [ -0.0008772100000000, 0.0000089000000000, -0.0001732100000000 ] - [ 0.0017898500000000, -0.0000123000000000, -0.0000414100000000 ] - [ 0.0000086600000000, -0.0000084400000000, 0.0003291400000000 ] - [ 0.0000147100000000, -0.0000081800000000, -0.0000200200000000 ] - [ 0.0000154300000000, -0.0000094400000000, 0.0002830100000000 ] - [ 0.0000166300000000, -0.0000094100000000, 0.0001432600000000 ] - [ -0.0000149700000000, 0.0000089000000000, -0.0000313600000000 ] - [ -0.0000158200000000, 0.0000090300000000, -0.0003523800000000 ] - [ 0.0006535900000000, -0.0000068100000000, 0.0000151100000000 ] - [ -0.0000164100000000, 0.0000087500000000, -0.0003332200000000 ] - [ 0.0000137300000000, -0.0000084800000000, 0.0000102600000000 ] - [ 0.0000083800000000, -0.0000099000000000, 0.0000338100000000 ] - [ -0.0000153300000000, 0.0000086500000000, 0.0001828400000000 ] - [ 0.0000154300000000, -0.0000096900000000, -0.0003068100000000 ] - [ -0.0000157200000000, 0.0000083200000000, 0.0000295500000000 ] - [ 0.0608436800000000, -0.0010215200000000, 0.0006251900000000 ] - [ -0.0000149800000000, 0.0000084800000000, -0.0000627900000000 ] - [ 0.0000163800000000, -0.0000089400000000, -0.0000649200000000 ] - [ -0.0000154600000000, 0.0000086100000000, -0.0002689200000000 ] - [ -0.0000158700000000, 0.0000086900000000, -0.0000580900000000 ] - [ -0.0000156200000000, 0.0000088600000000, -0.0000979100000000 ] - [ -0.0000045300000000, 0.0000035100000000, 0.0000458500000000 ] - [ 0.0000114700000000, 0.0000032100000000, 0.0003794600000000 ] - [ 0.0000057000000000, -0.0000037100000000, 0.0002340000000000 ] - [ 0.0000115500000000, 0.0000035800000000, 0.0001188400000000 ] - [ 0.0000056400000000, -0.0000029600000000, -0.0002915100000000 ] - [ -0.0000054900000000, 0.0000035900000000, 0.0000911200000000 ] - [ 0.0000920000000000, 0.0000039800000000, 0.0000133600000000 ] - [ -0.0000040900000000, 0.0000036200000000, 0.0004495700000000 ] - [ -0.0708957900000000, 0.0010591700000000, -0.0005575800000000 ] - [ -0.0000059900000000, 0.0000032700000000, 0.0000255200000000 ] - [ -0.0000061900000000, 0.0000036100000000, -0.0004492600000000 ] - [ 0.0041056400000000, 0.0000042800000000, 0.0004717900000000 ] - [ 0.0000056300000000, -0.0000029600000000, 0.0002472100000000 ] - [ 0.0000059600000000, -0.0000034100000000, -0.0000271300000000 ] - [ 0.0039572500000000, -0.0000242000000000, 0.0001647900000000 ] - [ -0.0000059400000000, 0.0000036900000000, -0.0000183600000000 ] - [ 0.0000057900000000, -0.0000033200000000, -0.0005710100000000 ] - [ 0.0000062100000000, -0.0000035600000000, -0.0002631700000000 ] - [ -0.0000058700000000, 0.0000032700000000, -0.0003168400000000 ] - [ 0.0002771100000000, 0.0000031200000000, 0.0005821600000000 ] - [ 0.0000064500000000, -0.0000032300000000, -0.0001011300000000 ] - [ 0.0000056500000000, -0.0000031200000000, -0.0003229300000000 ] - [ -0.0000058800000000, 0.0000034700000000, 0.0001206800000000 ] - [ -0.0000053800000000, 0.0000038800000000, -0.0000648400000000 ] - [ 0.0000053400000000, -0.0000029700000000, 0.0003139200000000 ] - [ 0.0000046900000000, -0.0000026100000000, 0.0001543800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013800200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0543553400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010133700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011701500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011284000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011247700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009534800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326539100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011925600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014794200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013684500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008324800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012456200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1084951200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006787200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008340200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008298200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014590300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012952700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008627600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008910000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012972300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007783800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010877500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010343200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014226900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1118090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008906700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011023300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014722100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010072400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010017900000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000153400000000, -0.0000085200000000, 0.0002691400000000 ] - [ 0.0000145900000000, -0.0000088100000000, 0.0002261800000000 ] - [ 0.0599896100000000, 0.0010270800000000, 0.0003206900000000 ] - [ -0.0000160200000000, 0.0000087000000000, -0.0002422400000000 ] - [ 0.0000152800000000, -0.0000093700000000, -0.0002399000000000 ] - [ -0.0000150500000000, 0.0000083600000000, -0.0001716700000000 ] - [ -0.0000162400000000, 0.0000078000000000, -0.0001329600000000 ] - [ 0.0000141600000000, -0.0000084600000000, 0.0003273600000000 ] - [ 0.0000147100000000, -0.0000082200000000, -0.0000212900000000 ] - [ 0.0000157800000000, -0.0000094300000000, 0.0002834700000000 ] - [ 0.0000148900000000, -0.0000095300000000, 0.0001415200000000 ] - [ -0.0000151000000000, 0.0000089100000000, -0.0000309500000000 ] - [ 0.0026121300000000, 0.0000227000000000, -0.0002610300000000 ] - [ 0.0000151000000000, -0.0000088200000000, 0.0000155000000000 ] - [ -0.0000156900000000, 0.0000088600000000, -0.0003364000000000 ] - [ -0.0000472400000000, -0.0000087300000000, 0.0000111100000000 ] - [ 0.0000156500000000, -0.0000098300000000, 0.0000340800000000 ] - [ -0.0000121600000000, 0.0000087100000000, 0.0001810700000000 ] - [ 0.0000156500000000, -0.0000096500000000, -0.0003070900000000 ] - [ -0.0000151400000000, 0.0000084000000000, 0.0000299400000000 ] - [ -0.0000158900000000, 0.0000094700000000, 0.0000213200000000 ] - [ -0.0000155500000000, 0.0000085500000000, -0.0000655400000000 ] - [ -0.0008535500000000, -0.0000089200000000, -0.0000653300000000 ] - [ 0.0003069300000000, 0.0000118000000000, -0.0002699400000000 ] - [ 0.0000206200000000, 0.0000088600000000, -0.0000585500000000 ] - [ -0.0000160500000000, 0.0000088000000000, -0.0001003200000000 ] - [ -0.0000058700000000, 0.0000036100000000, 0.0000464000000000 ] - [ -0.0000058400000000, 0.0000033500000000, 0.0003713000000000 ] - [ 0.0000057600000000, -0.0000034200000000, 0.0002271500000000 ] - [ -0.0000057600000000, 0.0000033400000000, 0.0001307900000000 ] - [ 0.0000282000000000, -0.0000029000000000, -0.0002918300000000 ] - [ -0.0000057300000000, 0.0000037000000000, 0.0000916500000000 ] - [ -0.0000052300000000, 0.0000033000000000, 0.0000091600000000 ] - [ -0.0000057500000000, 0.0000035500000000, 0.0004512100000000 ] - [ 0.0000055900000000, -0.0000031700000000, 0.0001518000000000 ] - [ -0.0695027200000000, -0.0010888000000000, -0.0006937000000000 ] - [ -0.0000062100000000, 0.0000037200000000, -0.0004507200000000 ] - [ 0.0000058000000000, -0.0000032400000000, 0.0004768900000000 ] - [ 0.0000080500000000, -0.0000029900000000, 0.0002409800000000 ] - [ 0.0000074600000000, -0.0000033900000000, -0.0000237800000000 ] - [ 0.0000060000000000, -0.0000028100000000, 0.0001429800000000 ] - [ 0.0040947700000000, 0.0000226100000000, 0.0000063900000000 ] - [ 0.0000056900000000, -0.0000033000000000, -0.0005678200000000 ] - [ 0.0002899600000000, -0.0000023600000000, -0.0002586100000000 ] - [ -0.0000058900000000, 0.0000033200000000, -0.0003110400000000 ] - [ -0.0000061600000000, 0.0000038300000000, 0.0005830600000000 ] - [ 0.0000064900000000, -0.0000032800000000, -0.0000977000000000 ] - [ 0.0027107500000000, 0.0000144200000000, -0.0003141300000000 ] - [ -0.0000056700000000, 0.0000033800000000, 0.0001193800000000 ] - [ 0.0003257800000000, 0.0000045900000000, -0.0000646100000000 ] - [ 0.0000284900000000, -0.0000029600000000, 0.0003150800000000 ] - [ 0.0000052600000000, -0.0000028000000000, 0.0001515300000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009306200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0322976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013052100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011815000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0534326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015126300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012001700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011357500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011410700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012371800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015178700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008607300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108116400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011694800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013034000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333157400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009085300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009837000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014377800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013138500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565751000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008405700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013463600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008461500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010961100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011178100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010543100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011297500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010104400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011613400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007044700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1112523400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011719600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014849500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008647900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010090200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000153500000000, -0.0000085500000000, 0.0002712400000000 ] - [ 0.0608256000000000, 0.0010216400000000, 0.0008292300000000 ] - [ 0.0000144100000000, -0.0000094100000000, -0.0002832900000000 ] - [ -0.0000160900000000, 0.0000086800000000, -0.0002433700000000 ] - [ 0.0000096800000000, -0.0000094200000000, -0.0002405900000000 ] - [ -0.0000094600000000, 0.0000083200000000, -0.0001726500000000 ] - [ -0.0000154100000000, 0.0000077700000000, -0.0001328400000000 ] - [ 0.0004808200000000, -0.0000107900000000, 0.0003283900000000 ] - [ -0.0000441100000000, -0.0000085800000000, -0.0000222100000000 ] - [ 0.0018548100000000, 0.0000107300000000, 0.0003718400000000 ] - [ 0.0000151300000000, -0.0000095400000000, 0.0001417100000000 ] - [ -0.0000146700000000, 0.0000088600000000, -0.0000309900000000 ] - [ -0.0000154400000000, 0.0000089200000000, -0.0003533300000000 ] - [ 0.0000158100000000, -0.0000088300000000, 0.0000152600000000 ] - [ -0.0000162200000000, 0.0000088300000000, -0.0003367100000000 ] - [ 0.0000143100000000, -0.0000084700000000, 0.0000113800000000 ] - [ 0.0000582300000000, -0.0000099100000000, 0.0000346600000000 ] - [ -0.0000151600000000, 0.0000086700000000, 0.0001832000000000 ] - [ -0.0008504400000000, -0.0000102300000000, -0.0003077800000000 ] - [ -0.0000151600000000, 0.0000083900000000, 0.0000308100000000 ] - [ -0.0000152900000000, 0.0000094600000000, 0.0000227300000000 ] - [ -0.0000147500000000, 0.0000085300000000, -0.0000640800000000 ] - [ 0.0000167600000000, -0.0000089700000000, -0.0000640800000000 ] - [ -0.0000151400000000, 0.0000085800000000, -0.0002700300000000 ] - [ -0.0000157100000000, 0.0000087000000000, -0.0000591300000000 ] - [ -0.0000157800000000, 0.0000087200000000, -0.0001012600000000 ] - [ -0.0000058600000000, 0.0000038900000000, 0.0000436600000000 ] - [ 0.0003196000000000, 0.0000030900000000, 0.0003742400000000 ] - [ 0.0000061200000000, -0.0000028600000000, 0.0002194700000000 ] - [ -0.0000055000000000, 0.0000032900000000, 0.0001441300000000 ] - [ 0.0000056500000000, -0.0000029900000000, -0.0002940300000000 ] - [ 0.0000218100000000, 0.0000038800000000, 0.0000924200000000 ] - [ -0.0000049800000000, 0.0000036700000000, 0.0000032800000000 ] - [ 0.0039521500000000, -0.0000050500000000, 0.0004441100000000 ] - [ 0.0000057800000000, -0.0000032600000000, 0.0001615300000000 ] - [ -0.0000053900000000, 0.0000034800000000, 0.0000229800000000 ] - [ -0.0708677700000000, -0.0010582600000000, -0.0011594800000000 ] - [ 0.0000059400000000, -0.0000030000000000, 0.0004736300000000 ] - [ 0.0000060100000000, -0.0000031400000000, 0.0002428500000000 ] - [ 0.0000063100000000, -0.0000032700000000, -0.0000113300000000 ] - [ 0.0000071600000000, -0.0000029200000000, 0.0001373300000000 ] - [ -0.0000059600000000, 0.0000033700000000, -0.0000043700000000 ] - [ 0.0000057500000000, -0.0000031200000000, -0.0005683600000000 ] - [ 0.0000062900000000, -0.0000033400000000, -0.0002552100000000 ] - [ 0.0003202300000000, 0.0000044500000000, -0.0003123700000000 ] - [ 0.0000223900000000, 0.0000035800000000, 0.0005824300000000 ] - [ 0.0000084600000000, -0.0000033100000000, -0.0000969100000000 ] - [ 0.0000055200000000, -0.0000026500000000, -0.0003232200000000 ] - [ 0.0039515100000000, 0.0000249200000000, 0.0001389700000000 ] - [ -0.0000050800000000, 0.0000036400000000, -0.0000694500000000 ] - [ 0.0000059300000000, -0.0000031000000000, 0.0003116400000000 ] - [ 0.0000058300000000, -0.0000031000000000, 0.0001439500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008707000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329036100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0544966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011792200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009520500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001694600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011203900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012003300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012055200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012006700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013791400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012702300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008398700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011855300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1088964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016312000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013726000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008934600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010953800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012950600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008709900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009714900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010234500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0563925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010807100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010365100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011119600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009339700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1109790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006846500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009029700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011503900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013872000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005816000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104715900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009953400000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003374600000000, -0.0000117300000000, 0.0002717900000000 ] - [ 0.0000144300000000, -0.0000088600000000, 0.0002253500000000 ] - [ 0.0000138400000000, -0.0000094600000000, -0.0002830500000000 ] - [ -0.0000162600000000, 0.0000086400000000, -0.0002455300000000 ] - [ 0.0000152400000000, -0.0000094300000000, -0.0002409600000000 ] - [ -0.0000762200000000, 0.0000084800000000, -0.0001727600000000 ] - [ 0.0599448000000000, -0.0010279300000000, 0.0004695200000000 ] - [ 0.0000136800000000, -0.0000085300000000, 0.0003292600000000 ] - [ 0.0000146600000000, -0.0000082800000000, -0.0000236100000000 ] - [ 0.0000161200000000, -0.0000094100000000, 0.0002821000000000 ] - [ 0.0000514500000000, -0.0000097000000000, 0.0001414000000000 ] - [ -0.0000148300000000, 0.0000088300000000, -0.0000316500000000 ] - [ -0.0000157600000000, 0.0000089200000000, -0.0003545100000000 ] - [ 0.0026433000000000, -0.0000226600000000, 0.0001062300000000 ] - [ -0.0000163100000000, 0.0000088000000000, -0.0003357600000000 ] - [ 0.0000139800000000, -0.0000085000000000, 0.0000108900000000 ] - [ 0.0000164000000000, -0.0000098500000000, 0.0000360000000000 ] - [ -0.0000152800000000, 0.0000086500000000, 0.0001843400000000 ] - [ 0.0000152000000000, -0.0000096800000000, -0.0003092600000000 ] - [ -0.0000155600000000, 0.0000083600000000, 0.0000317400000000 ] - [ -0.0008855700000000, 0.0000093800000000, 0.0000233000000000 ] - [ -0.0000144600000000, 0.0000085500000000, -0.0000630100000000 ] - [ 0.0000163300000000, -0.0000090000000000, -0.0000638300000000 ] - [ -0.0000152800000000, 0.0000085800000000, -0.0002710600000000 ] - [ -0.0000160700000000, 0.0000086800000000, -0.0000601300000000 ] - [ -0.0000111200000000, 0.0000086900000000, -0.0001017700000000 ] - [ 0.0000168500000000, 0.0000037900000000, 0.0000435900000000 ] - [ -0.0000045000000000, 0.0000034800000000, 0.0003773700000000 ] - [ 0.0000069100000000, -0.0000028100000000, 0.0002193700000000 ] - [ 0.0002775900000000, 0.0000021700000000, 0.0001458500000000 ] - [ 0.0000054800000000, -0.0000030100000000, -0.0002943700000000 ] - [ -0.0000055500000000, 0.0000038000000000, 0.0000928100000000 ] - [ 0.0027011500000000, -0.0000136800000000, 0.0000100100000000 ] - [ -0.0000054600000000, 0.0000032500000000, 0.0004472800000000 ] - [ 0.0041055100000000, -0.0000223100000000, 0.0001855200000000 ] - [ -0.0000056800000000, 0.0000034600000000, 0.0000226500000000 ] - [ -0.0000058200000000, 0.0000037100000000, -0.0004522100000000 ] - [ -0.0694781400000000, 0.0010884100000000, -0.0002512600000000 ] - [ 0.0000055600000000, -0.0000032000000000, 0.0002457200000000 ] - [ 0.0000059900000000, -0.0000032900000000, -0.0000057700000000 ] - [ 0.0003370100000000, -0.0000037500000000, 0.0001357900000000 ] - [ -0.0000063200000000, 0.0000033200000000, -0.0000007500000000 ] - [ 0.0000057100000000, -0.0000031200000000, -0.0005694600000000 ] - [ 0.0000060700000000, -0.0000033600000000, -0.0002550600000000 ] - [ -0.0000056500000000, 0.0000034200000000, -0.0003128300000000 ] - [ 0.0000171800000000, 0.0000035400000000, 0.0005811400000000 ] - [ 0.0000057900000000, -0.0000033500000000, -0.0000976600000000 ] - [ 0.0000053700000000, -0.0000026200000000, -0.0003242200000000 ] - [ -0.0000054900000000, 0.0000033600000000, 0.0001190300000000 ] - [ -0.0000052900000000, 0.0000035700000000, -0.0000709900000000 ] - [ 0.0000056800000000, -0.0000031200000000, 0.0003108800000000 ] - [ 0.0000058600000000, -0.0000031900000000, 0.0001425500000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008727700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014544600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010524600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014637200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011382400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001654200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008597400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016075500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1077970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013861500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010719700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008498400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014813900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013024100000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014125800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009091500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009153700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331679200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011374600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011302300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0562013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008464400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012051600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009403200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006714800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116735200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012141500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016944500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014395300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012816000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014684900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008722000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009889300000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000150800000000, -0.0000085500000000, 0.0002694600000000 ] - [ 0.0000148000000000, -0.0000088200000000, 0.0002265600000000 ] - [ 0.0000141300000000, -0.0000093700000000, -0.0002823300000000 ] - [ -0.0000162000000000, 0.0000086800000000, -0.0002420100000000 ] - [ 0.0006533500000000, -0.0000074100000000, -0.0002403600000000 ] - [ -0.0000153500000000, 0.0000083500000000, -0.0001714200000000 ] - [ -0.0000155300000000, 0.0000078000000000, -0.0001326100000000 ] - [ 0.0000140400000000, -0.0000084700000000, 0.0003276500000000 ] - [ 0.0000258800000000, -0.0000080700000000, -0.0000210500000000 ] - [ 0.0000157600000000, -0.0000094500000000, 0.0002839500000000 ] - [ 0.0000147200000000, -0.0000095200000000, 0.0001420500000000 ] - [ -0.0000148500000000, 0.0000089000000000, -0.0000306900000000 ] - [ -0.0000215300000000, 0.0000090100000000, -0.0003522000000000 ] - [ 0.0000153400000000, -0.0000088200000000, 0.0000157900000000 ] - [ -0.0000165000000000, 0.0000088200000000, -0.0003360000000000 ] - [ 0.0000139600000000, -0.0000084600000000, 0.0000114500000000 ] - [ 0.0000157800000000, -0.0000098400000000, 0.0000343600000000 ] - [ 0.0607641300000000, -0.0010208000000000, 0.0007837800000000 ] - [ 0.0000171900000000, -0.0000096600000000, -0.0003067300000000 ] - [ 0.0017997000000000, -0.0000117600000000, 0.0001198700000000 ] - [ -0.0000157900000000, 0.0000094600000000, 0.0000217300000000 ] - [ -0.0000151000000000, 0.0000085200000000, -0.0000651100000000 ] - [ 0.0000164300000000, -0.0000089800000000, -0.0000653200000000 ] - [ -0.0000746400000000, 0.0000088700000000, -0.0002694700000000 ] - [ -0.0008806100000000, 0.0000092600000000, -0.0000582000000000 ] - [ -0.0000164100000000, 0.0000087700000000, -0.0001000600000000 ] - [ -0.0000058800000000, 0.0000035400000000, 0.0000462900000000 ] - [ -0.0000057000000000, 0.0000032800000000, 0.0003703200000000 ] - [ 0.0000058000000000, -0.0000034700000000, 0.0002266900000000 ] - [ -0.0000055800000000, 0.0000033700000000, 0.0001300300000000 ] - [ 0.0039629500000000, -0.0000244700000000, -0.0002715200000000 ] - [ 0.0000911500000000, 0.0000045600000000, 0.0000899900000000 ] - [ -0.0000051500000000, 0.0000032400000000, 0.0000090800000000 ] - [ -0.0000057100000000, 0.0000035400000000, 0.0004514400000000 ] - [ 0.0000057200000000, -0.0000031800000000, 0.0001510200000000 ] - [ -0.0000034400000000, 0.0000033900000000, 0.0000282300000000 ] - [ -0.0000059400000000, 0.0000036500000000, -0.0004506800000000 ] - [ 0.0000060000000000, -0.0000033100000000, 0.0004770200000000 ] - [ -0.0708262700000000, 0.0010577600000000, -0.0004687100000000 ] - [ 0.0000061200000000, -0.0000033600000000, -0.0000246200000000 ] - [ 0.0000058800000000, -0.0000028300000000, 0.0001431200000000 ] - [ -0.0000057300000000, 0.0000036200000000, -0.0000165400000000 ] - [ 0.0000056200000000, -0.0000033300000000, -0.0005686400000000 ] - [ 0.0003313200000000, -0.0000045100000000, -0.0002580900000000 ] - [ 0.0000114700000000, 0.0000033700000000, -0.0003109300000000 ] - [ -0.0000064300000000, 0.0000038300000000, 0.0005832700000000 ] - [ 0.0041027800000000, 0.0000045300000000, -0.0001008900000000 ] - [ 0.0000325400000000, -0.0000031100000000, -0.0003213400000000 ] - [ -0.0000044600000000, 0.0000033500000000, 0.0001195300000000 ] - [ -0.0000055000000000, 0.0000038400000000, -0.0000648400000000 ] - [ 0.0000055200000000, -0.0000030000000000, 0.0003156500000000 ] - [ 0.0000051400000000, -0.0000027500000000, 0.0001520200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008674400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013881700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008080600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011670600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014972600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011174600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014891300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014498900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0543967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011178700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012016000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014608800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013692900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011537800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1083704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012823100000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011266300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014192100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012934600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011077500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011511900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008133900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011460700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008326000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567965800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011049300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009897600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015872000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1117923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014369100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008405700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009839700000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000153000000000, -0.0000085700000000, 0.0002700600000000 ] - [ 0.0000147700000000, -0.0000088500000000, 0.0002260600000000 ] - [ 0.0000158600000000, -0.0000094300000000, -0.0002832200000000 ] - [ -0.0008813600000000, 0.0000092400000000, -0.0002426900000000 ] - [ 0.0000153200000000, -0.0000094200000000, -0.0002390400000000 ] - [ -0.0000147800000000, 0.0000083300000000, -0.0001708900000000 ] - [ -0.0000156200000000, 0.0000078100000000, -0.0001324000000000 ] - [ 0.0000145100000000, -0.0000084900000000, 0.0003264400000000 ] - [ 0.0000152000000000, -0.0000082600000000, -0.0000205000000000 ] - [ 0.0000159900000000, -0.0000094800000000, 0.0002835000000000 ] - [ 0.0000151800000000, -0.0000095000000000, 0.0001418300000000 ] - [ -0.0000740200000000, 0.0000090800000000, -0.0000303200000000 ] - [ -0.0000151700000000, 0.0000089700000000, -0.0003520900000000 ] - [ 0.0000152100000000, -0.0000088400000000, 0.0000161000000000 ] - [ 0.0017882600000000, -0.0000113400000000, -0.0002472500000000 ] - [ 0.0006525300000000, -0.0000065100000000, 0.0000108700000000 ] - [ 0.0000159600000000, -0.0000098400000000, 0.0000340500000000 ] - [ -0.0000151200000000, 0.0000086700000000, 0.0001801100000000 ] - [ 0.0000155900000000, -0.0000097100000000, -0.0003072600000000 ] - [ -0.0000153600000000, 0.0000083600000000, 0.0000296500000000 ] - [ -0.0000156700000000, 0.0000094400000000, 0.0000222700000000 ] - [ 0.0608359600000000, -0.0010221900000000, 0.0005375800000000 ] - [ 0.0000275700000000, -0.0000088300000000, -0.0000650000000000 ] - [ -0.0000150000000000, 0.0000086000000000, -0.0002686300000000 ] - [ -0.0000151500000000, 0.0000086800000000, -0.0000584200000000 ] - [ -0.0000214100000000, 0.0000087800000000, -0.0001004800000000 ] - [ -0.0000033400000000, 0.0000035900000000, 0.0000441700000000 ] - [ -0.0000055500000000, 0.0000033900000000, 0.0003730300000000 ] - [ 0.0000331600000000, -0.0000032900000000, 0.0002238100000000 ] - [ -0.0000053100000000, 0.0000034700000000, 0.0001350700000000 ] - [ 0.0000059600000000, -0.0000029900000000, -0.0002922800000000 ] - [ -0.0000052900000000, 0.0000036800000000, 0.0000932600000000 ] - [ -0.0000050900000000, 0.0000034300000000, 0.0000074200000000 ] - [ -0.0000054200000000, 0.0000035000000000, 0.0004503500000000 ] - [ 0.0000058300000000, -0.0000032400000000, 0.0001552800000000 ] - [ -0.0000042300000000, 0.0000034100000000, 0.0000239300000000 ] - [ -0.0000058500000000, 0.0000037000000000, -0.0004513000000000 ] - [ 0.0000061300000000, -0.0000032600000000, 0.0004740900000000 ] - [ 0.0000059400000000, -0.0000030400000000, 0.0002414200000000 ] - [ -0.0709051500000000, 0.0010586300000000, -0.0007224700000000 ] - [ 0.0000061900000000, -0.0000029100000000, 0.0001410700000000 ] - [ 0.0000113700000000, 0.0000035600000000, -0.0000109900000000 ] - [ 0.0003313100000000, -0.0000042600000000, -0.0005683100000000 ] - [ 0.0000064500000000, -0.0000034700000000, -0.0002577300000000 ] - [ -0.0000055900000000, 0.0000033800000000, -0.0003110900000000 ] - [ -0.0000059700000000, 0.0000037200000000, 0.0005834600000000 ] - [ 0.0000064700000000, -0.0000032700000000, -0.0000986200000000 ] - [ 0.0000056700000000, -0.0000028800000000, -0.0003219700000000 ] - [ -0.0000055700000000, 0.0000034100000000, 0.0001194500000000 ] - [ 0.0000918600000000, 0.0000046800000000, -0.0000685200000000 ] - [ 0.0041053500000000, 0.0000047400000000, 0.0003095800000000 ] - [ 0.0039661400000000, -0.0000243800000000, 0.0001675600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014355600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012805200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011598300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008504100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010076700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0541112400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011329900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009520200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011168600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011947400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012418200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013693700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008463400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012439800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006819000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1087252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011168800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006330700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012545700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109065500000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014095900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013574400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014620600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014179200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012915500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0572453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011479200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011826500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013232400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008634500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010394200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009954500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014295900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005703400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012619300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010255300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012572800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105442200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104383700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000162000000000, -0.0000085500000000, 0.0002715800000000 ] - [ 0.0000146700000000, -0.0000087700000000, 0.0002253900000000 ] - [ 0.0000138700000000, -0.0000094300000000, -0.0002862600000000 ] - [ -0.0000162100000000, 0.0000086900000000, -0.0002443800000000 ] - [ 0.0000151000000000, -0.0000093900000000, -0.0002373600000000 ] - [ 0.0603603000000000, -0.0010126100000000, 0.0004348300000000 ] - [ 0.0004525000000000, 0.0000100200000000, -0.0001356300000000 ] - [ -0.0000240400000000, -0.0000081600000000, 0.0003258200000000 ] - [ 0.0000148800000000, -0.0000082200000000, -0.0000218900000000 ] - [ 0.0000142000000000, -0.0000093100000000, 0.0002829500000000 ] - [ 0.0000143800000000, -0.0000096400000000, 0.0001413900000000 ] - [ -0.0000144400000000, 0.0000088500000000, -0.0000296900000000 ] - [ -0.0000159300000000, 0.0000089900000000, -0.0003512500000000 ] - [ 0.0000723400000000, -0.0000087900000000, 0.0000167300000000 ] - [ -0.0000165100000000, 0.0000088000000000, -0.0003412900000000 ] - [ 0.0000141200000000, -0.0000084000000000, 0.0000134100000000 ] - [ 0.0001891400000000, -0.0000072000000000, 0.0000280800000000 ] - [ -0.0000153400000000, 0.0000086600000000, 0.0001805300000000 ] - [ 0.0000153800000000, -0.0000096200000000, -0.0003089000000000 ] - [ -0.0000155700000000, 0.0000083600000000, 0.0000276300000000 ] - [ 0.0017605800000000, -0.0000108800000000, 0.0001123100000000 ] - [ -0.0000148300000000, 0.0000085100000000, -0.0000658300000000 ] - [ 0.0000167600000000, -0.0000089500000000, -0.0000642100000000 ] - [ -0.0000151100000000, 0.0000086300000000, -0.0002691100000000 ] - [ -0.0000158500000000, 0.0000087000000000, -0.0000598200000000 ] - [ -0.0000157500000000, 0.0000088500000000, -0.0001009300000000 ] - [ -0.0000059900000000, 0.0000040000000000, 0.0000464600000000 ] - [ 0.0000911700000000, 0.0000019100000000, 0.0003732100000000 ] - [ 0.0000059900000000, -0.0000032800000000, 0.0002298200000000 ] - [ -0.0000043800000000, 0.0000033100000000, 0.0001299500000000 ] - [ 0.0000056000000000, -0.0000029700000000, -0.0002907600000000 ] - [ -0.0000055900000000, 0.0000037700000000, 0.0000909700000000 ] - [ 0.0000038900000000, 0.0000034600000000, 0.0000118700000000 ] - [ 0.0000035900000000, 0.0000033500000000, 0.0004557300000000 ] - [ 0.0039567700000000, 0.0000048200000000, 0.0001448800000000 ] - [ -0.0000055800000000, 0.0000034100000000, 0.0000283400000000 ] - [ -0.0000050700000000, 0.0000036900000000, -0.0004524800000000 ] - [ 0.0003368400000000, -0.0000027300000000, 0.0004739600000000 ] - [ 0.0000055300000000, -0.0000032400000000, 0.0002440500000000 ] - [ 0.0000060000000000, -0.0000033900000000, -0.0000226800000000 ] - [ -0.0699068800000000, 0.0010490100000000, -0.0005540100000000 ] - [ -0.0000060000000000, 0.0000035500000000, -0.0000141500000000 ] - [ 0.0000058500000000, -0.0000032900000000, -0.0005613500000000 ] - [ 0.0000061600000000, -0.0000034900000000, -0.0002564100000000 ] - [ -0.0000058100000000, 0.0000032400000000, -0.0003100000000000 ] - [ 0.0027008200000000, -0.0000189600000000, 0.0005896900000000 ] - [ 0.0000060900000000, -0.0000033000000000, -0.0001005700000000 ] - [ 0.0000055200000000, -0.0000028800000000, -0.0003199900000000 ] - [ -0.0000054400000000, 0.0000034400000000, 0.0001202500000000 ] - [ -0.0000050900000000, 0.0000034900000000, -0.0000618800000000 ] - [ 0.0000055500000000, -0.0000029900000000, 0.0003076300000000 ] - [ 0.0000056100000000, -0.0000030500000000, 0.0001533400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008886700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013942800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008620100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011772000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008720400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011595800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006788000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014604000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015479900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008509900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012645500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011767100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011968000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1092042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011209300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005898100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008494800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0116239900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008489700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012688400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011089800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013034500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015205100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011194800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008322700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010897200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010898400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010662800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011639000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1124853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011545400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012673300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012306200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010057900000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000152500000000, -0.0000085700000000, 0.0002663700000000 ] - [ 0.0000145400000000, -0.0000088000000000, 0.0002269200000000 ] - [ 0.0018185400000000, 0.0000106800000000, -0.0001899800000000 ] - [ -0.0000164600000000, 0.0000086400000000, -0.0002440100000000 ] - [ 0.0000151200000000, -0.0000092800000000, -0.0002408200000000 ] - [ -0.0000149100000000, 0.0000083500000000, -0.0001745100000000 ] - [ -0.0000155400000000, 0.0000079700000000, -0.0001313600000000 ] - [ 0.0000141400000000, -0.0000084500000000, 0.0003309500000000 ] - [ 0.0000152200000000, -0.0000081800000000, -0.0000212600000000 ] - [ 0.0000158700000000, -0.0000094200000000, 0.0002825700000000 ] - [ 0.0000147500000000, -0.0000093500000000, 0.0001430200000000 ] - [ -0.0000148700000000, 0.0000089900000000, -0.0000318500000000 ] - [ 0.0006230700000000, 0.0000071300000000, -0.0003541800000000 ] - [ 0.0000153400000000, -0.0000087100000000, 0.0000153100000000 ] - [ -0.0000237000000000, 0.0000088900000000, -0.0003323200000000 ] - [ -0.0008482800000000, -0.0000089800000000, 0.0000091100000000 ] - [ 0.0000158500000000, -0.0000098800000000, 0.0000339600000000 ] - [ -0.0000150700000000, 0.0000087100000000, 0.0001840800000000 ] - [ 0.0000155600000000, -0.0000097000000000, -0.0003074800000000 ] - [ -0.0000157700000000, 0.0000083900000000, 0.0000293800000000 ] - [ -0.0000155500000000, 0.0000095000000000, 0.0000214300000000 ] - [ -0.0000204000000000, 0.0000085100000000, -0.0000641900000000 ] - [ 0.0608821000000000, 0.0010226400000000, 0.0005373300000000 ] - [ -0.0000041200000000, 0.0000086400000000, -0.0002702600000000 ] - [ -0.0000140900000000, 0.0000087000000000, -0.0000583600000000 ] - [ -0.0000158600000000, 0.0000089500000000, -0.0000969600000000 ] - [ -0.0000056800000000, 0.0000035200000000, 0.0000464800000000 ] - [ -0.0000055300000000, 0.0000032600000000, 0.0003819500000000 ] - [ 0.0000057800000000, -0.0000039300000000, 0.0002372600000000 ] - [ -0.0000056200000000, 0.0000035100000000, 0.0001155700000000 ] - [ 0.0000071900000000, -0.0000029600000000, -0.0002905300000000 ] - [ -0.0000054900000000, 0.0000035700000000, 0.0000892300000000 ] - [ -0.0000049100000000, 0.0000030500000000, 0.0000160200000000 ] - [ -0.0000055700000000, 0.0000036800000000, 0.0004506900000000 ] - [ 0.0000057500000000, -0.0000030500000000, 0.0001461400000000 ] - [ 0.0040945900000000, -0.0000045300000000, 0.0000240400000000 ] - [ -0.0000063000000000, 0.0000036400000000, -0.0004476700000000 ] - [ 0.0000061900000000, -0.0000035800000000, 0.0004753500000000 ] - [ 0.0000060500000000, -0.0000029800000000, 0.0002494300000000 ] - [ 0.0000234500000000, -0.0000034200000000, -0.0000300200000000 ] - [ 0.0000059300000000, -0.0000028100000000, 0.0001459800000000 ] - [ -0.0709199100000000, -0.0010591600000000, -0.0007258200000000 ] - [ 0.0000059300000000, -0.0000034400000000, -0.0005711500000000 ] - [ 0.0000237500000000, -0.0000036900000000, -0.0002637100000000 ] - [ -0.0000057000000000, 0.0000032800000000, -0.0003178800000000 ] - [ -0.0000064700000000, 0.0000038800000000, 0.0005809000000000 ] - [ 0.0000065300000000, -0.0000031900000000, -0.0001016000000000 ] - [ 0.0001026200000000, -0.0000040700000000, -0.0003240700000000 ] - [ -0.0000056300000000, 0.0000034900000000, 0.0001215900000000 ] - [ 0.0039469500000000, 0.0000252900000000, -0.0000426500000000 ] - [ 0.0002889300000000, -0.0000021500000000, 0.0003144900000000 ] - [ 0.0000064600000000, -0.0000025700000000, 0.0001570700000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009058600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542180200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013628400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013117300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008799200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011774300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014877800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011166300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014328700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012564200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016087400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013579900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013042000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1087013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008586500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107342700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012836500000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013596400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0572595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008901000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014166900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011098100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011861500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011638100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010887600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331523800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010837700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009276400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010494300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010044700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012476400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009876200000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000097100000000, -0.0000085900000000, 0.0002702500000000 ] - [ 0.0000148200000000, -0.0000088200000000, 0.0002259700000000 ] - [ 0.0000140600000000, -0.0000094300000000, -0.0002824100000000 ] - [ 0.0018137300000000, -0.0000116200000000, -0.0001530100000000 ] - [ 0.0000153900000000, -0.0000094000000000, -0.0002401000000000 ] - [ -0.0000149600000000, 0.0000083200000000, -0.0001728900000000 ] - [ -0.0000152300000000, 0.0000078000000000, -0.0001327800000000 ] - [ 0.0000147400000000, -0.0000084800000000, 0.0003288100000000 ] - [ 0.0000151400000000, -0.0000082500000000, -0.0000214600000000 ] - [ 0.0000162000000000, -0.0000094000000000, 0.0002827900000000 ] - [ 0.0000075900000000, -0.0000096600000000, 0.0001417500000000 ] - [ 0.0608721100000000, -0.0010225000000000, 0.0005707300000000 ] - [ -0.0000150200000000, 0.0000089500000000, -0.0003535000000000 ] - [ 0.0000149000000000, -0.0000088500000000, 0.0000150300000000 ] - [ 0.0000262300000000, 0.0000089300000000, -0.0003361500000000 ] - [ 0.0000195400000000, -0.0000084500000000, 0.0000106200000000 ] - [ 0.0000159700000000, -0.0000098200000000, 0.0000340400000000 ] - [ -0.0000153100000000, 0.0000086500000000, 0.0001827700000000 ] - [ 0.0000155500000000, -0.0000096800000000, -0.0003071900000000 ] - [ -0.0000152800000000, 0.0000083600000000, 0.0000299100000000 ] - [ -0.0000155100000000, 0.0000094600000000, 0.0000227200000000 ] - [ 0.0004521900000000, 0.0000107700000000, -0.0000644500000000 ] - [ 0.0000167900000000, -0.0000089700000000, -0.0000643600000000 ] - [ -0.0000149900000000, 0.0000086200000000, -0.0002699000000000 ] - [ -0.0000156200000000, 0.0000086900000000, -0.0000584700000000 ] - [ -0.0008793200000000, 0.0000093000000000, -0.0001004600000000 ] - [ 0.0002783400000000, 0.0000029900000000, 0.0000455900000000 ] - [ -0.0000056400000000, 0.0000033900000000, 0.0003810100000000 ] - [ 0.0039581400000000, -0.0000246900000000, 0.0002456000000000 ] - [ 0.0000118500000000, 0.0000033300000000, 0.0001356900000000 ] - [ 0.0000057700000000, -0.0000030000000000, -0.0002922500000000 ] - [ -0.0000052900000000, 0.0000037100000000, 0.0000895200000000 ] - [ -0.0000034900000000, 0.0000034400000000, 0.0000058100000000 ] - [ -0.0000054300000000, 0.0000033500000000, 0.0004488500000000 ] - [ 0.0000058900000000, -0.0000032200000000, 0.0001581900000000 ] - [ -0.0000054200000000, 0.0000033700000000, 0.0000271000000000 ] - [ -0.0000059000000000, 0.0000036200000000, -0.0004514400000000 ] - [ 0.0000061000000000, -0.0000032000000000, 0.0004751800000000 ] - [ 0.0000058400000000, -0.0000030600000000, 0.0002487900000000 ] - [ 0.0003316600000000, -0.0000029300000000, -0.0000155300000000 ] - [ 0.0000062200000000, -0.0000029100000000, 0.0001372300000000 ] - [ -0.0000058100000000, 0.0000034700000000, -0.0000090700000000 ] - [ -0.0709243500000000, 0.0010594400000000, -0.0012877300000000 ] - [ 0.0000062900000000, -0.0000034200000000, -0.0002597500000000 ] - [ -0.0000057400000000, 0.0000033800000000, -0.0003141400000000 ] - [ -0.0000057300000000, 0.0000036600000000, 0.0005841300000000 ] - [ 0.0000062000000000, -0.0000032900000000, -0.0000967400000000 ] - [ 0.0000057300000000, -0.0000028000000000, -0.0003268400000000 ] - [ -0.0000053200000000, 0.0000033200000000, 0.0001196500000000 ] - [ -0.0000041900000000, 0.0000037300000000, -0.0000693200000000 ] - [ 0.0000337800000000, -0.0000029900000000, 0.0003167600000000 ] - [ 0.0039670800000000, 0.0000053900000000, 0.0001454500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540599600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013791000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013122600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012862500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008077000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008555900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011273700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011362600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009559400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014482200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012070500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015022600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008471300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012476900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011783600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013720700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1090893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008846300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008293800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107112600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014138500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570057500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009036300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009839400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010278700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014454600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013441000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331400200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011702800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008443600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011872100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011466300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010313400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010525300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011923500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103915200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010468700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011467200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009767600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011321900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011448900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1108860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014723100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106298300000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000151700000000, -0.0000085700000000, 0.0002715000000000 ] - [ 0.0000150700000000, -0.0000088000000000, 0.0002257600000000 ] - [ 0.0000064300000000, -0.0000095200000000, -0.0002833800000000 ] - [ -0.0000164800000000, 0.0000086900000000, -0.0002434600000000 ] - [ 0.0000204700000000, -0.0000094300000000, -0.0002418900000000 ] - [ -0.0000149400000000, 0.0000083200000000, -0.0001738200000000 ] - [ -0.0000156100000000, 0.0000077100000000, -0.0001331600000000 ] - [ 0.0000143000000000, -0.0000085600000000, 0.0003303500000000 ] - [ 0.0000150800000000, -0.0000082600000000, -0.0000227100000000 ] - [ 0.0000158600000000, -0.0000094000000000, 0.0002817500000000 ] - [ 0.0000148400000000, -0.0000096000000000, 0.0001412400000000 ] - [ -0.0000151400000000, 0.0000088300000000, -0.0000319900000000 ] - [ -0.0008789000000000, 0.0000094300000000, -0.0003546600000000 ] - [ 0.0000149600000000, -0.0000088900000000, 0.0000146600000000 ] - [ -0.0000162000000000, 0.0000088500000000, -0.0003367600000000 ] - [ 0.0000136600000000, -0.0000084700000000, 0.0000102600000000 ] - [ 0.0000155000000000, -0.0000098400000000, 0.0000352000000000 ] - [ 0.0004515000000000, 0.0000109200000000, 0.0001839900000000 ] - [ 0.0000153400000000, -0.0000096600000000, -0.0003080200000000 ] - [ 0.0000267800000000, 0.0000084400000000, 0.0000311000000000 ] - [ -0.0000153900000000, 0.0000094700000000, 0.0000234300000000 ] - [ -0.0000150100000000, 0.0000084800000000, -0.0000624200000000 ] - [ 0.0000109000000000, -0.0000089900000000, -0.0000635600000000 ] - [ 0.0608200900000000, -0.0010217400000000, 0.0003319500000000 ] - [ 0.0018213600000000, -0.0000116000000000, 0.0000303600000000 ] - [ -0.0000159000000000, 0.0000087100000000, -0.0001018900000000 ] - [ -0.0000061600000000, 0.0000039300000000, 0.0000438800000000 ] - [ -0.0000059000000000, 0.0000035200000000, 0.0003801900000000 ] - [ 0.0000058600000000, -0.0000028300000000, 0.0002186700000000 ] - [ -0.0000057300000000, 0.0000032600000000, 0.0001449200000000 ] - [ 0.0039648100000000, 0.0000052800000000, -0.0002978800000000 ] - [ -0.0000045900000000, 0.0000038000000000, 0.0000890100000000 ] - [ -0.0000052300000000, 0.0000037000000000, 0.0000027100000000 ] - [ -0.0000055400000000, 0.0000032200000000, 0.0004461700000000 ] - [ 0.0000054400000000, -0.0000033100000000, 0.0001640800000000 ] - [ 0.0002782600000000, 0.0000027200000000, 0.0000232800000000 ] - [ -0.0000059000000000, 0.0000037000000000, -0.0004524200000000 ] - [ 0.0000056100000000, -0.0000029800000000, 0.0004737600000000 ] - [ 0.0003306100000000, -0.0000027700000000, 0.0002468600000000 ] - [ 0.0000061000000000, -0.0000032800000000, -0.0000053900000000 ] - [ 0.0000060400000000, -0.0000029500000000, 0.0001340800000000 ] - [ 0.0000110600000000, 0.0000032600000000, -0.0000007800000000 ] - [ 0.0000056400000000, -0.0000031100000000, -0.0005718500000000 ] - [ -0.0708637400000000, 0.0010581100000000, -0.0009611900000000 ] - [ -0.0000056000000000, 0.0000034400000000, -0.0003141600000000 ] - [ -0.0000057700000000, 0.0000035800000000, 0.0005836300000000 ] - [ 0.0000337400000000, -0.0000032900000000, -0.0000958600000000 ] - [ 0.0039548000000000, -0.0000240500000000, -0.0003072900000000 ] - [ -0.0000053900000000, 0.0000033100000000, 0.0001178400000000 ] - [ -0.0000037500000000, 0.0000035700000000, -0.0000717100000000 ] - [ 0.0000057900000000, -0.0000031400000000, 0.0003133500000000 ] - [ 0.0000058400000000, -0.0000032200000000, 0.0001422600000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008723300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013836000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008117300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008536500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014904900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011302000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011224000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011486600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0541584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012396600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102602100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012926000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012585200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011138100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005716900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1086643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012574000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010830500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012876400000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0016515400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009266300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007192000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015943000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568551200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109043600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009587800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014934200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1106112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011944700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010347200000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000151200000000, -0.0000085800000000, 0.0002710600000000 ] - [ 0.0004813500000000, -0.0000111100000000, 0.0002254700000000 ] - [ 0.0000138900000000, -0.0000094400000000, -0.0002830500000000 ] - [ -0.0000161300000000, 0.0000086500000000, -0.0002433900000000 ] - [ -0.0008477200000000, -0.0000099300000000, -0.0002395400000000 ] - [ -0.0000147400000000, 0.0000083300000000, -0.0001712900000000 ] - [ -0.0000150900000000, 0.0000078100000000, -0.0001326000000000 ] - [ 0.0000181200000000, -0.0000085000000000, 0.0003273300000000 ] - [ 0.0608518400000000, 0.0010227200000000, 0.0005819900000000 ] - [ 0.0000583600000000, -0.0000095200000000, 0.0002831300000000 ] - [ 0.0000151000000000, -0.0000095200000000, 0.0001417100000000 ] - [ -0.0000147800000000, 0.0000088500000000, -0.0000304200000000 ] - [ -0.0000155800000000, 0.0000089300000000, -0.0003526700000000 ] - [ 0.0000152900000000, -0.0000088400000000, 0.0000157800000000 ] - [ -0.0000160400000000, 0.0000088200000000, -0.0003367400000000 ] - [ 0.0000144700000000, -0.0000084400000000, 0.0000117700000000 ] - [ 0.0000164100000000, -0.0000098300000000, 0.0000347400000000 ] - [ -0.0000207100000000, 0.0000086400000000, 0.0001819500000000 ] - [ 0.0018539100000000, 0.0000104800000000, -0.0002180100000000 ] - [ -0.0000228700000000, 0.0000084400000000, 0.0000306800000000 ] - [ -0.0000156900000000, 0.0000094600000000, 0.0000222800000000 ] - [ -0.0000147400000000, 0.0000085400000000, -0.0000643200000000 ] - [ 0.0000166900000000, -0.0000089700000000, -0.0000642400000000 ] - [ -0.0000151000000000, 0.0000086000000000, -0.0002697100000000 ] - [ -0.0000160900000000, 0.0000086900000000, -0.0000588700000000 ] - [ -0.0000157300000000, 0.0000087400000000, -0.0001008300000000 ] - [ -0.0000060100000000, 0.0000038800000000, 0.0000438300000000 ] - [ -0.0000029000000000, 0.0000034800000000, 0.0003746800000000 ] - [ 0.0000060700000000, -0.0000028200000000, 0.0002190600000000 ] - [ -0.0000055600000000, 0.0000033100000000, 0.0001449300000000 ] - [ 0.0000072300000000, -0.0000030000000000, -0.0002940500000000 ] - [ 0.0039430100000000, 0.0000252400000000, 0.0001136300000000 ] - [ -0.0000050400000000, 0.0000036700000000, 0.0000030300000000 ] - [ 0.0000218200000000, 0.0000032700000000, 0.0004485600000000 ] - [ 0.0000055800000000, -0.0000032700000000, 0.0001626200000000 ] - [ -0.0000055400000000, 0.0000034800000000, 0.0000229200000000 ] - [ 0.0003199200000000, 0.0000033500000000, -0.0004534400000000 ] - [ 0.0000058100000000, -0.0000030000000000, 0.0004734600000000 ] - [ 0.0000230400000000, -0.0000031100000000, 0.0002430000000000 ] - [ 0.0000061000000000, -0.0000032700000000, -0.0000084500000000 ] - [ 0.0000060700000000, -0.0000029200000000, 0.0001368200000000 ] - [ -0.0000059700000000, 0.0000033600000000, -0.0000029900000000 ] - [ 0.0000055500000000, -0.0000031100000000, -0.0005688800000000 ] - [ 0.0000063100000000, -0.0000033400000000, -0.0002553100000000 ] - [ -0.0708836000000000, -0.0010591100000000, -0.0010264800000000 ] - [ -0.0000054700000000, 0.0000036500000000, 0.0005823500000000 ] - [ 0.0002897800000000, -0.0000025700000000, -0.0000971400000000 ] - [ 0.0000055200000000, -0.0000026500000000, -0.0003239500000000 ] - [ 0.0039521400000000, -0.0000049400000000, 0.0001150500000000 ] - [ -0.0000050700000000, 0.0000036300000000, -0.0000700600000000 ] - [ 0.0000058200000000, -0.0000031000000000, 0.0003116300000000 ] - [ 0.0000058800000000, -0.0000031200000000, 0.0001429600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013119000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008135900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008799200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014910900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0539355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011990500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012019400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012421200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011989500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012993900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011060200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1087438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008325800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106714300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012990100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009674200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010220000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331431800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011551300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570123000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010374800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006918700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009735400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011445400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013943300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1110741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008444700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009958100000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000152600000000, -0.0000085400000000, 0.0002714400000000 ] - [ 0.0000086500000000, -0.0000088200000000, 0.0002258800000000 ] - [ 0.0000139000000000, -0.0000094400000000, -0.0002833400000000 ] - [ -0.0000161900000000, 0.0000087100000000, -0.0002436200000000 ] - [ 0.0000152100000000, -0.0000094300000000, -0.0002415400000000 ] - [ 0.0026120800000000, 0.0000220500000000, -0.0000820100000000 ] - [ 0.0000211300000000, 0.0000078900000000, -0.0001332700000000 ] - [ -0.0008555700000000, -0.0000085000000000, 0.0003301400000000 ] - [ 0.0000151500000000, -0.0000082100000000, -0.0000220400000000 ] - [ -0.0000455800000000, -0.0000096500000000, 0.0002821300000000 ] - [ 0.0000149200000000, -0.0000096100000000, 0.0001409700000000 ] - [ -0.0000149400000000, 0.0000088600000000, -0.0000320800000000 ] - [ -0.0000155800000000, 0.0000089100000000, -0.0003547300000000 ] - [ 0.0000199100000000, -0.0000088900000000, 0.0000142400000000 ] - [ -0.0000162600000000, 0.0000088600000000, -0.0003365000000000 ] - [ 0.0000140200000000, -0.0000084500000000, 0.0000101600000000 ] - [ 0.0599792500000000, 0.0010265800000000, 0.0006377700000000 ] - [ -0.0000152500000000, 0.0000086700000000, 0.0001839000000000 ] - [ 0.0000148000000000, -0.0000096300000000, -0.0003078000000000 ] - [ -0.0000156100000000, 0.0000083500000000, 0.0000300600000000 ] - [ 0.0003068000000000, 0.0000126100000000, 0.0000233600000000 ] - [ -0.0000150300000000, 0.0000084700000000, -0.0000624900000000 ] - [ 0.0000165200000000, -0.0000089400000000, -0.0000637300000000 ] - [ -0.0000150600000000, 0.0000086200000000, -0.0002701500000000 ] - [ -0.0000158100000000, 0.0000087200000000, -0.0000588300000000 ] - [ -0.0000152600000000, 0.0000087800000000, -0.0001017700000000 ] - [ -0.0000059400000000, 0.0000039200000000, 0.0000446600000000 ] - [ 0.0040928300000000, 0.0000224900000000, 0.0003986300000000 ] - [ 0.0000059500000000, -0.0000029300000000, 0.0002206200000000 ] - [ -0.0000056200000000, 0.0000033000000000, 0.0001419000000000 ] - [ 0.0000055100000000, -0.0000029900000000, -0.0002937100000000 ] - [ -0.0000053200000000, 0.0000038000000000, 0.0000912300000000 ] - [ -0.0000041300000000, 0.0000036800000000, 0.0000041600000000 ] - [ 0.0003272200000000, 0.0000040300000000, 0.0004465700000000 ] - [ 0.0002889500000000, -0.0000021700000000, 0.0001599100000000 ] - [ -0.0000055700000000, 0.0000034500000000, 0.0000248400000000 ] - [ 0.0000220900000000, 0.0000037100000000, -0.0004514000000000 ] - [ 0.0000285900000000, -0.0000029100000000, 0.0004745500000000 ] - [ 0.0000054900000000, -0.0000031000000000, 0.0002452800000000 ] - [ 0.0000060200000000, -0.0000032200000000, -0.0000105300000000 ] - [ 0.0027127000000000, 0.0000144300000000, 0.0001439600000000 ] - [ -0.0000063600000000, 0.0000033700000000, -0.0000043800000000 ] - [ 0.0000056900000000, -0.0000031100000000, -0.0005699200000000 ] - [ 0.0000060600000000, -0.0000033400000000, -0.0002575500000000 ] - [ -0.0000054000000000, 0.0000034300000000, -0.0003138400000000 ] - [ -0.0694951300000000, -0.0010886200000000, -0.0001371000000000 ] - [ 0.0000059600000000, -0.0000033100000000, -0.0000953400000000 ] - [ 0.0000055400000000, -0.0000026800000000, -0.0003252300000000 ] - [ -0.0000027400000000, 0.0000033200000000, 0.0001179700000000 ] - [ -0.0000052000000000, 0.0000036300000000, -0.0000694100000000 ] - [ 0.0000056400000000, -0.0000030900000000, 0.0003140400000000 ] - [ 0.0000057100000000, -0.0000030900000000, 0.0001439300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008905800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009376600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013997300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0536848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013284100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004707000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010325900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011903500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012208400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012156500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012586300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012898400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011966200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016524400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013796600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1076615100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008489900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011076600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013084500000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014350300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0564647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011692500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013410700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010549200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016091000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009138100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011661300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017164700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1117979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010389600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008612900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010109800000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000151600000000, -0.0000086200000000, 0.0002712800000000 ] - [ 0.0000180300000000, -0.0000088600000000, 0.0002252600000000 ] - [ 0.0000139900000000, -0.0000094300000000, -0.0002846500000000 ] - [ -0.0000159800000000, 0.0000086700000000, -0.0002467200000000 ] - [ 0.0026481000000000, -0.0000231900000000, -0.0001448700000000 ] - [ -0.0000148600000000, 0.0000082900000000, -0.0001684700000000 ] - [ -0.0000155600000000, 0.0000077800000000, -0.0001330800000000 ] - [ 0.0000143100000000, -0.0000084900000000, 0.0003246000000000 ] - [ 0.0003371400000000, -0.0000113600000000, -0.0000210900000000 ] - [ 0.0000165100000000, -0.0000094000000000, 0.0002838800000000 ] - [ 0.0000150200000000, -0.0000095800000000, 0.0001437300000000 ] - [ -0.0000152500000000, 0.0000088600000000, -0.0000292300000000 ] - [ -0.0000161900000000, 0.0000089700000000, -0.0003499300000000 ] - [ 0.0000152100000000, -0.0000088600000000, 0.0000165600000000 ] - [ -0.0000164100000000, 0.0000088100000000, -0.0003389200000000 ] - [ 0.0000140300000000, -0.0000085300000000, 0.0000130900000000 ] - [ 0.0000164200000000, -0.0000098600000000, 0.0000347100000000 ] - [ -0.0008849000000000, 0.0000086000000000, 0.0001800800000000 ] - [ 0.0000521100000000, -0.0000098500000000, -0.0003098200000000 ] - [ 0.0599428000000000, -0.0010273500000000, 0.0006315500000000 ] - [ -0.0000159000000000, 0.0000094800000000, 0.0000208600000000 ] - [ -0.0000147900000000, 0.0000084800000000, -0.0000641100000000 ] - [ 0.0000167100000000, -0.0000089900000000, -0.0000651000000000 ] - [ -0.0000209900000000, 0.0000086000000000, -0.0002694400000000 ] - [ -0.0000773000000000, 0.0000088500000000, -0.0000618400000000 ] - [ -0.0000158100000000, 0.0000088500000000, -0.0000991800000000 ] - [ -0.0000057900000000, 0.0000037100000000, 0.0000474400000000 ] - [ -0.0000053800000000, 0.0000033900000000, 0.0003603800000000 ] - [ 0.0000059400000000, -0.0000031900000000, 0.0002328200000000 ] - [ -0.0000057300000000, 0.0000034800000000, 0.0001230800000000 ] - [ 0.0003384400000000, -0.0000037300000000, -0.0002927400000000 ] - [ 0.0026986700000000, -0.0000136000000000, 0.0001022600000000 ] - [ -0.0000050200000000, 0.0000033900000000, 0.0000158100000000 ] - [ -0.0000052900000000, 0.0000035900000000, 0.0004593300000000 ] - [ 0.0000057200000000, -0.0000033100000000, 0.0001432400000000 ] - [ -0.0000053600000000, 0.0000034100000000, 0.0000275300000000 ] - [ -0.0000035700000000, 0.0000037400000000, -0.0004534800000000 ] - [ 0.0000059800000000, -0.0000032500000000, 0.0004751800000000 ] - [ 0.0041026300000000, -0.0000221100000000, 0.0002547600000000 ] - [ 0.0000062200000000, -0.0000034100000000, -0.0000273400000000 ] - [ 0.0000060200000000, -0.0000030200000000, 0.0001513700000000 ] - [ -0.0000060100000000, 0.0000035600000000, -0.0000181900000000 ] - [ 0.0000058200000000, -0.0000032700000000, -0.0005595900000000 ] - [ 0.0000343300000000, -0.0000035600000000, -0.0002484500000000 ] - [ 0.0002782000000000, 0.0000022100000000, -0.0003013600000000 ] - [ -0.0000061700000000, 0.0000038100000000, 0.0005707300000000 ] - [ -0.0694825300000000, 0.0010882200000000, -0.0008317400000000 ] - [ 0.0000083600000000, -0.0000029700000000, -0.0003137900000000 ] - [ 0.0000168700000000, 0.0000033600000000, 0.0001218800000000 ] - [ -0.0000052100000000, 0.0000036900000000, -0.0000592000000000 ] - [ 0.0000057500000000, -0.0000030400000000, 0.0003067100000000 ] - [ 0.0000054900000000, -0.0000029500000000, 0.0001542200000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008980200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014543100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013947800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0535560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013162000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011582400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010310700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015036900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015056700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011300000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011509300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012268900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012510600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012096300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014700700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009086100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109531500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012193100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016677600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010835100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1083665500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012358800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013345800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008912900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009105600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0564676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011285000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008049600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008367200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011677600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330041100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008936800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011278300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009463200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109729800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011502800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014131100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1110623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008634500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010141600000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000152500000000, -0.0000085500000000, 0.0002697800000000 ] - [ 0.0000146700000000, -0.0000088100000000, 0.0002262300000000 ] - [ 0.0001872600000000, -0.0000067900000000, -0.0002869800000000 ] - [ -0.0000162600000000, 0.0000086500000000, -0.0002430100000000 ] - [ 0.0000160700000000, -0.0000093800000000, -0.0002392800000000 ] - [ -0.0000146600000000, 0.0000083500000000, -0.0001718800000000 ] - [ -0.0000156700000000, 0.0000078100000000, -0.0001333900000000 ] - [ 0.0000142100000000, -0.0000084700000000, 0.0003276600000000 ] - [ 0.0000148400000000, -0.0000082400000000, -0.0000207900000000 ] - [ 0.0000156700000000, -0.0000094200000000, 0.0002831800000000 ] - [ 0.0000149100000000, -0.0000095400000000, 0.0001415400000000 ] - [ -0.0000150700000000, 0.0000088600000000, -0.0000313400000000 ] - [ 0.0603481000000000, -0.0010118300000000, 0.0002511400000000 ] - [ 0.0000145400000000, -0.0000088600000000, 0.0000156100000000 ] - [ -0.0000164000000000, 0.0000088400000000, -0.0003369900000000 ] - [ 0.0000124300000000, -0.0000084300000000, 0.0000111800000000 ] - [ 0.0000159100000000, -0.0000098400000000, 0.0000328200000000 ] - [ 0.0000267500000000, 0.0000087600000000, 0.0001809900000000 ] - [ 0.0000153300000000, -0.0000096600000000, -0.0003072200000000 ] - [ -0.0000117100000000, 0.0000083800000000, 0.0000288000000000 ] - [ -0.0000156000000000, 0.0000094500000000, 0.0000221200000000 ] - [ -0.0000147900000000, 0.0000085300000000, -0.0000643500000000 ] - [ -0.0000217900000000, -0.0000086700000000, -0.0000646800000000 ] - [ 0.0017664200000000, -0.0000117000000000, -0.0001791000000000 ] - [ 0.0004508900000000, 0.0000108900000000, -0.0000590500000000 ] - [ -0.0000158900000000, 0.0000087900000000, -0.0001004000000000 ] - [ -0.0000058000000000, 0.0000037200000000, 0.0000457000000000 ] - [ -0.0000057300000000, 0.0000033300000000, 0.0003781100000000 ] - [ 0.0000059200000000, -0.0000033900000000, 0.0002278200000000 ] - [ -0.0000056500000000, 0.0000033800000000, 0.0001315000000000 ] - [ 0.0003296300000000, -0.0000025900000000, -0.0002932500000000 ] - [ -0.0000052600000000, 0.0000036700000000, 0.0000932800000000 ] - [ -0.0000051600000000, 0.0000033300000000, 0.0000087900000000 ] - [ -0.0000055000000000, 0.0000034700000000, 0.0004498900000000 ] - [ 0.0000058100000000, -0.0000031700000000, 0.0001546200000000 ] - [ 0.0026999900000000, -0.0000194100000000, 0.0000421200000000 ] - [ -0.0000062400000000, 0.0000036500000000, -0.0004502800000000 ] - [ 0.0000059200000000, -0.0000032700000000, 0.0004748200000000 ] - [ 0.0000327800000000, -0.0000030200000000, 0.0002445900000000 ] - [ 0.0000061000000000, -0.0000033600000000, -0.0000188800000000 ] - [ 0.0000060300000000, -0.0000028700000000, 0.0001415200000000 ] - [ 0.0000910700000000, 0.0000021700000000, -0.0000116300000000 ] - [ 0.0000058100000000, -0.0000032800000000, -0.0005704800000000 ] - [ 0.0039552400000000, 0.0000045500000000, -0.0002630700000000 ] - [ -0.0000057700000000, 0.0000033400000000, -0.0003142600000000 ] - [ -0.0000060000000000, 0.0000037300000000, 0.0005817300000000 ] - [ 0.0000090900000000, -0.0000032400000000, -0.0000997500000000 ] - [ -0.0698978200000000, 0.0010490100000000, -0.0010221100000000 ] - [ -0.0000055300000000, 0.0000034000000000, 0.0001200200000000 ] - [ 0.0000037000000000, 0.0000036100000000, -0.0000669400000000 ] - [ 0.0000065700000000, -0.0000030300000000, 0.0003136400000000 ] - [ 0.0000054000000000, -0.0000028400000000, 0.0001499200000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009299000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008252500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011781500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010291700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011359900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009941500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540418300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011814100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012087500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015962800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1096272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012702100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010960200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012973000000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014338800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009767100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010424700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011402700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012157400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012030100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011564500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016043200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006836600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110624200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1119621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010123300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000153900000000, -0.0000085700000000, 0.0002712700000000 ] - [ 0.0018567300000000, 0.0000113500000000, 0.0003154600000000 ] - [ 0.0000141800000000, -0.0000094100000000, -0.0002827500000000 ] - [ -0.0000160200000000, 0.0000087200000000, -0.0002433000000000 ] - [ -0.0000434900000000, -0.0000097500000000, -0.0002413600000000 ] - [ -0.0000140200000000, 0.0000083300000000, -0.0001732100000000 ] - [ -0.0000154700000000, 0.0000077300000000, -0.0001326600000000 ] - [ 0.0000568200000000, -0.0000086400000000, 0.0003299000000000 ] - [ -0.0008507200000000, -0.0000088300000000, -0.0000225900000000 ] - [ 0.0004824600000000, -0.0000116700000000, 0.0002814100000000 ] - [ 0.0000149500000000, -0.0000096100000000, 0.0001417700000000 ] - [ -0.0000144200000000, 0.0000088800000000, -0.0000320800000000 ] - [ -0.0000156600000000, 0.0000088900000000, -0.0003542400000000 ] - [ 0.0000153600000000, -0.0000088800000000, 0.0000150800000000 ] - [ -0.0000166900000000, 0.0000088400000000, -0.0003361900000000 ] - [ 0.0000143700000000, -0.0000084600000000, 0.0000104900000000 ] - [ 0.0000198000000000, -0.0000098200000000, 0.0000354700000000 ] - [ -0.0000156100000000, 0.0000086600000000, 0.0001844000000000 ] - [ 0.0607797100000000, 0.0010200700000000, 0.0002953200000000 ] - [ -0.0000146400000000, 0.0000083700000000, 0.0000314500000000 ] - [ -0.0000155200000000, 0.0000094700000000, 0.0000234200000000 ] - [ -0.0000148700000000, 0.0000085200000000, -0.0000624700000000 ] - [ 0.0000170300000000, -0.0000089400000000, -0.0000635800000000 ] - [ -0.0000150500000000, 0.0000086100000000, -0.0002703400000000 ] - [ -0.0000154100000000, 0.0000087400000000, -0.0000590600000000 ] - [ -0.0000155200000000, 0.0000087300000000, -0.0001017400000000 ] - [ -0.0000058800000000, 0.0000038900000000, 0.0000436400000000 ] - [ 0.0000215900000000, 0.0000034500000000, 0.0003776200000000 ] - [ 0.0000062100000000, -0.0000028300000000, 0.0002196300000000 ] - [ -0.0000055100000000, 0.0000032900000000, 0.0001436400000000 ] - [ 0.0000058400000000, -0.0000030300000000, -0.0002940200000000 ] - [ 0.0003184900000000, 0.0000048400000000, 0.0000901900000000 ] - [ -0.0000049800000000, 0.0000036900000000, 0.0000036200000000 ] - [ 0.0003204200000000, 0.0000028800000000, 0.0004460700000000 ] - [ 0.0000055900000000, -0.0000033000000000, 0.0001626400000000 ] - [ -0.0000053600000000, 0.0000034700000000, 0.0000234100000000 ] - [ 0.0039508400000000, -0.0000046000000000, -0.0004559300000000 ] - [ 0.0000059000000000, -0.0000029800000000, 0.0004739300000000 ] - [ 0.0000071200000000, -0.0000031600000000, 0.0002461800000000 ] - [ 0.0000061500000000, -0.0000032900000000, -0.0000083800000000 ] - [ 0.0000064600000000, -0.0000029300000000, 0.0001356100000000 ] - [ -0.0000059200000000, 0.0000033400000000, -0.0000029900000000 ] - [ 0.0000059300000000, -0.0000030900000000, -0.0005704000000000 ] - [ 0.0000063900000000, -0.0000033500000000, -0.0002556600000000 ] - [ 0.0039523900000000, 0.0000250200000000, -0.0002925600000000 ] - [ -0.0000027900000000, 0.0000036200000000, 0.0005830100000000 ] - [ 0.0000284800000000, -0.0000032700000000, -0.0000965000000000 ] - [ 0.0000057700000000, -0.0000026200000000, -0.0003262000000000 ] - [ -0.0708238000000000, -0.0010577100000000, -0.0005927300000000 ] - [ -0.0000050300000000, 0.0000036200000000, -0.0000702700000000 ] - [ 0.0000059100000000, -0.0000031100000000, 0.0003131000000000 ] - [ 0.0000061000000000, -0.0000031600000000, 0.0001434800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0544424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014397800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014960400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014951800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011299300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323877800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014127100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011991800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012693800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008359900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101042700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008938600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010508400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1083097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012969000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014158000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0564441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008948700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011092400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011516200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013266100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334722000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011685100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010789500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010794800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010802800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011103700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007683900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011186900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011303600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108961400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014707800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1114993900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009974400000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000151600000000, -0.0000085700000000, 0.0002702900000000 ] - [ 0.0000146800000000, -0.0000088500000000, 0.0002260300000000 ] - [ 0.0004822000000000, -0.0000116600000000, -0.0002837200000000 ] - [ -0.0000177500000000, 0.0000086200000000, -0.0002431200000000 ] - [ 0.0000157800000000, -0.0000093900000000, -0.0002394000000000 ] - [ -0.0000147000000000, 0.0000083300000000, -0.0001708500000000 ] - [ -0.0000154700000000, 0.0000078100000000, -0.0001323600000000 ] - [ 0.0000143500000000, -0.0000084900000000, 0.0003267600000000 ] - [ 0.0000151700000000, -0.0000082600000000, -0.0000221100000000 ] - [ 0.0000160200000000, -0.0000094400000000, 0.0002828900000000 ] - [ 0.0000149200000000, -0.0000095200000000, 0.0001421900000000 ] - [ -0.0000147800000000, 0.0000088700000000, -0.0000303300000000 ] - [ 0.0000417300000000, 0.0000088200000000, -0.0003523600000000 ] - [ 0.0000152900000000, -0.0000088400000000, 0.0000158900000000 ] - [ 0.0001574800000000, 0.0000060800000000, -0.0003407800000000 ] - [ 0.0604136700000000, 0.0010133800000000, 0.0006171100000000 ] - [ 0.0000159600000000, -0.0000098500000000, 0.0000346700000000 ] - [ -0.0000151700000000, 0.0000086700000000, 0.0001811200000000 ] - [ 0.0000155400000000, -0.0000096900000000, -0.0003072500000000 ] - [ -0.0000156400000000, 0.0000083600000000, 0.0000311200000000 ] - [ -0.0000154700000000, 0.0000094500000000, 0.0000214000000000 ] - [ -0.0000531300000000, 0.0000082300000000, -0.0000649400000000 ] - [ 0.0017901500000000, 0.0000111800000000, 0.0000252000000000 ] - [ -0.0000138900000000, 0.0000086000000000, -0.0002704200000000 ] - [ -0.0000161600000000, 0.0000086500000000, -0.0000589800000000 ] - [ -0.0000156900000000, 0.0000087500000000, -0.0001009400000000 ] - [ -0.0000060600000000, 0.0000039500000000, 0.0000433000000000 ] - [ -0.0000058900000000, 0.0000035300000000, 0.0003744200000000 ] - [ 0.0000062800000000, -0.0000027700000000, 0.0002194000000000 ] - [ -0.0000056700000000, 0.0000033100000000, 0.0001430700000000 ] - [ 0.0000057600000000, -0.0000030100000000, -0.0002933800000000 ] - [ -0.0000053100000000, 0.0000038100000000, 0.0000939800000000 ] - [ -0.0000050700000000, 0.0000037400000000, 0.0000033500000000 ] - [ -0.0000053500000000, 0.0000033200000000, 0.0004464900000000 ] - [ 0.0000055900000000, -0.0000033100000000, 0.0001605400000000 ] - [ 0.0003257600000000, 0.0000030500000000, 0.0000218100000000 ] - [ -0.0000058000000000, 0.0000037500000000, -0.0004503000000000 ] - [ 0.0000057200000000, -0.0000029700000000, 0.0004733000000000 ] - [ 0.0000056700000000, -0.0000031600000000, 0.0002418000000000 ] - [ 0.0001031800000000, -0.0000018700000000, -0.0000103100000000 ] - [ 0.0000062200000000, -0.0000029400000000, 0.0001373100000000 ] - [ 0.0039460300000000, -0.0000047000000000, -0.0000078100000000 ] - [ 0.0000067900000000, -0.0000030700000000, -0.0005681400000000 ] - [ 0.0000077200000000, -0.0000033500000000, -0.0002570400000000 ] - [ -0.0000054800000000, 0.0000034600000000, -0.0003136300000000 ] - [ -0.0000056300000000, 0.0000036300000000, 0.0005842200000000 ] - [ 0.0000059500000000, -0.0000033200000000, -0.0000968500000000 ] - [ 0.0000146300000000, -0.0000026500000000, -0.0003233700000000 ] - [ -0.0000054400000000, 0.0000033800000000, 0.0001176500000000 ] - [ -0.0699481200000000, -0.0010496300000000, -0.0007691500000000 ] - [ 0.0027132400000000, 0.0000196400000000, 0.0003290300000000 ] - [ 0.0000150200000000, -0.0000030400000000, 0.0001431700000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008223200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015293900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003065300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012544600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012540100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015080700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011720300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011799800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013103100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017485900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012686500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1094720000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013009600000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009075600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009763400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014315700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013105800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011656200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012023900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011290500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007822400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010065300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012145600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1123205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105698600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010031000000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000153200000000, -0.0000085700000000, 0.0002699200000000 ] - [ 0.0000147100000000, -0.0000088200000000, 0.0002257400000000 ] - [ 0.0000507500000000, -0.0000095800000000, -0.0002832100000000 ] - [ -0.0000776600000000, 0.0000088600000000, -0.0002432300000000 ] - [ 0.0000154900000000, -0.0000094000000000, -0.0002402900000000 ] - [ -0.0000146600000000, 0.0000083300000000, -0.0001728900000000 ] - [ -0.0000155700000000, 0.0000077600000000, -0.0001333500000000 ] - [ 0.0000144000000000, -0.0000085400000000, 0.0003283400000000 ] - [ 0.0000150100000000, -0.0000082500000000, -0.0000217300000000 ] - [ 0.0000160800000000, -0.0000094200000000, 0.0002825300000000 ] - [ 0.0000150200000000, -0.0000095400000000, 0.0001413400000000 ] - [ -0.0000207000000000, 0.0000088900000000, -0.0000318800000000 ] - [ -0.0000107400000000, 0.0000089100000000, -0.0003536400000000 ] - [ 0.0000150800000000, -0.0000088400000000, 0.0000148500000000 ] - [ 0.0599527200000000, -0.0010270200000000, 0.0002652400000000 ] - [ 0.0026408200000000, -0.0000222300000000, 0.0001024900000000 ] - [ 0.0000159900000000, -0.0000098200000000, 0.0000334200000000 ] - [ -0.0000146200000000, 0.0000087000000000, 0.0001820700000000 ] - [ 0.0000156500000000, -0.0000096700000000, -0.0003075200000000 ] - [ -0.0000153900000000, 0.0000083600000000, 0.0000295900000000 ] - [ -0.0000154600000000, 0.0000094600000000, 0.0000222700000000 ] - [ -0.0008847300000000, 0.0000084700000000, -0.0000639200000000 ] - [ 0.0003391200000000, -0.0000121100000000, -0.0000647000000000 ] - [ -0.0000148700000000, 0.0000086300000000, -0.0002702400000000 ] - [ -0.0000157100000000, 0.0000086900000000, -0.0000588500000000 ] - [ -0.0000162700000000, 0.0000087500000000, -0.0001007800000000 ] - [ -0.0000055400000000, 0.0000037800000000, 0.0000456300000000 ] - [ -0.0000055500000000, 0.0000034100000000, 0.0003813400000000 ] - [ 0.0000087300000000, -0.0000032200000000, 0.0002252200000000 ] - [ -0.0000055300000000, 0.0000033500000000, 0.0001354500000000 ] - [ 0.0000057200000000, -0.0000030000000000, -0.0002925100000000 ] - [ -0.0000053700000000, 0.0000037300000000, 0.0000910000000000 ] - [ -0.0000050300000000, 0.0000034600000000, 0.0000058900000000 ] - [ -0.0000055400000000, 0.0000033800000000, 0.0004488800000000 ] - [ 0.0000056700000000, -0.0000032400000000, 0.0001589500000000 ] - [ 0.0000175200000000, 0.0000032300000000, 0.0000250300000000 ] - [ -0.0000057900000000, 0.0000036400000000, -0.0004513500000000 ] - [ 0.0000059600000000, -0.0000031700000000, 0.0004743700000000 ] - [ 0.0000057200000000, -0.0000030900000000, 0.0002473300000000 ] - [ 0.0041060800000000, -0.0000223600000000, 0.0000085700000000 ] - [ 0.0000060900000000, -0.0000029100000000, 0.0001379300000000 ] - [ 0.0002776700000000, 0.0000023800000000, -0.0000082200000000 ] - [ 0.0000337900000000, -0.0000033000000000, -0.0005730700000000 ] - [ 0.0000062400000000, -0.0000034300000000, -0.0002597000000000 ] - [ -0.0000055600000000, 0.0000033800000000, -0.0003145900000000 ] - [ -0.0000058100000000, 0.0000036900000000, 0.0005818800000000 ] - [ 0.0000062300000000, -0.0000033000000000, -0.0000978800000000 ] - [ 0.0000066800000000, -0.0000028100000000, -0.0003252700000000 ] - [ -0.0000053900000000, 0.0000033500000000, 0.0001195800000000 ] - [ 0.0027019300000000, -0.0000136500000000, -0.0000622800000000 ] - [ -0.0694971200000000, 0.0010884500000000, -0.0004017600000000 ] - [ 0.0003384100000000, -0.0000037700000000, 0.0001480300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014571100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013976500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0322440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011403900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014324600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012634700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011705200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013083500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007025100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013863100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012216400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009014300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008488100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1079557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013645200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0014331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013797500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009094100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010388500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011352300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014398900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0562723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012054500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012052500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001832300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010784700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008885300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010579900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009431800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010663000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014599600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0111386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1115585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010685200000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000148500000000, -0.0000085500000000, 0.0002732300000000 ] - [ 0.0000146400000000, -0.0000088200000000, 0.0002255300000000 ] - [ 0.0000136600000000, -0.0000094700000000, -0.0002830000000000 ] - [ 0.0607904400000000, -0.0010211800000000, 0.0003574100000000 ] - [ 0.0000155700000000, -0.0000094300000000, -0.0002412900000000 ] - [ -0.0000148000000000, 0.0000083100000000, -0.0001734200000000 ] - [ -0.0000153700000000, 0.0000077200000000, -0.0001329600000000 ] - [ 0.0000145900000000, -0.0000085300000000, 0.0003301600000000 ] - [ 0.0000154500000000, -0.0000082300000000, -0.0000222900000000 ] - [ 0.0000155800000000, -0.0000094000000000, 0.0002820600000000 ] - [ 0.0000157400000000, -0.0000096200000000, 0.0001417600000000 ] - [ -0.0008810400000000, 0.0000094200000000, -0.0000320300000000 ] - [ -0.0000154100000000, 0.0000088800000000, -0.0003546600000000 ] - [ 0.0000155100000000, -0.0000088600000000, 0.0000145700000000 ] - [ 0.0004516500000000, 0.0000111100000000, -0.0003376600000000 ] - [ 0.0000718000000000, -0.0000083500000000, 0.0000102000000000 ] - [ 0.0000159400000000, -0.0000098200000000, 0.0000345500000000 ] - [ -0.0000149900000000, 0.0000086500000000, 0.0001845200000000 ] - [ 0.0000156100000000, -0.0000096200000000, -0.0003079100000000 ] - [ -0.0000154200000000, 0.0000083400000000, 0.0000305000000000 ] - [ -0.0000155500000000, 0.0000094300000000, 0.0000244000000000 ] - [ 0.0018171100000000, -0.0000117500000000, 0.0000282800000000 ] - [ 0.0000179200000000, -0.0000089500000000, -0.0000627700000000 ] - [ -0.0000143600000000, 0.0000086000000000, -0.0002705500000000 ] - [ -0.0000155700000000, 0.0000086700000000, -0.0000592700000000 ] - [ -0.0000746000000000, 0.0000089300000000, -0.0001016500000000 ] - [ 0.0000166300000000, 0.0000037900000000, 0.0000450000000000 ] - [ -0.0000055900000000, 0.0000034300000000, 0.0003866300000000 ] - [ 0.0003303100000000, -0.0000039200000000, 0.0002186200000000 ] - [ -0.0000042100000000, 0.0000033300000000, 0.0001443000000000 ] - [ 0.0000057700000000, -0.0000029900000000, -0.0002920700000000 ] - [ -0.0000052200000000, 0.0000037600000000, 0.0000869100000000 ] - [ -0.0000049400000000, 0.0000036600000000, 0.0000017200000000 ] - [ -0.0000053800000000, 0.0000033100000000, 0.0004481000000000 ] - [ 0.0000057500000000, -0.0000032700000000, 0.0001640200000000 ] - [ -0.0000052800000000, 0.0000034600000000, 0.0000241100000000 ] - [ -0.0000057800000000, 0.0000036500000000, -0.0004516900000000 ] - [ 0.0000059700000000, -0.0000030200000000, 0.0004723900000000 ] - [ 0.0000058600000000, -0.0000031600000000, 0.0002541700000000 ] - [ 0.0039665400000000, 0.0000049900000000, -0.0000045300000000 ] - [ 0.0000063100000000, -0.0000029700000000, 0.0001336100000000 ] - [ -0.0000044600000000, 0.0000033600000000, -0.0000017200000000 ] - [ 0.0039677600000000, -0.0000247300000000, -0.0005564500000000 ] - [ 0.0000063000000000, -0.0000034200000000, -0.0002622200000000 ] - [ -0.0000053800000000, 0.0000033900000000, -0.0003170800000000 ] - [ -0.0000055900000000, 0.0000036500000000, 0.0005821700000000 ] - [ 0.0000061900000000, -0.0000033600000000, -0.0000966100000000 ] - [ 0.0000058600000000, -0.0000026700000000, -0.0003297700000000 ] - [ -0.0000051400000000, 0.0000033100000000, 0.0001195900000000 ] - [ 0.0000040700000000, 0.0000036700000000, -0.0000726500000000 ] - [ 0.0003388700000000, -0.0000026900000000, 0.0003116800000000 ] - [ -0.0708541800000000, 0.0010579600000000, -0.0005659200000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009153400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011630100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008564100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014939700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014655200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009588400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011255600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011220300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014412300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012491000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011595800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011800800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013706000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105490300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101896900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008305300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017322200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012587200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1083605300000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009875000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010275200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014548000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008034800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011731600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568307100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010432300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010792000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011212700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007627000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009891900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010046700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006847100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011232900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011533900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0111723000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013883600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005696800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1115902900000000 ]