# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/974d1555-08de-4a09-929d-b79e1578b829/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 Ho2Se3 / Fddd (70) / materials id 9824](https://mdr.nims.go.jp/datasets/0d9947f1-f6ac-45de-a210-0cc70dfefa8e) ## 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: "Fddd" number: 70 Hall_symbol: "F 2 2 -1d"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 5.647172860000000, 12.003322884999999 ] # a - [ 4.049755605000000, 0.000000000000000, 12.003322884999999 ] # b - [ 4.049755605000000, 5.647172860000000, 0.000000000000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.662787980000000, 0.174154100000000, 0.839776820000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.323281100000000, 0.839776820000000, 0.174154100000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.839776820000000, 0.323281100000000, 0.662787980000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.174154100000000, 0.662787980000000, 0.323281100000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.587212020000000, 0.075845900000000, 0.410223180000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.926718900000000, 0.410223180000000, 0.075845900000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.410223180000000, 0.926718900000000, 0.587212020000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.075845900000000, 0.587212020000000, 0.926718900000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.755951650000000, 0.244048350000000, 0.244048350000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.244048350000000, 0.755951650000000, 0.755951650000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.494048350000000, 0.005951650000000, 0.005951650000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.005951650000000, 0.494048350000000, 0.494048350000000 ] mass: 78.960000 - symbol: Ho # 13 coordinates: [ 0.502706200000000, 0.502706200000000, 0.997293800000000 ] mass: 164.930320 - symbol: Ho # 14 coordinates: [ 0.997293800000000, 0.997293800000000, 0.502706200000000 ] mass: 164.930320 - symbol: Ho # 15 coordinates: [ 0.747293800000000, 0.747293800000000, 0.252706200000000 ] mass: 164.930320 - symbol: Ho # 16 coordinates: [ 0.252706200000000, 0.252706200000000, 0.747293800000000 ] mass: 164.930320 - symbol: Ho # 17 coordinates: [ 0.166003540000000, 0.166003540000000, 0.333996460000000 ] mass: 164.930320 - symbol: Ho # 18 coordinates: [ 0.333996460000000, 0.333996460000000, 0.166003540000000 ] mass: 164.930320 - symbol: Ho # 19 coordinates: [ 0.083996460000000, 0.083996460000000, 0.916003540000000 ] mass: 164.930320 - symbol: Ho # 20 coordinates: [ 0.916003540000000, 0.916003540000000, 0.083996460000000 ] mass: 164.930320 reciprocal_lattice: # without 2pi - [ -0.123464240504459, 0.088539878696045, 0.041655132065541 ] # a* - [ 0.123464240504459, -0.088539878696045, 0.041655132065541 ] # b* - [ 0.123464240504459, 0.088539878696045, -0.041655132065541 ] # c*unit_cell: lattice: - [ 8.099511209999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.294345720000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 24.006645769999999 ] # c points: - symbol: Se # 1 coordinates: [ 0.006965460000000, 0.251282400000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.506965460000000, 0.248717600000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.993034540000000, 0.251282400000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.493034540000000, 0.248717600000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.243034540000000, 0.998717600000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.743034540000000, 0.001282400000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.256965460000000, 0.998717600000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.756965460000000, 0.001282400000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.744048350000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.755951650000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.505951650000000, 0.250000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.494048350000000, 0.750000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.006965460000000, 0.751282400000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 14 coordinates: [ 0.506965460000000, 0.748717600000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 15 coordinates: [ 0.993034540000000, 0.751282400000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 16 coordinates: [ 0.493034540000000, 0.748717600000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 17 coordinates: [ 0.243034540000000, 0.498717600000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 18 coordinates: [ 0.743034540000000, 0.501282400000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 19 coordinates: [ 0.256965460000000, 0.498717600000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 20 coordinates: [ 0.756965460000000, 0.501282400000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 21 coordinates: [ 0.744048350000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 22 coordinates: [ 0.755951650000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 23 coordinates: [ 0.505951650000000, 0.750000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 24 coordinates: [ 0.494048350000000, 0.250000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 25 coordinates: [ 0.506965460000000, 0.251282400000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 26 coordinates: [ 0.006965460000000, 0.248717600000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 27 coordinates: [ 0.493034540000000, 0.251282400000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 28 coordinates: [ 0.993034540000000, 0.248717600000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 29 coordinates: [ 0.743034540000000, 0.998717600000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 30 coordinates: [ 0.243034540000000, 0.001282400000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 31 coordinates: [ 0.756965460000000, 0.998717600000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 32 coordinates: [ 0.256965460000000, 0.001282400000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 33 coordinates: [ 0.244048350000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 34 coordinates: [ 0.255951650000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 35 coordinates: [ 0.005951650000000, 0.250000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 36 coordinates: [ 0.994048350000000, 0.750000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 37 coordinates: [ 0.506965460000000, 0.751282400000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 38 coordinates: [ 0.006965460000000, 0.748717600000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 39 coordinates: [ 0.493034540000000, 0.751282400000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 40 coordinates: [ 0.993034540000000, 0.748717600000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 41 coordinates: [ 0.743034540000000, 0.498717600000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 42 coordinates: [ 0.243034540000000, 0.501282400000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 43 coordinates: [ 0.756965460000000, 0.498717600000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 44 coordinates: [ 0.256965460000000, 0.501282400000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 45 coordinates: [ 0.244048350000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 46 coordinates: [ 0.255951650000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 47 coordinates: [ 0.005951650000000, 0.750000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 48 coordinates: [ 0.994048350000000, 0.250000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Ho # 49 coordinates: [ 0.750000000000000, 0.750000000000000, 0.502706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.497293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 51 coordinates: [ 0.500000000000000, 0.500000000000000, 0.747293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 52 coordinates: [ 0.500000000000000, 0.000000000000000, 0.752706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 53 coordinates: [ 0.750000000000000, 0.250000000000000, 0.666003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 54 coordinates: [ 0.750000000000000, 0.250000000000000, 0.833996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 55 coordinates: [ 0.500000000000000, 0.000000000000000, 0.583996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 57 coordinates: [ 0.750000000000000, 0.250000000000000, 0.002706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 58 coordinates: [ 0.750000000000000, 0.750000000000000, 0.997293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 59 coordinates: [ 0.500000000000000, 0.000000000000000, 0.247293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.252706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 61 coordinates: [ 0.750000000000000, 0.750000000000000, 0.166003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 62 coordinates: [ 0.750000000000000, 0.750000000000000, 0.333996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 63 coordinates: [ 0.500000000000000, 0.500000000000000, 0.083996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.916003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 65 coordinates: [ 0.250000000000000, 0.750000000000000, 0.002706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 66 coordinates: [ 0.250000000000000, 0.250000000000000, 0.997293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.247293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.252706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 69 coordinates: [ 0.250000000000000, 0.250000000000000, 0.166003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 70 coordinates: [ 0.250000000000000, 0.250000000000000, 0.333996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.083996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 72 coordinates: [ 0.000000000000000, 0.000000000000000, 0.916003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.502706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 74 coordinates: [ 0.250000000000000, 0.750000000000000, 0.497293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 75 coordinates: [ 0.000000000000000, 0.000000000000000, 0.747293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.752706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 77 coordinates: [ 0.250000000000000, 0.750000000000000, 0.666003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 78 coordinates: [ 0.250000000000000, 0.750000000000000, 0.833996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.416003540000000 ] mass: 164.930320 reduced_to: 56supercell: lattice: - [ 8.099511209999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.294345720000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 24.006645769999999 ] # c points: - symbol: Se # 1 coordinates: [ 0.006965460000000, 0.251282400000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.506965460000000, 0.248717600000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.993034540000000, 0.251282400000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.493034540000000, 0.248717600000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.243034540000000, 0.998717600000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.743034540000000, 0.001282400000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.256965460000000, 0.998717600000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.756965460000000, 0.001282400000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.744048350000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.755951650000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.505951650000000, 0.250000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.494048350000000, 0.750000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.006965460000000, 0.751282400000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 14 coordinates: [ 0.506965460000000, 0.748717600000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 15 coordinates: [ 0.993034540000000, 0.751282400000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 16 coordinates: [ 0.493034540000000, 0.748717600000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 17 coordinates: [ 0.243034540000000, 0.498717600000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 18 coordinates: [ 0.743034540000000, 0.501282400000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 19 coordinates: [ 0.256965460000000, 0.498717600000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 20 coordinates: [ 0.756965460000000, 0.501282400000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 21 coordinates: [ 0.744048350000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 22 coordinates: [ 0.755951650000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 23 coordinates: [ 0.505951650000000, 0.750000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 24 coordinates: [ 0.494048350000000, 0.250000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 25 coordinates: [ 0.506965460000000, 0.251282400000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 26 coordinates: [ 0.006965460000000, 0.248717600000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 27 coordinates: [ 0.493034540000000, 0.251282400000000, 0.081528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 28 coordinates: [ 0.993034540000000, 0.248717600000000, 0.918471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 29 coordinates: [ 0.743034540000000, 0.998717600000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 30 coordinates: [ 0.243034540000000, 0.001282400000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 31 coordinates: [ 0.756965460000000, 0.998717600000000, 0.168471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 32 coordinates: [ 0.256965460000000, 0.001282400000000, 0.331528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 33 coordinates: [ 0.244048350000000, 0.000000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 34 coordinates: [ 0.255951650000000, 0.500000000000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 35 coordinates: [ 0.005951650000000, 0.250000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 36 coordinates: [ 0.994048350000000, 0.750000000000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 37 coordinates: [ 0.506965460000000, 0.751282400000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 38 coordinates: [ 0.006965460000000, 0.748717600000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 39 coordinates: [ 0.493034540000000, 0.751282400000000, 0.581528960000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 40 coordinates: [ 0.993034540000000, 0.748717600000000, 0.418471040000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 41 coordinates: [ 0.743034540000000, 0.498717600000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 42 coordinates: [ 0.243034540000000, 0.501282400000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 43 coordinates: [ 0.756965460000000, 0.498717600000000, 0.668471040000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 44 coordinates: [ 0.256965460000000, 0.501282400000000, 0.831528960000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 45 coordinates: [ 0.244048350000000, 0.500000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 46 coordinates: [ 0.255951650000000, 0.000000000000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 47 coordinates: [ 0.005951650000000, 0.750000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 48 coordinates: [ 0.994048350000000, 0.250000000000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Ho # 49 coordinates: [ 0.750000000000000, 0.750000000000000, 0.502706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.497293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 51 coordinates: [ 0.500000000000000, 0.500000000000000, 0.747293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 52 coordinates: [ 0.500000000000000, 0.000000000000000, 0.752706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 53 coordinates: [ 0.750000000000000, 0.250000000000000, 0.666003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 54 coordinates: [ 0.750000000000000, 0.250000000000000, 0.833996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 55 coordinates: [ 0.500000000000000, 0.000000000000000, 0.583996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 57 coordinates: [ 0.750000000000000, 0.250000000000000, 0.002706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 58 coordinates: [ 0.750000000000000, 0.750000000000000, 0.997293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 59 coordinates: [ 0.500000000000000, 0.000000000000000, 0.247293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.252706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 61 coordinates: [ 0.750000000000000, 0.750000000000000, 0.166003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 62 coordinates: [ 0.750000000000000, 0.750000000000000, 0.333996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 63 coordinates: [ 0.500000000000000, 0.500000000000000, 0.083996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.916003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 65 coordinates: [ 0.250000000000000, 0.750000000000000, 0.002706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 66 coordinates: [ 0.250000000000000, 0.250000000000000, 0.997293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.247293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.252706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 69 coordinates: [ 0.250000000000000, 0.250000000000000, 0.166003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 70 coordinates: [ 0.250000000000000, 0.250000000000000, 0.333996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.083996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 72 coordinates: [ 0.000000000000000, 0.000000000000000, 0.916003540000000 ] mass: 164.930320 reduced_to: 56 - symbol: Ho # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.502706200000000 ] mass: 164.930320 reduced_to: 49 - symbol: Ho # 74 coordinates: [ 0.250000000000000, 0.750000000000000, 0.497293800000000 ] mass: 164.930320 reduced_to: 50 - symbol: Ho # 75 coordinates: [ 0.000000000000000, 0.000000000000000, 0.747293800000000 ] mass: 164.930320 reduced_to: 51 - symbol: Ho # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.752706200000000 ] mass: 164.930320 reduced_to: 52 - symbol: Ho # 77 coordinates: [ 0.250000000000000, 0.750000000000000, 0.666003540000000 ] mass: 164.930320 reduced_to: 53 - symbol: Ho # 78 coordinates: [ 0.250000000000000, 0.750000000000000, 0.833996460000000 ] mass: 164.930320 reduced_to: 54 - symbol: Ho # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583996460000000 ] mass: 164.930320 reduced_to: 55 - symbol: Ho # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.416003540000000 ] mass: 164.930320 reduced_to: 56displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0627062400000000, -0.0007290200000000, 0.0159918700000000 ] - [ 0.0081903200000000, 0.0002397500000000, -0.0009957400000000 ] - [ -0.0001961000000000, -0.0001092800000000, -0.0013227200000000 ] - [ 0.0117563600000000, -0.0006720400000000, 0.0025697900000000 ] - [ 0.0001879800000000, -0.0000606500000000, -0.0002429900000000 ] - [ 0.0001859200000000, 0.0000208400000000, 0.0000842700000000 ] - [ 0.0000719600000000, 0.0000629100000000, -0.0004197100000000 ] - [ -0.0001954600000000, 0.0000699600000000, -0.0002739600000000 ] - [ 0.0016865500000000, 0.0022068200000000, -0.0006795500000000 ] - [ 0.0002772400000000, -0.0043744500000000, -0.0021385900000000 ] - [ 0.0000098500000000, 0.0000191700000000, -0.0002864400000000 ] - [ -0.0000408800000000, -0.0000199600000000, -0.0001851400000000 ] - [ -0.0000579700000000, 0.0000864400000000, -0.0002189900000000 ] - [ -0.0001876000000000, -0.0000264400000000, -0.0002217100000000 ] - [ 0.0002215500000000, 0.0000320300000000, -0.0002627100000000 ] - [ 0.0000689400000000, -0.0000913400000000, -0.0002182100000000 ] - [ 0.0003881700000000, 0.0023694200000000, -0.0017109800000000 ] - [ 0.0001863000000000, 0.0002935800000000, -0.0002054900000000 ] - [ -0.0000888200000000, -0.0000300500000000, -0.0001202700000000 ] - [ 0.0006937100000000, -0.0011892200000000, 0.0020013900000000 ] - [ -0.0000323300000000, 0.0000261000000000, -0.0001886600000000 ] - [ 0.0000236500000000, -0.0000318600000000, -0.0001891200000000 ] - [ 0.0005033900000000, -0.0001440200000000, 0.0002141100000000 ] - [ 0.0024320500000000, 0.0000876200000000, -0.0025683400000000 ] - [ -0.0000225300000000, 0.0000923600000000, -0.0003022200000000 ] - [ -0.0002370700000000, -0.0000703800000000, -0.0003760600000000 ] - [ 0.0001942700000000, 0.0000831700000000, -0.0003991600000000 ] - [ 0.0000191900000000, -0.0000881700000000, -0.0002980700000000 ] - [ 0.0003966700000000, -0.0001282700000000, 0.0006787300000000 ] - [ 0.0000466700000000, -0.0000291600000000, -0.0000953700000000 ] - [ 0.0000719200000000, -0.0002103600000000, -0.0002299600000000 ] - [ 0.0006875900000000, -0.0015576100000000, -0.0005728300000000 ] - [ -0.0000284000000000, -0.0000014100000000, -0.0002111600000000 ] - [ 0.0000314100000000, 0.0000077700000000, -0.0002047500000000 ] - [ -0.0005204200000000, -0.0000020600000000, -0.0007118400000000 ] - [ -0.0002718500000000, -0.0000819600000000, 0.0002060800000000 ] - [ 0.0002164600000000, -0.0000994000000000, 0.0004562300000000 ] - [ -0.0006874100000000, -0.0001329300000000, -0.0000216400000000 ] - [ 0.0011871100000000, 0.0001074300000000, -0.0001178900000000 ] - [ 0.0007238300000000, -0.0007143700000000, 0.0003191100000000 ] - [ 0.0002044900000000, -0.0000534400000000, -0.0002920700000000 ] - [ 0.0000467400000000, 0.0000685800000000, -0.0001991000000000 ] - [ -0.0000888500000000, -0.0000765300000000, -0.0001980500000000 ] - [ -0.0001952500000000, 0.0000437100000000, -0.0002518900000000 ] - [ -0.0002524100000000, 0.0032189900000000, 0.0020952400000000 ] - [ 0.0011138600000000, -0.0018560900000000, 0.0011611600000000 ] - [ 0.0000776200000000, 0.0000423600000000, -0.0002134100000000 ] - [ 0.0001350800000000, -0.0000081800000000, -0.0003132500000000 ] - [ -0.0003775200000000, 0.0009849400000000, 0.0002142000000000 ] - [ 0.0057736400000000, -0.0025112500000000, -0.0099402600000000 ] - [ -0.0000266300000000, 0.0000381100000000, 0.0001960100000000 ] - [ 0.0001319600000000, -0.0000278100000000, 0.0003713300000000 ] - [ -0.0003753200000000, -0.0000851400000000, 0.0007168600000000 ] - [ -0.0000180000000000, -0.0000130300000000, 0.0004550000000000 ] - [ -0.0012932400000000, -0.0003097100000000, 0.0001234900000000 ] - [ -0.0011397900000000, 0.0007692300000000, -0.0011435100000000 ] - [ -0.0000133900000000, -0.0000025600000000, 0.0004598700000000 ] - [ 0.0000092400000000, 0.0000067700000000, 0.0001756300000000 ] - [ -0.0007319700000000, 0.0010238400000000, 0.0000265800000000 ] - [ -0.0015884900000000, -0.0011958800000000, 0.0001045400000000 ] - [ -0.0000563100000000, -0.0000022600000000, 0.0002888300000000 ] - [ -0.0002748900000000, 0.0006910800000000, -0.0009556100000000 ] - [ 0.0000125000000000, -0.0000604800000000, 0.0003207000000000 ] - [ -0.0000218700000000, 0.0000010500000000, 0.0004879200000000 ] - [ -0.0000166200000000, 0.0000009700000000, 0.0003899000000000 ] - [ 0.0000229000000000, -0.0000006600000000, 0.0002783500000000 ] - [ 0.0011785500000000, -0.0003822200000000, -0.0001416300000000 ] - [ 0.0006067200000000, 0.0003951000000000, 0.0000921700000000 ] - [ 0.0003218500000000, 0.0000222500000000, 0.0009870800000000 ] - [ 0.0127055300000000, 0.0013502200000000, -0.0112260500000000 ] - [ -0.0000459800000000, 0.0000151600000000, 0.0003348500000000 ] - [ 0.0000189800000000, 0.0000025000000000, 0.0004835600000000 ] - [ 0.0131361100000000, 0.0013323100000000, 0.0100685000000000 ] - [ -0.0001536200000000, -0.0005794000000000, -0.0005292800000000 ] - [ -0.0001274400000000, -0.0000033700000000, 0.0001934800000000 ] - [ 0.0000040200000000, 0.0000100700000000, 0.0003983200000000 ] - [ -0.0001007200000000, -0.0001278400000000, 0.0004051500000000 ] - [ 0.0000003200000000, 0.0000069700000000, 0.0003328800000000 ] - [ 0.0016767500000000, 0.0004339000000000, 0.0002253700000000 ] - [ 0.0045354800000000, 0.0016267900000000, -0.0025141500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0621415100000000, 0.0010039600000000, -0.0165743300000000 ] - [ -0.0084604000000000, -0.0003834600000000, 0.0009635100000000 ] - [ 0.0004512700000000, 0.0002525900000000, 0.0012824100000000 ] - [ -0.0114779200000000, 0.0005255400000000, -0.0025432100000000 ] - [ 0.0000540100000000, -0.0000776400000000, 0.0002026800000000 ] - [ 0.0000554600000000, 0.0001159000000000, -0.0000430800000000 ] - [ -0.0003159100000000, -0.0002026400000000, 0.0004623000000000 ] - [ -0.0000474600000000, 0.0000679100000000, 0.0002346900000000 ] - [ -0.0017493400000000, -0.0022337700000000, 0.0006861100000000 ] - [ -0.0002116600000000, 0.0044069200000000, 0.0021457700000000 ] - [ 0.0000445300000000, -0.0000191300000000, 0.0002897700000000 ] - [ -0.0000142900000000, 0.0000199800000000, 0.0001852400000000 ] - [ -0.0001853400000000, 0.0000514400000000, 0.0002627100000000 ] - [ -0.0000547900000000, -0.0001118700000000, 0.0001822900000000 ] - [ 0.0000202000000000, 0.0001060800000000, 0.0002231800000000 ] - [ 0.0001738300000000, -0.0000465000000000, 0.0002609600000000 ] - [ -0.0001604800000000, -0.0025005600000000, 0.0016752100000000 ] - [ 0.0000556300000000, -0.0001559600000000, 0.0002493400000000 ] - [ -0.0001544600000000, -0.0001075900000000, 0.0001644800000000 ] - [ -0.0009297000000000, 0.0013280900000000, -0.0020376100000000 ] - [ -0.0000228700000000, -0.0000260100000000, 0.0001901700000000 ] - [ 0.0000305100000000, 0.0000316400000000, 0.0001908000000000 ] - [ -0.0004492200000000, 0.0001418900000000, -0.0002107800000000 ] - [ -0.0024750300000000, -0.0000876800000000, 0.0025587000000000 ] - [ -0.0002208800000000, 0.0000456900000000, 0.0003456400000000 ] - [ -0.0000058200000000, -0.0000680300000000, 0.0003364800000000 ] - [ 0.0000473600000000, 0.0000551900000000, 0.0003597400000000 ] - [ 0.0002234900000000, -0.0000495700000000, 0.0003404200000000 ] - [ -0.0001515600000000, -0.0000152100000000, -0.0007232400000000 ] - [ 0.0001962300000000, 0.0001671900000000, 0.0001381100000000 ] - [ -0.0003159800000000, 0.0000717800000000, 0.0002722600000000 ] - [ -0.0009359600000000, 0.0016905600000000, 0.0005297000000000 ] - [ -0.0000269800000000, 0.0000010300000000, 0.0002125700000000 ] - [ 0.0000232200000000, -0.0000074500000000, 0.0002063900000000 ] - [ 0.0005680900000000, 0.0000039500000000, 0.0007153100000000 ] - [ 0.0002163000000000, 0.0000815200000000, -0.0002042700000000 ] - [ -0.0004605900000000, 0.0002353900000000, -0.0004178400000000 ] - [ 0.0004470400000000, -0.0000035300000000, -0.0000236200000000 ] - [ -0.0009500700000000, 0.0000253400000000, 0.0000718400000000 ] - [ -0.0004758200000000, 0.0005292600000000, -0.0002907800000000 ] - [ 0.0000369600000000, -0.0000849000000000, 0.0002520900000000 ] - [ 0.0001960100000000, 0.0000698200000000, 0.0002405200000000 ] - [ -0.0001544700000000, -0.0000603200000000, 0.0002397400000000 ] - [ -0.0000472200000000, 0.0000943100000000, 0.0002125200000000 ] - [ 0.0001833600000000, -0.0032301900000000, -0.0021075000000000 ] - [ -0.0010680700000000, 0.0018494900000000, -0.0011641100000000 ] - [ -0.0000235500000000, -0.0000427400000000, 0.0002134900000000 ] - [ -0.0001893100000000, 0.0000076200000000, 0.0003154600000000 ] - [ 0.0003687700000000, -0.0009831600000000, -0.0000093400000000 ] - [ -0.0062614200000000, 0.0025135900000000, 0.0103250900000000 ] - [ 0.0000261500000000, -0.0000383600000000, -0.0003926300000000 ] - [ -0.0001311600000000, 0.0000290900000000, -0.0001779800000000 ] - [ 0.0003749900000000, 0.0000875300000000, -0.0005948400000000 ] - [ 0.0000161100000000, 0.0000128000000000, -0.0005866900000000 ] - [ 0.0013016100000000, 0.0003218800000000, -0.0002530700000000 ] - [ 0.0011486000000000, -0.0007533600000000, 0.0012832200000000 ] - [ 0.0000132100000000, 0.0000021900000000, -0.0002673800000000 ] - [ -0.0000092100000000, -0.0000073800000000, -0.0003729400000000 ] - [ 0.0007299000000000, -0.0010198100000000, -0.0002227000000000 ] - [ 0.0015892800000000, 0.0011922300000000, 0.0000834200000000 ] - [ 0.0000558000000000, 0.0000018900000000, -0.0001601700000000 ] - [ 0.0002694700000000, -0.0006865200000000, 0.0008172000000000 ] - [ -0.0000131000000000, 0.0000607700000000, -0.0004538200000000 ] - [ 0.0000219200000000, -0.0000011700000000, -0.0003602400000000 ] - [ 0.0000180900000000, -0.0000014100000000, -0.0001966900000000 ] - [ -0.0000231500000000, 0.0000004300000000, -0.0004753200000000 ] - [ -0.0011786700000000, 0.0003825300000000, -0.0000584100000000 ] - [ -0.0006059500000000, -0.0003965800000000, 0.0001004400000000 ] - [ -0.0003184300000000, -0.0000216200000000, -0.0008585100000000 ] - [ -0.0122815400000000, -0.0013605000000000, 0.0105458100000000 ] - [ 0.0000464500000000, -0.0000165400000000, -0.0004706600000000 ] - [ -0.0000200100000000, -0.0000022500000000, -0.0003554900000000 ] - [ -0.0127058400000000, -0.0013479300000000, -0.0092795600000000 ] - [ 0.0001629800000000, 0.0005902400000000, 0.0003451500000000 ] - [ 0.0001251600000000, 0.0000044800000000, -0.0003914200000000 ] - [ -0.0000036300000000, -0.0000092700000000, -0.0002057300000000 ] - [ 0.0001008100000000, 0.0001274000000000, -0.0002733900000000 ] - [ -0.0000004400000000, -0.0000048100000000, -0.0004651900000000 ] - [ -0.0016873600000000, -0.0004413700000000, -0.0003523600000000 ] - [ -0.0045592300000000, -0.0017003700000000, 0.0026619600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009254600000000, -0.0517044800000000, -0.0013442600000000 ] - [ -0.0004349900000000, 0.0011633800000000, -0.0013620900000000 ] - [ 0.0002999400000000, -0.0015675700000000, -0.0012900100000000 ] - [ -0.0004891100000000, -0.0010102100000000, -0.0000892200000000 ] - [ 0.0001253700000000, -0.0000265400000000, -0.0001510800000000 ] - [ -0.0001072900000000, 0.0002594600000000, -0.0003261200000000 ] - [ 0.0000240600000000, 0.0001924300000000, -0.0001780300000000 ] - [ -0.0001422300000000, 0.0000777300000000, -0.0001407700000000 ] - [ 0.0008916000000000, 0.0024784400000000, -0.0006915700000000 ] - [ -0.0018523200000000, 0.0016550700000000, 0.0026758000000000 ] - [ 0.0000751100000000, -0.0001383000000000, -0.0001972700000000 ] - [ 0.0000012700000000, 0.0000368500000000, 0.0000247400000000 ] - [ -0.0000989500000000, 0.0000966500000000, -0.0000491200000000 ] - [ -0.0001594200000000, -0.0000555400000000, -0.0001558200000000 ] - [ 0.0001539700000000, 0.0001799100000000, -0.0001204700000000 ] - [ 0.0000941300000000, -0.0000575300000000, -0.0000453900000000 ] - [ 0.0025638700000000, 0.0008323900000000, -0.0032676600000000 ] - [ 0.0001639000000000, 0.0002579200000000, -0.0004849200000000 ] - [ -0.0001084400000000, -0.0003300800000000, -0.0004480000000000 ] - [ -0.0017494000000000, 0.0013759600000000, -0.0023385100000000 ] - [ -0.0000211000000000, -0.0000316100000000, -0.0001159200000000 ] - [ 0.0000476800000000, 0.0000172100000000, -0.0000337800000000 ] - [ -0.0000933600000000, 0.0010612200000000, -0.0003277200000000 ] - [ -0.0005507000000000, 0.0000423500000000, 0.0006457500000000 ] - [ -0.0000924700000000, 0.0000600000000000, -0.0000395800000000 ] - [ -0.0001155300000000, -0.0000626000000000, 0.0000006800000000 ] - [ 0.0001025700000000, -0.0000463300000000, 0.0000025100000000 ] - [ 0.0000965900000000, -0.0000944300000000, -0.0000481800000000 ] - [ 0.0000562100000000, 0.0008625500000000, 0.0001797200000000 ] - [ 0.0001167200000000, 0.0000708400000000, 0.0001287700000000 ] - [ -0.0002486900000000, 0.0001921400000000, 0.0001918100000000 ] - [ -0.0013662100000000, 0.0013650100000000, 0.0013876000000000 ] - [ -0.0000492000000000, 0.0000446500000000, -0.0000330900000000 ] - [ 0.0000175600000000, -0.0000249700000000, -0.0001160600000000 ] - [ 0.0000713300000000, -0.0007709500000000, 0.0007740800000000 ] - [ -0.0000018500000000, 0.0004003100000000, -0.0001857800000000 ] - [ -0.0002846500000000, 0.0006212100000000, 0.0001206600000000 ] - [ -0.0000514700000000, 0.0000469800000000, 0.0003316900000000 ] - [ 0.0000754500000000, 0.0014288100000000, 0.0003201600000000 ] - [ -0.0005081500000000, 0.0059568800000000, 0.0010672800000000 ] - [ 0.0001326700000000, -0.0001120900000000, -0.0000326800000000 ] - [ 0.0002144100000000, 0.0000685900000000, 0.0002617200000000 ] - [ -0.0001554300000000, -0.0003302200000000, 0.0001788700000000 ] - [ -0.0001158200000000, 0.0000765800000000, -0.0000371100000000 ] - [ 0.0020758600000000, 0.0025023600000000, 0.0032697800000000 ] - [ -0.0013614900000000, 0.0029744100000000, -0.0009068800000000 ] - [ 0.0000126400000000, 0.0001487000000000, 0.0000129900000000 ] - [ -0.0000839200000000, -0.0000011900000000, -0.0002166000000000 ] - [ 0.0013160800000000, -0.0024884500000000, -0.0012070100000000 ] - [ -0.0023901500000000, 0.0022739000000000, 0.0023933700000000 ] - [ -0.0000573800000000, 0.0001168600000000, -0.0001412600000000 ] - [ -0.0000347600000000, -0.0000455200000000, 0.0002764200000000 ] - [ -0.0000687100000000, 0.0002220500000000, 0.0008690300000000 ] - [ -0.0000100000000000, 0.0000514500000000, 0.0001162000000000 ] - [ 0.0000868800000000, -0.0012287300000000, 0.0011064700000000 ] - [ 0.0003291800000000, -0.0006137800000000, -0.0003854700000000 ] - [ -0.0000121600000000, 0.0000522500000000, 0.0001664600000000 ] - [ -0.0000150200000000, -0.0000401500000000, 0.0000022700000000 ] - [ 0.0005829600000000, -0.0007075500000000, -0.0007971600000000 ] - [ -0.0003526300000000, 0.0000933600000000, 0.0017647300000000 ] - [ -0.0000608700000000, -0.0003436300000000, 0.0003799900000000 ] - [ 0.0009428800000000, -0.0015675100000000, 0.0008777100000000 ] - [ 0.0000149700000000, 0.0000871500000000, 0.0003126800000000 ] - [ -0.0000025700000000, 0.0000173700000000, 0.0001907500000000 ] - [ 0.0000187100000000, -0.0000533400000000, 0.0002163600000000 ] - [ 0.0000058900000000, 0.0000385200000000, -0.0000640500000000 ] - [ 0.0000799700000000, 0.0005854900000000, 0.0009281700000000 ] - [ -0.0003175700000000, -0.0003598700000000, -0.0004529400000000 ] - [ 0.0000655200000000, 0.0002489900000000, -0.0001989200000000 ] - [ 0.0018532900000000, 0.0026487000000000, -0.0033636100000000 ] - [ 0.0000032200000000, -0.0000734700000000, -0.0001110000000000 ] - [ 0.0000023600000000, -0.0000212700000000, 0.0002144600000000 ] - [ 0.0021841000000000, 0.0033085600000000, 0.0027723800000000 ] - [ -0.0014505200000000, -0.0031770900000000, -0.0013669100000000 ] - [ 0.0000587000000000, -0.0001353800000000, 0.0000708500000000 ] - [ 0.0000174100000000, 0.0000393300000000, 0.0000462600000000 ] - [ -0.0000776900000000, -0.0002282200000000, -0.0002597600000000 ] - [ 0.0000116900000000, -0.0000573700000000, 0.0000150600000000 ] - [ 0.0002088200000000, 0.0011394200000000, -0.0015263600000000 ] - [ 0.0008221300000000, 0.0300356200000000, 0.0003539400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008181300000000, 0.0502704300000000, 0.0015579900000000 ] - [ 0.0001942400000000, -0.0013199500000000, 0.0012550800000000 ] - [ -0.0000682200000000, 0.0017269600000000, 0.0011964700000000 ] - [ 0.0007021300000000, 0.0008651600000000, 0.0001531100000000 ] - [ 0.0001020200000000, -0.0001363200000000, 0.0000860600000000 ] - [ 0.0003361200000000, -0.0000934400000000, 0.0003900700000000 ] - [ -0.0002522900000000, -0.0003538100000000, 0.0002428200000000 ] - [ -0.0000855600000000, 0.0000865300000000, 0.0000768200000000 ] - [ -0.0009956500000000, -0.0024809000000000, 0.0007060600000000 ] - [ 0.0019191200000000, -0.0016495000000000, -0.0026516200000000 ] - [ 0.0000120300000000, 0.0001381800000000, 0.0001918900000000 ] - [ -0.0000866700000000, -0.0000368100000000, -0.0000241700000000 ] - [ -0.0001283700000000, 0.0000672600000000, 0.0001122600000000 ] - [ -0.0000679800000000, -0.0001082500000000, 0.0000904000000000 ] - [ 0.0000738700000000, -0.0000159900000000, 0.0000549800000000 ] - [ 0.0001328600000000, -0.0001064200000000, 0.0001074300000000 ] - [ -0.0023128500000000, -0.0009875100000000, 0.0031771500000000 ] - [ 0.0000629900000000, -0.0000950600000000, 0.0005452500000000 ] - [ -0.0001189600000000, 0.0001640200000000, 0.0005080900000000 ] - [ 0.0015051900000000, -0.0012026600000000, 0.0022529400000000 ] - [ -0.0000648400000000, 0.0000309700000000, 0.0001145600000000 ] - [ 0.0000373800000000, -0.0000168500000000, 0.0000330500000000 ] - [ 0.0001773400000000, -0.0010583800000000, 0.0003223400000000 ] - [ 0.0004495400000000, -0.0000456400000000, -0.0006257300000000 ] - [ -0.0001340600000000, 0.0001031700000000, 0.0001019600000000 ] - [ -0.0001115900000000, -0.0001003400000000, -0.0000639900000000 ] - [ 0.0001241400000000, 0.0002087000000000, -0.0000648500000000 ] - [ 0.0001295200000000, -0.0000681700000000, 0.0001093300000000 ] - [ 0.0001631400000000, -0.0010263700000000, -0.0002475700000000 ] - [ 0.0001092300000000, 0.0000947900000000, -0.0000665000000000 ] - [ 0.0000229300000000, -0.0003547900000000, -0.0001295800000000 ] - [ 0.0011574300000000, -0.0012131900000000, -0.0014649500000000 ] - [ -0.0000363600000000, -0.0000442400000000, 0.0000321700000000 ] - [ 0.0000689400000000, 0.0000243600000000, 0.0001147500000000 ] - [ 0.0000163900000000, 0.0007716000000000, -0.0007604500000000 ] - [ -0.0000837100000000, -0.0003985600000000, 0.0001840500000000 ] - [ 0.0000560400000000, -0.0004536000000000, -0.0000570500000000 ] - [ -0.0001752300000000, -0.0002126600000000, -0.0003911900000000 ] - [ 0.0001518200000000, -0.0012643600000000, -0.0003733400000000 ] - [ 0.0007293300000000, -0.0060509700000000, -0.0009935200000000 ] - [ 0.0000947800000000, -0.0000525200000000, -0.0000324000000000 ] - [ 0.0000121100000000, 0.0000924700000000, -0.0001976000000000 ] - [ -0.0000721800000000, 0.0001635400000000, -0.0001163700000000 ] - [ -0.0001116000000000, 0.0000861200000000, -0.0000269000000000 ] - [ -0.0021363600000000, -0.0024894000000000, -0.0032376600000000 ] - [ 0.0014701300000000, -0.0029868700000000, 0.0009268100000000 ] - [ 0.0000721500000000, -0.0001485900000000, -0.0000125500000000 ] - [ -0.0000035400000000, 0.0000002300000000, 0.0002110800000000 ] - [ -0.0013044300000000, 0.0024861400000000, 0.0014010000000000 ] - [ 0.0024585800000000, -0.0022932900000000, -0.0026664100000000 ] - [ 0.0000571200000000, -0.0001133000000000, -0.0000651200000000 ] - [ 0.0000331400000000, 0.0000419700000000, -0.0000695000000000 ] - [ 0.0000691200000000, -0.0002209600000000, -0.0007015600000000 ] - [ 0.0000094300000000, -0.0000506500000000, -0.0002559200000000 ] - [ -0.0000907700000000, 0.0012092800000000, -0.0012645300000000 ] - [ -0.0003292000000000, 0.0005942000000000, 0.0005310300000000 ] - [ 0.0000124800000000, -0.0000522300000000, 0.0000390300000000 ] - [ 0.0000143700000000, 0.0000396500000000, -0.0002047000000000 ] - [ -0.0005845400000000, 0.0006979800000000, 0.0005941100000000 ] - [ 0.0003537800000000, -0.0000833700000000, -0.0015497300000000 ] - [ 0.0000591100000000, 0.0003423500000000, -0.0002289200000000 ] - [ -0.0009323800000000, 0.0015592500000000, -0.0010109700000000 ] - [ -0.0000151100000000, -0.0000850400000000, -0.0004544300000000 ] - [ 0.0000028000000000, -0.0000167800000000, -0.0000428500000000 ] - [ -0.0000195800000000, 0.0000539400000000, -0.0000094200000000 ] - [ -0.0000060100000000, -0.0000389100000000, -0.0001408100000000 ] - [ -0.0000809600000000, -0.0005770300000000, -0.0011306200000000 ] - [ 0.0003177500000000, 0.0003520300000000, 0.0006578400000000 ] - [ -0.0000655200000000, -0.0002476600000000, 0.0003378500000000 ] - [ -0.0019276500000000, -0.0026603500000000, 0.0032616300000000 ] - [ -0.0000032000000000, 0.0000720700000000, -0.0000334300000000 ] - [ -0.0000021900000000, 0.0000203700000000, -0.0000665900000000 ] - [ -0.0022566300000000, -0.0033133000000000, -0.0026419100000000 ] - [ 0.0014361600000000, 0.0031728800000000, 0.0011482900000000 ] - [ -0.0000566900000000, 0.0001321300000000, -0.0002752800000000 ] - [ -0.0000174400000000, -0.0000362400000000, 0.0001594000000000 ] - [ 0.0000801200000000, 0.0002286900000000, 0.0003963700000000 ] - [ -0.0000110800000000, 0.0000582100000000, -0.0001596900000000 ] - [ -0.0002075300000000, -0.0011257200000000, 0.0013761900000000 ] - [ -0.0008481000000000, -0.0284687100000000, -0.0002473200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0158583100000000, -0.0013102700000000, -0.0656915200000000 ] - [ 0.0008593300000000, -0.0013894400000000, 0.0054314800000000 ] - [ -0.0011860600000000, 0.0013235100000000, 0.0061232100000000 ] - [ -0.0024340800000000, 0.0000454800000000, -0.0047932400000000 ] - [ -0.0001021500000000, -0.0001955500000000, 0.0008174000000000 ] - [ 0.0003465100000000, -0.0004391800000000, 0.0007852000000000 ] - [ -0.0003706600000000, -0.0002383800000000, 0.0005831500000000 ] - [ 0.0001114700000000, 0.0000819300000000, 0.0008107800000000 ] - [ -0.0011595700000000, -0.0017917800000000, -0.0007204900000000 ] - [ -0.0005718800000000, 0.0032036600000000, -0.0004683500000000 ] - [ -0.0000954600000000, -0.0000160200000000, 0.0012926500000000 ] - [ -0.0001161500000000, 0.0000355000000000, 0.0004941400000000 ] - [ -0.0003608200000000, -0.0000038200000000, 0.0008569900000000 ] - [ 0.0000816400000000, -0.0001997700000000, 0.0007298400000000 ] - [ -0.0001224600000000, 0.0001642900000000, 0.0007960500000000 ] - [ 0.0003596300000000, -0.0000002200000000, 0.0008662500000000 ] - [ -0.0015672500000000, -0.0032854700000000, 0.0015673300000000 ] - [ 0.0000574700000000, -0.0002805000000000, 0.0007875800000000 ] - [ -0.0003389700000000, -0.0002241200000000, 0.0006918600000000 ] - [ 0.0004318600000000, -0.0013468100000000, -0.0000425500000000 ] - [ -0.0000307900000000, -0.0000919300000000, 0.0006919500000000 ] - [ 0.0000283700000000, 0.0000834900000000, 0.0006658400000000 ] - [ -0.0004310300000000, -0.0003282400000000, 0.0001779900000000 ] - [ -0.0023780900000000, 0.0001252700000000, 0.0038140700000000 ] - [ -0.0004436700000000, 0.0000066200000000, 0.0011641400000000 ] - [ 0.0002353800000000, -0.0000451100000000, 0.0012523500000000 ] - [ -0.0002585500000000, 0.0000437700000000, 0.0013232000000000 ] - [ 0.0004387700000000, 0.0000014600000000, 0.0011518800000000 ] - [ 0.0008203600000000, 0.0001347100000000, -0.0010192200000000 ] - [ 0.0003398800000000, 0.0003060700000000, 0.0004932300000000 ] - [ -0.0005605200000000, 0.0001326600000000, 0.0005850600000000 ] - [ -0.0021328900000000, 0.0023629700000000, -0.0000494800000000 ] - [ -0.0000334500000000, 0.0000008600000000, 0.0006741100000000 ] - [ 0.0000180300000000, -0.0000051100000000, 0.0006931200000000 ] - [ 0.0000073300000000, 0.0000158500000000, 0.0037612600000000 ] - [ 0.0002412300000000, -0.0002063500000000, -0.0001992900000000 ] - [ 0.0003166100000000, 0.0001651700000000, -0.0017405900000000 ] - [ -0.0001212500000000, 0.0002832700000000, -0.0003712600000000 ] - [ 0.0000253800000000, -0.0002712600000000, -0.0000241800000000 ] - [ -0.0001814200000000, -0.0011276700000000, -0.0012052600000000 ] - [ -0.0001515200000000, -0.0000770200000000, 0.0008023700000000 ] - [ 0.0002362200000000, 0.0001748400000000, 0.0004901100000000 ] - [ -0.0002620500000000, 0.0004022300000000, 0.0006881900000000 ] - [ 0.0001336900000000, 0.0001856000000000, 0.0008106300000000 ] - [ 0.0008118100000000, 0.0035244000000000, -0.0005937200000000 ] - [ 0.0012749900000000, -0.0021350700000000, -0.0007430700000000 ] - [ 0.0001013500000000, -0.0000728300000000, 0.0005341200000000 ] - [ 0.0000636700000000, 0.0000301300000000, 0.0014326800000000 ] - [ -0.0001113100000000, -0.0005678700000000, 0.0014971400000000 ] - [ -0.0109934900000000, 0.0015324300000000, 0.0161747100000000 ] - [ 0.0001126200000000, -0.0002785500000000, -0.0010392700000000 ] - [ 0.0000903400000000, 0.0002454400000000, -0.0008315300000000 ] - [ 0.0004047400000000, -0.0000449000000000, -0.0037428900000000 ] - [ 0.0000498600000000, -0.0000092100000000, -0.0019866100000000 ] - [ 0.0001147600000000, 0.0019033900000000, -0.0005856800000000 ] - [ 0.0004898900000000, -0.0002910300000000, 0.0041828800000000 ] - [ -0.0000128000000000, -0.0000123700000000, -0.0011810100000000 ] - [ -0.0000157800000000, 0.0000135900000000, -0.0010803100000000 ] - [ 0.0006990900000000, -0.0010114400000000, -0.0005618900000000 ] - [ 0.0010312700000000, 0.0011515200000000, -0.0011252800000000 ] - [ 0.0002086900000000, 0.0000893500000000, -0.0009772200000000 ] - [ -0.0001610400000000, 0.0007097500000000, 0.0019158700000000 ] - [ 0.0000110200000000, 0.0001687600000000, -0.0014550900000000 ] - [ 0.0000046200000000, -0.0000009900000000, -0.0013636700000000 ] - [ 0.0000158600000000, 0.0000038900000000, -0.0008857100000000 ] - [ -0.0000085200000000, -0.0000077400000000, -0.0014234600000000 ] - [ -0.0005862100000000, 0.0011403500000000, -0.0006253700000000 ] - [ -0.0004969200000000, -0.0012172600000000, 0.0001113800000000 ] - [ 0.0000444800000000, -0.0000676600000000, -0.0027309200000000 ] - [ -0.0078384900000000, -0.0022680000000000, 0.0102044200000000 ] - [ 0.0000081300000000, -0.0001347800000000, -0.0013729200000000 ] - [ -0.0000061700000000, 0.0000005200000000, -0.0013508500000000 ] - [ 0.0109105200000000, 0.0013596400000000, 0.0191711400000000 ] - [ 0.0001601100000000, -0.0005267000000000, 0.0014398500000000 ] - [ -0.0001080000000000, 0.0003450900000000, -0.0011094600000000 ] - [ -0.0000895700000000, -0.0002989900000000, -0.0008357800000000 ] - [ 0.0001962400000000, 0.0000729400000000, -0.0004086200000000 ] - [ -0.0000142000000000, 0.0000066200000000, -0.0014093800000000 ] - [ -0.0001892700000000, -0.0017642200000000, -0.0000749900000000 ] - [ -0.0017089900000000, 0.0020066300000000, 0.0072825900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0167009600000000, 0.0015902300000000, 0.0653177300000000 ] - [ -0.0010941300000000, 0.0012303100000000, -0.0054570100000000 ] - [ 0.0014135000000000, -0.0011649600000000, -0.0060900600000000 ] - [ 0.0026733800000000, -0.0001944700000000, 0.0048469600000000 ] - [ 0.0003376800000000, 0.0000433200000000, -0.0008697500000000 ] - [ -0.0001139600000000, 0.0005893100000000, -0.0007384800000000 ] - [ 0.0001373300000000, 0.0000848100000000, -0.0005371400000000 ] - [ -0.0003473500000000, 0.0000697800000000, -0.0008623500000000 ] - [ 0.0010912600000000, 0.0017873800000000, 0.0007172300000000 ] - [ 0.0006413000000000, -0.0032013700000000, 0.0004554900000000 ] - [ 0.0001668200000000, 0.0000161100000000, -0.0012899500000000 ] - [ 0.0000436800000000, -0.0000358300000000, -0.0004966900000000 ] - [ 0.0001264800000000, 0.0001556000000000, -0.0008075200000000 ] - [ -0.0003165500000000, 0.0000484300000000, -0.0007801000000000 ] - [ 0.0003577300000000, -0.0000130300000000, -0.0008471000000000 ] - [ -0.0001255000000000, -0.0001511200000000, -0.0008177600000000 ] - [ 0.0018132500000000, 0.0031610400000000, -0.0016147900000000 ] - [ 0.0001794700000000, 0.0004332500000000, -0.0007359200000000 ] - [ 0.0001041100000000, 0.0000734500000000, -0.0006390700000000 ] - [ -0.0006649400000000, 0.0015031100000000, 0.0000061400000000 ] - [ -0.0000406000000000, 0.0000924600000000, -0.0006924100000000 ] - [ 0.0000429700000000, -0.0000842800000000, -0.0006662200000000 ] - [ 0.0005062200000000, 0.0003280300000000, -0.0001751900000000 ] - [ 0.0023198600000000, -0.0001267500000000, -0.0038387300000000 ] - [ 0.0002101600000000, 0.0001456100000000, -0.0011160600000000 ] - [ -0.0004716100000000, -0.0001072600000000, -0.0013061600000000 ] - [ 0.0004946000000000, 0.0001084500000000, -0.0013767800000000 ] - [ -0.0002057400000000, -0.0001535000000000, -0.0011045700000000 ] - [ -0.0005873100000000, -0.0002900900000000, 0.0009760100000000 ] - [ -0.0001051400000000, -0.0001550800000000, -0.0004421900000000 ] - [ 0.0003269800000000, -0.0002859800000000, -0.0005351900000000 ] - [ 0.0019119000000000, -0.0022304700000000, -0.0000007900000000 ] - [ -0.0000384800000000, -0.0000018600000000, -0.0006747300000000 ] - [ 0.0000539000000000, 0.0000060400000000, -0.0006934600000000 ] - [ 0.0000618300000000, -0.0000133000000000, -0.0038152900000000 ] - [ -0.0003152800000000, 0.0002047700000000, 0.0002042100000000 ] - [ -0.0005522500000000, -0.0000149000000000, 0.0017947700000000 ] - [ -0.0001133000000000, -0.0004373600000000, 0.0003169900000000 ] - [ 0.0002091700000000, 0.0004200500000000, -0.0000308700000000 ] - [ 0.0004229800000000, 0.0009348000000000, 0.0012474200000000 ] - [ 0.0003870000000000, -0.0000748700000000, -0.0008552100000000 ] - [ -0.0000032600000000, -0.0000225600000000, -0.0004453400000000 ] - [ 0.0000284900000000, -0.0005523100000000, -0.0006429700000000 ] - [ -0.0003694400000000, -0.0000340300000000, -0.0008624000000000 ] - [ -0.0008820800000000, -0.0035315900000000, 0.0005743700000000 ] - [ -0.0012083700000000, 0.0021322700000000, 0.0007387700000000 ] - [ -0.0000292800000000, 0.0000726500000000, -0.0005367600000000 ] - [ -0.0001356100000000, -0.0000305300000000, -0.0014288200000000 ] - [ 0.0001048100000000, 0.0005741400000000, -0.0012926900000000 ] - [ 0.0104216700000000, -0.0015380800000000, -0.0160137000000000 ] - [ -0.0001105000000000, 0.0002780100000000, 0.0008431500000000 ] - [ -0.0000903400000000, -0.0002449900000000, 0.0010370500000000 ] - [ -0.0003994100000000, 0.0000455100000000, 0.0038742800000000 ] - [ -0.0000493900000000, 0.0000085500000000, 0.0018463600000000 ] - [ -0.0001123800000000, -0.0018917100000000, 0.0004511700000000 ] - [ -0.0004938800000000, 0.0002921100000000, -0.0040520900000000 ] - [ 0.0000135300000000, 0.0000119300000000, 0.0013841200000000 ] - [ 0.0000155800000000, -0.0000134100000000, 0.0008833400000000 ] - [ -0.0007059200000000, 0.0010187300000000, 0.0003613100000000 ] - [ -0.0010427600000000, -0.0011611500000000, 0.0013216300000000 ] - [ -0.0002097600000000, -0.0000886300000000, 0.0011224600000000 ] - [ 0.0001574100000000, -0.0007073800000000, -0.0020750000000000 ] - [ -0.0000112800000000, -0.0001696800000000, 0.0013145300000000 ] - [ -0.0000040000000000, -0.0000002100000000, 0.0015096000000000 ] - [ -0.0000160400000000, -0.0000034500000000, 0.0010905000000000 ] - [ 0.0000083900000000, 0.0000069000000000, 0.0012282800000000 ] - [ 0.0005924800000000, -0.0011435000000000, 0.0004136900000000 ] - [ 0.0005032700000000, 0.0012221200000000, 0.0000818400000000 ] - [ -0.0000435500000000, 0.0000688900000000, 0.0028871200000000 ] - [ 0.0083772900000000, 0.0022731000000000, -0.0107440300000000 ] - [ -0.0000068700000000, 0.0001337200000000, 0.0012304600000000 ] - [ 0.0000051200000000, -0.0000003400000000, 0.0014969500000000 ] - [ -0.0103010800000000, -0.0013662400000000, -0.0185178400000000 ] - [ -0.0001531200000000, 0.0005361900000000, -0.0016375400000000 ] - [ 0.0001078100000000, -0.0003431600000000, 0.0009136300000000 ] - [ 0.0000872800000000, 0.0002971800000000, 0.0010384800000000 ] - [ -0.0001950900000000, -0.0000726800000000, 0.0005610500000000 ] - [ 0.0000128200000000, -0.0000042000000000, 0.0012689400000000 ] - [ 0.0001849500000000, 0.0017572800000000, -0.0000464800000000 ] - [ 0.0017120100000000, -0.0020993300000000, -0.0071528500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015962500000000, 0.0010053600000000, -0.0011186600000000 ] - [ -0.0003395400000000, -0.0021601200000000, -0.0008570500000000 ] - [ 0.0012173600000000, 0.0014783900000000, 0.0012356400000000 ] - [ 0.0003744200000000, -0.0019399100000000, 0.0006175600000000 ] - [ 0.0001073600000000, -0.0000241300000000, -0.0001405700000000 ] - [ -0.0004186900000000, 0.0000290100000000, 0.0000381300000000 ] - [ 0.0023242700000000, 0.0004443200000000, -0.0023370000000000 ] - [ 0.0000378900000000, 0.0000155300000000, -0.0001082900000000 ] - [ -0.0518651700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007712500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000385300000000, -0.0000778100000000, 0.0000950700000000 ] - [ -0.0000044200000000, 0.0001521300000000, 0.0001012100000000 ] - [ -0.0001289400000000, 0.0000770300000000, 0.0000147500000000 ] - [ -0.0001249400000000, -0.0000496100000000, -0.0000122000000000 ] - [ 0.0001290800000000, 0.0000809900000000, -0.0000275600000000 ] - [ 0.0001216100000000, -0.0000509300000000, 0.0000167500000000 ] - [ 0.0006014900000000, -0.0001905200000000, -0.0004783400000000 ] - [ 0.0001752400000000, 0.0000851200000000, -0.0000552200000000 ] - [ -0.0001373100000000, -0.0000992100000000, -0.0000701800000000 ] - [ -0.0003684500000000, 0.0000963500000000, -0.0002867300000000 ] - [ -0.0000163400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000461400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000385300000000, 0.0000778100000000, -0.0000950700000000 ] - [ -0.0000044200000000, -0.0001521300000000, -0.0001012100000000 ] - [ -0.0001249400000000, 0.0000496100000000, 0.0000122000000000 ] - [ -0.0001289400000000, -0.0000770300000000, -0.0000147500000000 ] - [ 0.0001216100000000, 0.0000509300000000, -0.0000167500000000 ] - [ 0.0001290800000000, -0.0000809900000000, 0.0000275600000000 ] - [ -0.0004186900000000, -0.0000290100000000, -0.0000381300000000 ] - [ 0.0001073600000000, 0.0000241300000000, 0.0001405700000000 ] - [ 0.0000378900000000, -0.0000155300000000, 0.0001082900000000 ] - [ 0.0023242700000000, -0.0004443200000000, 0.0023370000000000 ] - [ -0.0000048500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000235100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000666900000000, -0.0003065200000000, 0.0000956200000000 ] - [ -0.0000045000000000, 0.0001414600000000, -0.0000322200000000 ] - [ -0.0003395400000000, 0.0021601200000000, 0.0008570500000000 ] - [ 0.0015962500000000, -0.0010053600000000, 0.0011186600000000 ] - [ 0.0003744200000000, 0.0019399100000000, -0.0006175600000000 ] - [ 0.0012173600000000, -0.0014783900000000, -0.0012356400000000 ] - [ 0.0001752400000000, -0.0000851200000000, 0.0000552200000000 ] - [ 0.0006014900000000, 0.0001905200000000, 0.0004783400000000 ] - [ -0.0003684500000000, -0.0000963500000000, 0.0002867300000000 ] - [ -0.0001373100000000, 0.0000992100000000, 0.0000701800000000 ] - [ 0.0002822200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0064262500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000666900000000, 0.0003065200000000, -0.0000956200000000 ] - [ -0.0000045000000000, -0.0001414600000000, 0.0000322200000000 ] - [ 0.0019475900000000, 0.0045816700000000, 0.0001907700000000 ] - [ 0.0019475900000000, -0.0045816700000000, -0.0001907700000000 ] - [ -0.0000739600000000, -0.0000067100000000, -0.0003595900000000 ] - [ 0.0004449400000000, 0.0000262100000000, 0.0002815900000000 ] - [ 0.0008731200000000, 0.0000675800000000, -0.0002165600000000 ] - [ -0.0000357500000000, 0.0000741200000000, -0.0001176900000000 ] - [ 0.0168789600000000, -0.0001717100000000, -0.0124825100000000 ] - [ 0.0168789600000000, 0.0001717100000000, 0.0124825100000000 ] - [ 0.0000018400000000, 0.0000205900000000, 0.0000984000000000 ] - [ 0.0000018400000000, -0.0000205900000000, -0.0000984000000000 ] - [ 0.0004449400000000, -0.0000262100000000, -0.0002815900000000 ] - [ -0.0000739600000000, 0.0000067100000000, 0.0003595900000000 ] - [ -0.0000357500000000, -0.0000741200000000, 0.0001176900000000 ] - [ 0.0008731200000000, -0.0000675800000000, 0.0002165600000000 ] - [ -0.0000104700000000, -0.0000032000000000, -0.0000436800000000 ] - [ -0.0000104700000000, 0.0000032000000000, 0.0000436800000000 ] - [ -0.0000006000000000, -0.0000221300000000, 0.0001016500000000 ] - [ -0.0000006000000000, 0.0000221300000000, -0.0001016500000000 ] - [ 0.0000148900000000, 0.0000717000000000, 0.0000449800000000 ] - [ -0.0006644400000000, -0.0000907100000000, -0.0002542600000000 ] - [ 0.0000693500000000, 0.0000814000000000, 0.0000880700000000 ] - [ -0.0009580300000000, 0.0011488000000000, 0.0003649900000000 ] - [ -0.0000554800000000, -0.0000016300000000, -0.0001388700000000 ] - [ -0.0000554800000000, 0.0000016300000000, 0.0001388700000000 ] - [ -0.0009125400000000, 0.0014562400000000, 0.0000839200000000 ] - [ -0.0009125400000000, -0.0014562400000000, -0.0000839200000000 ] - [ -0.0006644400000000, 0.0000907100000000, 0.0002542600000000 ] - [ 0.0000148900000000, -0.0000717000000000, -0.0000449800000000 ] - [ -0.0009580300000000, -0.0011488000000000, -0.0003649900000000 ] - [ 0.0000693500000000, -0.0000814000000000, -0.0000880700000000 ] - [ -0.0005372600000000, 0.0000060800000000, -0.0008526200000000 ] - [ -0.0005372600000000, -0.0000060800000000, 0.0008526200000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018288100000000, -0.0008452200000000, 0.0011578400000000 ] - [ 0.0001073300000000, 0.0020153200000000, 0.0008109500000000 ] - [ -0.0009762700000000, -0.0013164500000000, -0.0012732300000000 ] - [ -0.0001264600000000, 0.0017947400000000, -0.0005699800000000 ] - [ 0.0001305500000000, -0.0001238100000000, 0.0000959200000000 ] - [ 0.0006577000000000, 0.0001205200000000, 0.0000090600000000 ] - [ -0.0025716200000000, -0.0005926800000000, 0.0023862400000000 ] - [ -0.0002758100000000, 0.0001326300000000, 0.0000650600000000 ] - [ 0.0525537100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007082300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001073000000000, 0.0000787100000000, -0.0000965800000000 ] - [ -0.0000642800000000, -0.0001531900000000, -0.0001023000000000 ] - [ -0.0001084700000000, 0.0000700300000000, 0.0000305000000000 ] - [ -0.0001122000000000, -0.0000980200000000, -0.0000327600000000 ] - [ 0.0001085800000000, 0.0000660700000000, -0.0000171900000000 ] - [ 0.0001163600000000, -0.0000965200000000, 0.0000277200000000 ] - [ -0.0003628900000000, 0.0000443000000000, 0.0004338300000000 ] - [ 0.0000628200000000, 0.0000623400000000, 0.0001014600000000 ] - [ -0.0001000700000000, -0.0000478800000000, 0.0001156100000000 ] - [ 0.0001307700000000, 0.0000506800000000, 0.0002443400000000 ] - [ -0.0000518800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000220300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001073000000000, -0.0000787100000000, 0.0000965800000000 ] - [ -0.0000642800000000, 0.0001531900000000, 0.0001023000000000 ] - [ -0.0001122000000000, 0.0000980200000000, 0.0000327600000000 ] - [ -0.0001084700000000, -0.0000700300000000, -0.0000305000000000 ] - [ 0.0001163600000000, 0.0000965200000000, -0.0000277200000000 ] - [ 0.0001085800000000, -0.0000660700000000, 0.0000171900000000 ] - [ 0.0006577000000000, -0.0001205200000000, -0.0000090600000000 ] - [ 0.0001305500000000, 0.0001238100000000, -0.0000959200000000 ] - [ -0.0002758100000000, -0.0001326300000000, -0.0000650600000000 ] - [ -0.0025716200000000, 0.0005926800000000, -0.0023862400000000 ] - [ -0.0000634200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000453600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000029000000000, 0.0003076300000000, -0.0000943200000000 ] - [ -0.0000647300000000, -0.0001426200000000, 0.0000330800000000 ] - [ 0.0001073300000000, -0.0020153200000000, -0.0008109500000000 ] - [ -0.0018288100000000, 0.0008452200000000, -0.0011578400000000 ] - [ -0.0001264600000000, -0.0017947400000000, 0.0005699800000000 ] - [ -0.0009762700000000, 0.0013164500000000, 0.0012732300000000 ] - [ 0.0000628200000000, -0.0000623400000000, -0.0001014600000000 ] - [ -0.0003628900000000, -0.0000443000000000, -0.0004338300000000 ] - [ 0.0001307700000000, -0.0000506800000000, -0.0002443400000000 ] - [ -0.0001000700000000, 0.0000478800000000, -0.0001156100000000 ] - [ -0.0003502100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0064293200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000029000000000, -0.0003076300000000, 0.0000943200000000 ] - [ -0.0000647300000000, 0.0001426200000000, -0.0000330800000000 ] - [ -0.0019120400000000, -0.0044942600000000, 0.0000144900000000 ] - [ -0.0019120400000000, 0.0044942600000000, -0.0000144900000000 ] - [ 0.0000730000000000, 0.0000080500000000, 0.0001520500000000 ] - [ -0.0004445600000000, -0.0000266700000000, -0.0000723100000000 ] - [ -0.0008690000000000, -0.0000701300000000, 0.0003720100000000 ] - [ 0.0000358000000000, -0.0000747500000000, -0.0000321300000000 ] - [ -0.0172650200000000, 0.0001702000000000, 0.0129003200000000 ] - [ -0.0172650200000000, -0.0001702000000000, -0.0129003200000000 ] - [ -0.0000015900000000, -0.0000210800000000, 0.0001106300000000 ] - [ -0.0000015900000000, 0.0000210800000000, -0.0001106300000000 ] - [ -0.0004445600000000, 0.0000266700000000, 0.0000723100000000 ] - [ 0.0000730000000000, -0.0000080500000000, -0.0001520500000000 ] - [ 0.0000358000000000, 0.0000747500000000, 0.0000321300000000 ] - [ -0.0008690000000000, 0.0000701300000000, -0.0003720100000000 ] - [ 0.0000111700000000, 0.0000036400000000, -0.0001075500000000 ] - [ 0.0000111700000000, -0.0000036400000000, 0.0001075500000000 ] - [ 0.0000008000000000, 0.0000228700000000, 0.0001085300000000 ] - [ 0.0000008000000000, -0.0000228700000000, -0.0001085300000000 ] - [ -0.0000142100000000, -0.0000706200000000, -0.0002564400000000 ] - [ 0.0006628600000000, 0.0000898600000000, 0.0004647600000000 ] - [ -0.0000684900000000, -0.0000820000000000, 0.0000633500000000 ] - [ 0.0009533000000000, -0.0011506200000000, -0.0005197400000000 ] - [ 0.0000552900000000, 0.0000013700000000, -0.0000116900000000 ] - [ 0.0000552900000000, -0.0000013700000000, 0.0000116900000000 ] - [ 0.0008994700000000, -0.0014552200000000, 0.0001250500000000 ] - [ 0.0008994700000000, 0.0014552200000000, -0.0001250500000000 ] - [ 0.0006628600000000, -0.0000898600000000, -0.0004647600000000 ] - [ -0.0000142100000000, 0.0000706200000000, 0.0002564400000000 ] - [ 0.0009533000000000, 0.0011506200000000, 0.0005197400000000 ] - [ -0.0000684900000000, 0.0000820000000000, -0.0000633500000000 ] - [ 0.0005415000000000, -0.0000041500000000, 0.0007099000000000 ] - [ 0.0005415000000000, 0.0000041500000000, -0.0007099000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021207300000000, 0.0025599700000000, -0.0017718100000000 ] - [ -0.0033601200000000, 0.0024258500000000, 0.0035203700000000 ] - [ 0.0019826100000000, 0.0030610500000000, 0.0021181500000000 ] - [ -0.0042946400000000, 0.0015775700000000, -0.0031925900000000 ] - [ 0.0001365600000000, -0.0002139000000000, -0.0000488900000000 ] - [ 0.0001158200000000, -0.0006997900000000, 0.0000265500000000 ] - [ -0.0001867800000000, -0.0000256500000000, -0.0001177600000000 ] - [ -0.0001245900000000, 0.0000745700000000, -0.0000632900000000 ] - [ -0.0001141500000000, -0.0788811300000000, -0.0006207300000000 ] - [ 0.0000451900000000, 0.0140661500000000, 0.0006940300000000 ] - [ -0.0000421100000000, -0.0000731200000000, 0.0003907800000000 ] - [ -0.0001770700000000, 0.0000266000000000, -0.0003928900000000 ] - [ -0.0000909400000000, 0.0000460400000000, -0.0000626400000000 ] - [ -0.0001150200000000, -0.0000322600000000, -0.0000282800000000 ] - [ 0.0001088600000000, 0.0000526400000000, -0.0000237800000000 ] - [ 0.0000849900000000, -0.0000594700000000, -0.0000545700000000 ] - [ -0.0000238700000000, 0.0009829100000000, -0.0003635800000000 ] - [ 0.0000736200000000, 0.0002267200000000, -0.0000453400000000 ] - [ -0.0000963400000000, -0.0000412400000000, -0.0000083200000000 ] - [ -0.0001997600000000, 0.0004771800000000, 0.0001732400000000 ] - [ -0.0000358100000000, 0.0000252100000000, -0.0000399600000000 ] - [ 0.0000358600000000, -0.0000679400000000, -0.0000309300000000 ] - [ 0.0001145700000000, -0.0000660500000000, 0.0003877600000000 ] - [ 0.0001068200000000, 0.0000205500000000, -0.0003968500000000 ] - [ -0.0001181700000000, 0.0001208500000000, 0.0000310400000000 ] - [ -0.0001427600000000, -0.0001088800000000, -0.0001215400000000 ] - [ 0.0001483700000000, 0.0000935400000000, -0.0001133600000000 ] - [ 0.0001244000000000, -0.0001019800000000, 0.0000344000000000 ] - [ 0.0001098300000000, -0.0008435400000000, 0.0000026900000000 ] - [ 0.0000980700000000, -0.0000624000000000, 0.0000160600000000 ] - [ -0.0001089700000000, -0.0000766300000000, 0.0000024200000000 ] - [ -0.0000109900000000, 0.0001138400000000, -0.0001337700000000 ] - [ -0.0000359400000000, -0.0000161900000000, -0.0000298800000000 ] - [ 0.0000360000000000, 0.0000582900000000, -0.0000380400000000 ] - [ -0.0002714500000000, 0.0002405200000000, -0.0005775200000000 ] - [ -0.0001893400000000, 0.0000268800000000, 0.0003061100000000 ] - [ 0.0030891400000000, 0.0025657500000000, 0.0035362800000000 ] - [ -0.0023206800000000, 0.0023996000000000, -0.0018066000000000 ] - [ 0.0044875700000000, 0.0017266200000000, -0.0032127400000000 ] - [ -0.0017232200000000, 0.0029006700000000, 0.0021493800000000 ] - [ 0.0001589800000000, 0.0000709400000000, -0.0001003000000000 ] - [ 0.0002618700000000, 0.0011360500000000, -0.0002930600000000 ] - [ -0.0000365100000000, 0.0003216500000000, 0.0002378200000000 ] - [ -0.0001365400000000, 0.0001140700000000, -0.0000629300000000 ] - [ -0.0000339600000000, 0.0017816500000000, 0.0000091000000000 ] - [ 0.0000678000000000, -0.0027447200000000, 0.0000592500000000 ] - [ 0.0003419900000000, 0.0002472800000000, -0.0005743700000000 ] - [ 0.0001168400000000, 0.0000200700000000, 0.0003084700000000 ] - [ 0.0038189200000000, 0.0167766000000000, -0.0007961000000000 ] - [ -0.0038209600000000, 0.0182193200000000, -0.0010339100000000 ] - [ 0.0001914900000000, -0.0003655300000000, -0.0000923300000000 ] - [ 0.0000619500000000, 0.0003021300000000, 0.0001239200000000 ] - [ -0.0005698800000000, 0.0003144400000000, -0.0021712800000000 ] - [ -0.0000234400000000, -0.0000669300000000, -0.0002162000000000 ] - [ -0.0000745000000000, 0.0076813100000000, -0.0000173800000000 ] - [ 0.0001189200000000, 0.0076931400000000, 0.0001167800000000 ] - [ -0.0000005500000000, 0.0000137300000000, 0.0001394000000000 ] - [ 0.0000001000000000, 0.0000115100000000, -0.0000520700000000 ] - [ -0.0000641800000000, 0.0003027900000000, -0.0000801800000000 ] - [ -0.0001944200000000, -0.0003667500000000, 0.0001079100000000 ] - [ 0.0000225900000000, -0.0000724100000000, -0.0000783200000000 ] - [ 0.0005697800000000, 0.0002961700000000, -0.0022959600000000 ] - [ 0.0000006700000000, -0.0000620600000000, 0.0000213600000000 ] - [ -0.0000006400000000, -0.0000626700000000, 0.0001549800000000 ] - [ 0.0000064700000000, -0.0000167200000000, 0.0001561400000000 ] - [ -0.0000058600000000, -0.0000148700000000, -0.0000358700000000 ] - [ 0.0002323400000000, -0.0004142300000000, -0.0000346200000000 ] - [ 0.0000984700000000, 0.0003795900000000, 0.0001438600000000 ] - [ -0.0000421100000000, 0.0000515700000000, 0.0003691900000000 ] - [ 0.0007934100000000, -0.0003998400000000, 0.0027773700000000 ] - [ 0.0000073800000000, 0.0000630900000000, -0.0000155100000000 ] - [ -0.0000067500000000, 0.0000634500000000, 0.0001255300000000 ] - [ 0.0007739600000000, 0.0004441800000000, 0.0001406800000000 ] - [ -0.0007787400000000, 0.0004051200000000, -0.0000496400000000 ] - [ -0.0000955800000000, 0.0003806300000000, -0.0000347400000000 ] - [ -0.0002303300000000, -0.0004137300000000, 0.0001490000000000 ] - [ -0.0007913800000000, -0.0004179400000000, 0.0028883400000000 ] - [ 0.0000435400000000, 0.0000480500000000, 0.0002307300000000 ] - [ -0.0003288100000000, -0.0031079700000000, -0.0002403900000000 ] - [ 0.0003113200000000, -0.0031115700000000, -0.0000782600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008026900000000, -0.0006199600000000, -0.0006898900000000 ] - [ -0.0022226300000000, 0.0031856500000000, -0.0006163300000000 ] - [ 0.0012795800000000, 0.0009940500000000, -0.0007702800000000 ] - [ 0.0022578800000000, -0.0027334100000000, -0.0004314000000000 ] - [ -0.0001716200000000, -0.0002720800000000, 0.0012667200000000 ] - [ 0.0008328600000000, 0.0008459000000000, 0.0038390200000000 ] - [ -0.0026852200000000, -0.0007141700000000, 0.0038628200000000 ] - [ 0.0001985700000000, 0.0002915100000000, 0.0014075500000000 ] - [ 0.0005555400000000, -0.0006216700000000, -0.0468744900000000 ] - [ 0.0000297700000000, -0.0006940900000000, -0.0001292100000000 ] - [ 0.0001314900000000, 0.0003906300000000, 0.0002597700000000 ] - [ -0.0000682400000000, -0.0003085900000000, 0.0002733200000000 ] - [ -0.0003061100000000, -0.0000393300000000, 0.0007186300000000 ] - [ 0.0000955700000000, -0.0001093200000000, 0.0006479800000000 ] - [ -0.0000890000000000, 0.0001917600000000, 0.0006665600000000 ] - [ 0.0003065800000000, -0.0000429000000000, 0.0006918200000000 ] - [ 0.0003278500000000, -0.0004008400000000, 0.0001521900000000 ] - [ 0.0003300700000000, 0.0000889600000000, 0.0005624500000000 ] - [ -0.0003019600000000, -0.0001007400000000, 0.0005224800000000 ] - [ -0.0003209200000000, 0.0002614500000000, -0.0002253600000000 ] - [ -0.0000351200000000, -0.0000400900000000, 0.0005167200000000 ] - [ 0.0000350600000000, 0.0000308300000000, 0.0008320000000000 ] - [ -0.0000605000000000, 0.0003883000000000, 0.0002627000000000 ] - [ -0.0000025300000000, -0.0003060100000000, 0.0002762900000000 ] - [ -0.0003281800000000, 0.0000437400000000, 0.0007004100000000 ] - [ 0.0000729200000000, -0.0001914600000000, 0.0006659300000000 ] - [ -0.0000733300000000, 0.0001098000000000, 0.0006399800000000 ] - [ 0.0003217000000000, 0.0000395600000000, 0.0007189600000000 ] - [ -0.0005944100000000, 0.0006882400000000, 0.0037366800000000 ] - [ 0.0004045500000000, -0.0001175100000000, 0.0013148800000000 ] - [ -0.0004306300000000, 0.0001370500000000, 0.0014539900000000 ] - [ 0.0024419300000000, -0.0005576600000000, 0.0037896600000000 ] - [ -0.0000351500000000, -0.0000300800000000, 0.0007853300000000 ] - [ 0.0000354500000000, 0.0000379000000000, 0.0005291400000000 ] - [ 0.0001301700000000, -0.0005742700000000, 0.0004678600000000 ] - [ 0.0000659700000000, 0.0003936500000000, 0.0002764800000000 ] - [ 0.0019797400000000, 0.0033213900000000, -0.0005523600000000 ] - [ 0.0005634200000000, -0.0007775400000000, -0.0007482500000000 ] - [ -0.0020267600000000, -0.0025942500000000, -0.0004932200000000 ] - [ -0.0010455300000000, 0.0008394100000000, -0.0007123000000000 ] - [ -0.0000965700000000, -0.0000636800000000, 0.0005075900000000 ] - [ -0.0000972900000000, -0.0002494400000000, 0.0002000200000000 ] - [ 0.0000894700000000, 0.0001084800000000, -0.0001787300000000 ] - [ 0.0000682200000000, 0.0000512600000000, 0.0004680200000000 ] - [ -0.0000365600000000, 0.0000092500000000, -0.0012194100000000 ] - [ 0.0000384000000000, -0.0000596200000000, -0.0031502600000000 ] - [ -0.0000598400000000, -0.0005773400000000, 0.0004656900000000 ] - [ -0.0001375500000000, 0.0003960000000000, 0.0002738800000000 ] - [ -0.0000492800000000, -0.0002400900000000, 0.0043193300000000 ] - [ 0.0000533300000000, -0.0003091500000000, 0.0041054300000000 ] - [ -0.0001480500000000, -0.0000142800000000, -0.0004685200000000 ] - [ 0.0000759400000000, 0.0000110900000000, -0.0018802200000000 ] - [ -0.0004357400000000, -0.0010874600000000, 0.0004099800000000 ] - [ 0.0000204300000000, -0.0003052100000000, -0.0010982300000000 ] - [ -0.0110640400000000, 0.0000898100000000, 0.0138011200000000 ] - [ 0.0104795200000000, 0.0000912100000000, 0.0135167000000000 ] - [ -0.0000081400000000, 0.0000070900000000, -0.0007256400000000 ] - [ 0.0000077600000000, 0.0000081700000000, -0.0009409000000000 ] - [ -0.0000774400000000, 0.0000121800000000, -0.0020914800000000 ] - [ 0.0001476300000000, -0.0000148700000000, -0.0002528100000000 ] - [ -0.0000199600000000, -0.0003032300000000, -0.0009647400000000 ] - [ 0.0004335100000000, -0.0010843300000000, 0.0002601300000000 ] - [ -0.0000171100000000, -0.0000066100000000, -0.0010896500000000 ] - [ 0.0000173700000000, -0.0000070000000000, -0.0009530000000000 ] - [ -0.0000044200000000, -0.0000028100000000, -0.0007312400000000 ] - [ 0.0000041200000000, -0.0000055000000000, -0.0009508300000000 ] - [ -0.0001609000000000, 0.0001202400000000, -0.0005350900000000 ] - [ 0.0003410400000000, -0.0000878000000000, -0.0015863700000000 ] - [ 0.0000748000000000, 0.0002673400000000, -0.0009694300000000 ] - [ -0.0005434700000000, 0.0011801600000000, -0.0005010600000000 ] - [ 0.0000686900000000, 0.0000021400000000, -0.0016906600000000 ] - [ -0.0000683300000000, 0.0000020800000000, -0.0015566600000000 ] - [ 0.0001337300000000, 0.0000000300000000, 0.0036116900000000 ] - [ -0.0001243800000000, 0.0000011800000000, 0.0033904800000000 ] - [ -0.0003443200000000, -0.0000875500000000, -0.0018113200000000 ] - [ 0.0001611000000000, 0.0001186800000000, -0.0003103200000000 ] - [ 0.0005462200000000, 0.0011886100000000, -0.0003571100000000 ] - [ -0.0000735800000000, 0.0002702700000000, -0.0011023500000000 ] - [ -0.0001595700000000, 0.0000696400000000, 0.0010338000000000 ] - [ 0.0001691000000000, 0.0000672400000000, 0.0011569300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004848700000000, 0.0013915600000000, -0.0000847900000000 ] - [ -0.0002783500000000, 0.0013611900000000, -0.0001806000000000 ] - [ -0.0000387400000000, 0.0015252400000000, 0.0001342700000000 ] - [ -0.0002618400000000, 0.0012293600000000, 0.0001329500000000 ] - [ 0.0000892700000000, -0.0001354800000000, 0.0000848500000000 ] - [ 0.0007215200000000, 0.0003931900000000, 0.0005256500000000 ] - [ -0.0017065600000000, 0.0002748600000000, 0.0010625300000000 ] - [ -0.0002424900000000, 0.0001361300000000, 0.0000828600000000 ] - [ 0.0018715200000000, 0.0037605100000000, -0.0000515500000000 ] - [ 0.0019876300000000, 0.0038801800000000, 0.0000528600000000 ] - [ -0.0000341700000000, 0.0001928000000000, -0.0001480600000000 ] - [ -0.0006992200000000, -0.0000976200000000, 0.0003430800000000 ] - [ -0.0001293300000000, 0.0000660600000000, 0.0000137800000000 ] - [ -0.0000932800000000, -0.0000831400000000, -0.0000169600000000 ] - [ 0.0001389400000000, 0.0000726000000000, -0.0000354300000000 ] - [ 0.0001027600000000, -0.0000894100000000, 0.0000385200000000 ] - [ -0.0006132800000000, 0.0005054500000000, 0.0006730400000000 ] - [ 0.0001197200000000, 0.0000605300000000, 0.0001138900000000 ] - [ 0.0000148600000000, -0.0000438200000000, 0.0001171900000000 ] - [ 0.0010624800000000, 0.0001636900000000, 0.0005666000000000 ] - [ -0.0000368900000000, -0.0000002900000000, -0.0000078600000000 ] - [ 0.0000397400000000, -0.0000003700000000, 0.0000077900000000 ] - [ 0.0004849300000000, -0.0000619500000000, -0.0000743000000000 ] - [ -0.0000224300000000, 0.0002314200000000, 0.0001605500000000 ] - [ -0.0001331400000000, 0.0000972000000000, 0.0000430600000000 ] - [ -0.0001068700000000, -0.0000630000000000, -0.0000103200000000 ] - [ 0.0001252400000000, 0.0000925100000000, -0.0000416300000000 ] - [ 0.0000980600000000, -0.0000583400000000, 0.0000087200000000 ] - [ 0.0012941400000000, -0.0000035100000000, -0.0006130400000000 ] - [ 0.0002469500000000, 0.0001115900000000, -0.0000650300000000 ] - [ -0.0001124400000000, -0.0000953800000000, -0.0000622700000000 ] - [ -0.0008475400000000, 0.0006618400000000, -0.0007315300000000 ] - [ -0.0000402200000000, 0.0000057900000000, -0.0000033600000000 ] - [ 0.0000368900000000, 0.0000062100000000, 0.0000033900000000 ] - [ 0.0000531500000000, 0.0002319900000000, -0.0001624100000000 ] - [ 0.0004018700000000, -0.0000631200000000, 0.0000797200000000 ] - [ 0.0125793500000000, 0.0022984400000000, 0.0103955600000000 ] - [ 0.0061606000000000, 0.0023504600000000, 0.0109485500000000 ] - [ 0.0058768600000000, 0.0024971400000000, -0.0104680400000000 ] - [ 0.0132654100000000, 0.0021411300000000, -0.0108156800000000 ] - [ -0.0000100600000000, -0.0000210100000000, -0.0001351000000000 ] - [ -0.0014717900000000, 0.0004315200000000, -0.0010116800000000 ] - [ 0.0004909200000000, 0.0002426300000000, -0.0004754600000000 ] - [ -0.0001434500000000, 0.0000207200000000, -0.0001375200000000 ] - [ -0.0009391200000000, 0.0007822700000000, 0.0001298100000000 ] - [ -0.0008736500000000, 0.0007707100000000, -0.0001274600000000 ] - [ -0.0006290500000000, -0.0000961200000000, -0.0003426800000000 ] - [ -0.0001116200000000, 0.0001928300000000, 0.0001482200000000 ] - [ -0.0746921000000000, 0.0066850000000000, 0.0000476300000000 ] - [ 0.0000769300000000, -0.0022760300000000, -0.0000981100000000 ] - [ 0.0001693400000000, 0.0003312800000000, 0.0002804600000000 ] - [ -0.0000678100000000, -0.0003009400000000, -0.0000329500000000 ] - [ -0.0001122500000000, -0.0003539000000000, 0.0000686800000000 ] - [ 0.0001807300000000, -0.0000885600000000, -0.0000697000000000 ] - [ 0.0013522200000000, -0.0087458600000000, -0.0019035100000000 ] - [ 0.0018233600000000, -0.0076635900000000, 0.0016569500000000 ] - [ -0.0000060200000000, -0.0000197000000000, 0.0000981900000000 ] - [ -0.0000277200000000, 0.0000263700000000, -0.0000992400000000 ] - [ -0.0000351600000000, -0.0002377000000000, 0.0000136000000000 ] - [ -0.0000700800000000, 0.0002550100000000, -0.0002455600000000 ] - [ -0.0001748500000000, 0.0000428100000000, 0.0000708400000000 ] - [ -0.0094220700000000, 0.0008729700000000, -0.0000772000000000 ] - [ -0.0000065600000000, -0.0000048300000000, -0.0001054900000000 ] - [ 0.0000075000000000, -0.0000040200000000, 0.0001188300000000 ] - [ 0.0000126500000000, 0.0000185900000000, 0.0000981600000000 ] - [ 0.0000103200000000, -0.0000241000000000, -0.0000985800000000 ] - [ -0.0000308100000000, -0.0002393900000000, -0.0002089300000000 ] - [ -0.0000653900000000, 0.0002582700000000, 0.0004425600000000 ] - [ -0.0001561200000000, -0.0000659800000000, 0.0000722400000000 ] - [ 0.0002563500000000, -0.0005729500000000, -0.0000689500000000 ] - [ -0.0000058600000000, -0.0000082000000000, -0.0000357800000000 ] - [ 0.0000055900000000, -0.0000040900000000, 0.0000211900000000 ] - [ 0.0005719400000000, -0.0006919400000000, 0.0000979200000000 ] - [ 0.0287921500000000, 0.0007156200000000, -0.0001347900000000 ] - [ 0.0001697700000000, 0.0003290300000000, -0.0004752800000000 ] - [ -0.0000670900000000, -0.0002996800000000, 0.0002291300000000 ] - [ 0.0108149400000000, 0.0012327600000000, 0.0000950000000000 ] - [ 0.0003449000000000, 0.0000761400000000, -0.0000723000000000 ] - [ 0.0013337800000000, -0.0088051000000000, 0.0017625100000000 ] - [ 0.0018150000000000, -0.0077045200000000, -0.0015121800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008602200000000, -0.0024171100000000, -0.0005446800000000 ] - [ 0.0004675800000000, -0.0032443300000000, -0.0005569200000000 ] - [ 0.0007022300000000, -0.0031065000000000, 0.0005064300000000 ] - [ 0.0011081100000000, -0.0025573400000000, 0.0005969800000000 ] - [ 0.0001579600000000, 0.0000435000000000, -0.0003014300000000 ] - [ -0.0002766300000000, -0.0002833200000000, -0.0012042500000000 ] - [ 0.0010803800000000, 0.0000207000000000, -0.0011368400000000 ] - [ -0.0001236900000000, -0.0000606800000000, -0.0003675800000000 ] - [ 0.0045040800000000, 0.0182263800000000, -0.0003002600000000 ] - [ 0.0045705200000000, 0.0167723500000000, 0.0002500400000000 ] - [ 0.0000263500000000, -0.0003656100000000, -0.0000149000000000 ] - [ 0.0000600300000000, 0.0003795700000000, 0.0000908300000000 ] - [ -0.0001218200000000, 0.0001246500000000, 0.0000115500000000 ] - [ -0.0001186700000000, -0.0000338900000000, -0.0000301400000000 ] - [ 0.0001202000000000, 0.0001116000000000, -0.0000156300000000 ] - [ 0.0001174500000000, -0.0000205100000000, 0.0000355300000000 ] - [ 0.0011361300000000, -0.0007750800000000, -0.0010311900000000 ] - [ 0.0001098600000000, 0.0001103500000000, -0.0002739700000000 ] - [ -0.0000909000000000, -0.0001165400000000, -0.0002217700000000 ] - [ -0.0005012500000000, 0.0006489500000000, -0.0011602400000000 ] - [ -0.0000107400000000, 0.0000129700000000, 0.0000074300000000 ] - [ 0.0000519000000000, 0.0000136600000000, -0.0000068800000000 ] - [ 0.0000047000000000, 0.0003021100000000, 0.0000083900000000 ] - [ 0.0000399400000000, -0.0004125600000000, -0.0001177300000000 ] - [ -0.0001177000000000, 0.0000180200000000, 0.0000260500000000 ] - [ -0.0001263300000000, -0.0001127000000000, -0.0000087100000000 ] - [ 0.0001125600000000, 0.0000318300000000, -0.0000355100000000 ] - [ 0.0001202900000000, -0.0001264300000000, 0.0000194600000000 ] - [ -0.0002633700000000, 0.0005136800000000, 0.0011225800000000 ] - [ 0.0001482100000000, 0.0000292600000000, 0.0002686600000000 ] - [ -0.0001293200000000, -0.0000329200000000, 0.0003216900000000 ] - [ 0.0009078400000000, -0.0006312500000000, 0.0009998300000000 ] - [ -0.0000532700000000, -0.0000155000000000, -0.0000042000000000 ] - [ 0.0000099200000000, -0.0000156200000000, 0.0000048300000000 ] - [ 0.0001043800000000, -0.0004135200000000, 0.0001201700000000 ] - [ -0.0000561200000000, 0.0003016800000000, -0.0000149400000000 ] - [ 0.0012746000000000, 0.0034005600000000, 0.0014392000000000 ] - [ 0.0023448400000000, 0.0021915300000000, 0.0014680300000000 ] - [ 0.0026805800000000, 0.0023774000000000, -0.0016017600000000 ] - [ 0.0014054800000000, 0.0032234900000000, -0.0012862100000000 ] - [ 0.0001152600000000, -0.0002064500000000, 0.0003209400000000 ] - [ 0.0013080400000000, 0.0001558800000000, 0.0011761100000000 ] - [ -0.0005147800000000, -0.0004286700000000, 0.0012354600000000 ] - [ -0.0000810900000000, 0.0001871100000000, 0.0002552500000000 ] - [ 0.0014173000000000, 0.0004129300000000, 0.0000001700000000 ] - [ 0.0014956600000000, 0.0004376300000000, -0.0000016700000000 ] - [ 0.0001214900000000, 0.0003802800000000, -0.0000828400000000 ] - [ -0.0000382800000000, -0.0003653600000000, 0.0000136400000000 ] - [ 0.0066850300000000, -0.0651553100000000, 0.0001314600000000 ] - [ 0.0022753900000000, 0.0210950200000000, -0.0001133200000000 ] - [ 0.0003282000000000, -0.0000019700000000, -0.0006567700000000 ] - [ -0.0002599200000000, -0.0000728400000000, 0.0006385200000000 ] - [ 0.0005683700000000, 0.0011258300000000, 0.0000820600000000 ] - [ -0.0000218500000000, 0.0002928600000000, -0.0000784500000000 ] - [ -0.0089607800000000, 0.0029061500000000, 0.0094627500000000 ] - [ -0.0080603900000000, 0.0017800500000000, -0.0089966000000000 ] - [ -0.0000203600000000, 0.0000782800000000, 0.0001074900000000 ] - [ -0.0000267200000000, -0.0001003400000000, -0.0001077900000000 ] - [ -0.0002386900000000, 0.0000893600000000, -0.0005466000000000 ] - [ 0.0003008600000000, -0.0000682700000000, 0.0005783600000000 ] - [ -0.0000056800000000, -0.0001896100000000, 0.0000803400000000 ] - [ 0.0007394000000000, -0.0012911000000000, -0.0000523600000000 ] - [ 0.0000256100000000, 0.0000026200000000, 0.0000636500000000 ] - [ 0.0000302300000000, 0.0000073200000000, -0.0000957800000000 ] - [ 0.0000185200000000, -0.0000614700000000, 0.0001081400000000 ] - [ 0.0000247600000000, 0.0000838200000000, -0.0001085600000000 ] - [ -0.0002384300000000, 0.0000933500000000, 0.0003261400000000 ] - [ 0.0003006600000000, -0.0000731500000000, -0.0003654400000000 ] - [ 0.0000925800000000, 0.0001640100000000, 0.0000773500000000 ] - [ -0.0005739900000000, 0.0009821800000000, -0.0000824500000000 ] - [ 0.0000252200000000, 0.0000026300000000, -0.0002226300000000 ] - [ 0.0000311000000000, 0.0000067400000000, 0.0002540600000000 ] - [ -0.0006915400000000, 0.0018170200000000, 0.0001076200000000 ] - [ -0.0007160600000000, -0.0022017800000000, -0.0001025200000000 ] - [ 0.0003323100000000, -0.0000061600000000, 0.0004417100000000 ] - [ -0.0002551400000000, -0.0000683800000000, -0.0004203200000000 ] - [ -0.0009701900000000, -0.0003618300000000, 0.0000520000000000 ] - [ 0.0000532700000000, -0.0002244900000000, -0.0000813900000000 ] - [ -0.0088703200000000, 0.0028979100000000, -0.0095282000000000 ] - [ -0.0079815800000000, 0.0017654000000000, 0.0090685300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000045600000000, -0.0012329200000000, 0.0014141400000000 ] - [ 0.0003126000000000, -0.0013267500000000, 0.0015172400000000 ] - [ -0.0003126000000000, 0.0013267500000000, 0.0015172400000000 ] - [ 0.0000045600000000, 0.0012329200000000, 0.0014141400000000 ] - [ 0.0004143800000000, -0.0001049400000000, -0.0009635600000000 ] - [ 0.0001248400000000, -0.0004916100000000, 0.0000364100000000 ] - [ -0.0001116000000000, -0.0017254800000000, -0.0011981300000000 ] - [ -0.0004128000000000, -0.0001047400000000, -0.0010333900000000 ] - [ 0.0000499900000000, -0.0009793900000000, 0.0042152000000000 ] - [ -0.0000499900000000, 0.0009793900000000, 0.0042152000000000 ] - [ -0.0002243200000000, 0.0000078000000000, -0.0003584800000000 ] - [ -0.0003886300000000, -0.0000553300000000, -0.0016981500000000 ] - [ 0.0002430700000000, 0.0001315800000000, -0.0012574300000000 ] - [ -0.0004959500000000, -0.0000297700000000, -0.0013476600000000 ] - [ 0.0004959500000000, 0.0000297700000000, -0.0013476600000000 ] - [ -0.0002430700000000, -0.0001315800000000, -0.0012574300000000 ] - [ 0.0002464600000000, -0.0007620400000000, -0.0004877400000000 ] - [ -0.0001815600000000, 0.0000112500000000, -0.0009127700000000 ] - [ 0.0001546600000000, -0.0002403300000000, -0.0009105900000000 ] - [ -0.0000783600000000, -0.0009592400000000, -0.0005428100000000 ] - [ -0.0000363500000000, 0.0000438800000000, -0.0008329700000000 ] - [ 0.0000363500000000, -0.0000438800000000, -0.0008329700000000 ] - [ -0.0001472800000000, 0.0000216200000000, -0.0019782800000000 ] - [ -0.0001792700000000, -0.0000578400000000, -0.0004221600000000 ] - [ 0.0001733100000000, 0.0001802900000000, -0.0009642500000000 ] - [ -0.0003936300000000, 0.0000343300000000, -0.0010045700000000 ] - [ 0.0003936300000000, -0.0000343300000000, -0.0010045700000000 ] - [ -0.0001733100000000, -0.0001802900000000, -0.0009642500000000 ] - [ 0.0000783600000000, 0.0009592400000000, -0.0005428100000000 ] - [ -0.0001546600000000, 0.0002403300000000, -0.0009105900000000 ] - [ 0.0001815600000000, -0.0000112500000000, -0.0009127700000000 ] - [ -0.0002464600000000, 0.0007620400000000, -0.0004877400000000 ] - [ -0.0000328100000000, 0.0000600200000000, -0.0008409200000000 ] - [ 0.0000328100000000, -0.0000600200000000, -0.0008409200000000 ] - [ 0.0001792700000000, 0.0000578400000000, -0.0004221600000000 ] - [ 0.0001472800000000, -0.0000216200000000, -0.0019782800000000 ] - [ 0.0092876100000000, 0.0027772700000000, 0.0186427500000000 ] - [ 0.0102813700000000, 0.0024576700000000, 0.0162566700000000 ] - [ -0.0102813700000000, -0.0024576700000000, 0.0162566700000000 ] - [ -0.0092876100000000, -0.0027772700000000, 0.0186427500000000 ] - [ 0.0004128000000000, 0.0001047400000000, -0.0010333900000000 ] - [ 0.0001116000000000, 0.0017254800000000, -0.0011981300000000 ] - [ -0.0001248400000000, 0.0004916100000000, 0.0000364100000000 ] - [ -0.0004143800000000, 0.0001049400000000, -0.0009635600000000 ] - [ -0.0000483700000000, 0.0000593500000000, 0.0034998700000000 ] - [ 0.0000483700000000, -0.0000593500000000, 0.0034998700000000 ] - [ 0.0003886300000000, 0.0000553300000000, -0.0016981500000000 ] - [ 0.0002243200000000, -0.0000078000000000, -0.0003584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0749524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011809400000000 ] - [ 0.0003758900000000, -0.0005477500000000, 0.0011485800000000 ] - [ 0.0003426600000000, 0.0004717100000000, 0.0012573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014550700000000 ] - [ -0.0013492400000000, 0.0093536100000000, -0.0017378600000000 ] - [ 0.0016444700000000, -0.0087124000000000, -0.0011163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013647300000000 ] - [ 0.0001090400000000, -0.0004339400000000, 0.0009494500000000 ] - [ 0.0001292500000000, 0.0005268400000000, 0.0012577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126870400000000 ] - [ 0.0000196200000000, 0.0000747100000000, 0.0016171300000000 ] - [ -0.0000097100000000, -0.0000426200000000, 0.0017882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015332000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010989900000000 ] - [ -0.0001090400000000, 0.0004339400000000, 0.0009494500000000 ] - [ -0.0001292500000000, -0.0005268400000000, 0.0012577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009222500000000 ] - [ -0.0000196200000000, -0.0000747100000000, 0.0016171300000000 ] - [ 0.0000097100000000, 0.0000426200000000, 0.0017882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0218310600000000 ] - [ -0.0003758900000000, 0.0005477500000000, 0.0011485800000000 ] - [ -0.0003426600000000, -0.0004717100000000, 0.0012573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021482500000000 ] - [ 0.0013492400000000, -0.0093536100000000, -0.0017378600000000 ] - [ -0.0016444700000000, 0.0087124000000000, -0.0011163300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002298700000000, 0.0013784600000000, -0.0013775800000000 ] - [ -0.0005619500000000, 0.0011868400000000, -0.0015533500000000 ] - [ 0.0005619500000000, -0.0011868400000000, -0.0015533500000000 ] - [ 0.0002298700000000, -0.0013784600000000, -0.0013775800000000 ] - [ -0.0001724800000000, -0.0000334800000000, 0.0009224900000000 ] - [ 0.0001188100000000, 0.0006229500000000, 0.0000022900000000 ] - [ -0.0001349800000000, 0.0015875700000000, 0.0012440900000000 ] - [ 0.0001704600000000, 0.0002438900000000, 0.0009923800000000 ] - [ -0.0001239900000000, 0.0008495500000000, -0.0042100600000000 ] - [ 0.0001239900000000, -0.0008495500000000, -0.0042100600000000 ] - [ 0.0002822300000000, -0.0000084800000000, 0.0003590100000000 ] - [ 0.0003362600000000, 0.0000541000000000, 0.0017014800000000 ] - [ -0.0004862600000000, 0.0000064100000000, 0.0013013300000000 ] - [ 0.0002548800000000, -0.0001088300000000, 0.0013087300000000 ] - [ -0.0002548800000000, 0.0001088300000000, 0.0013087300000000 ] - [ 0.0004862600000000, -0.0000064100000000, 0.0013013300000000 ] - [ -0.0000007600000000, 0.0006244600000000, 0.0004396600000000 ] - [ 0.0004239800000000, 0.0001285000000000, 0.0009549800000000 ] - [ -0.0003963200000000, 0.0001016700000000, 0.0009525900000000 ] - [ -0.0001632700000000, 0.0011037200000000, 0.0005009600000000 ] - [ -0.0000210300000000, -0.0000435100000000, 0.0008338300000000 ] - [ 0.0000210300000000, 0.0000435100000000, 0.0008338300000000 ] - [ 0.0002066700000000, -0.0000215700000000, 0.0019933100000000 ] - [ 0.0001235900000000, 0.0000572800000000, 0.0004202000000000 ] - [ -0.0004161200000000, -0.0000416500000000, 0.0010075500000000 ] - [ 0.0001518000000000, -0.0001737500000000, 0.0009630800000000 ] - [ -0.0001518000000000, 0.0001737500000000, 0.0009630800000000 ] - [ 0.0004161200000000, 0.0000416500000000, 0.0010075500000000 ] - [ 0.0001632700000000, -0.0011037200000000, 0.0005009600000000 ] - [ 0.0003963200000000, -0.0001016700000000, 0.0009525900000000 ] - [ -0.0004239800000000, -0.0001285000000000, 0.0009549800000000 ] - [ 0.0000007600000000, -0.0006244600000000, 0.0004396600000000 ] - [ -0.0000249300000000, -0.0000601700000000, 0.0008418000000000 ] - [ 0.0000249300000000, 0.0000601700000000, 0.0008418000000000 ] - [ -0.0001235900000000, -0.0000572800000000, 0.0004202000000000 ] - [ -0.0002066700000000, 0.0000215700000000, 0.0019933100000000 ] - [ -0.0100616700000000, -0.0026326700000000, -0.0190514500000000 ] - [ -0.0099866200000000, -0.0026051800000000, -0.0159274300000000 ] - [ 0.0099866200000000, 0.0026051800000000, -0.0159274300000000 ] - [ 0.0100616700000000, 0.0026326700000000, -0.0190514500000000 ] - [ -0.0001704600000000, -0.0002438900000000, 0.0009923800000000 ] - [ 0.0001349800000000, -0.0015875700000000, 0.0012440900000000 ] - [ -0.0001188100000000, -0.0006229500000000, 0.0000022900000000 ] - [ 0.0001724800000000, 0.0000334800000000, 0.0009224900000000 ] - [ -0.0000044300000000, -0.0000336200000000, -0.0035034400000000 ] - [ 0.0000044300000000, 0.0000336200000000, -0.0035034400000000 ] - [ -0.0003362600000000, -0.0000541000000000, 0.0017014800000000 ] - [ -0.0002822300000000, 0.0000084800000000, 0.0003590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0754724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009789400000000 ] - [ -0.0003793900000000, 0.0005499400000000, -0.0013526500000000 ] - [ -0.0003463200000000, -0.0004729100000000, -0.0010534200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016068600000000 ] - [ 0.0013444800000000, -0.0093189300000000, 0.0015706400000000 ] - [ -0.0016510600000000, 0.0087580700000000, 0.0012787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015705800000000 ] - [ -0.0001125000000000, 0.0004381900000000, -0.0011522300000000 ] - [ -0.0001331300000000, -0.0005317400000000, -0.0010524700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130542300000000 ] - [ -0.0000198700000000, -0.0000757800000000, -0.0017709100000000 ] - [ 0.0000097700000000, 0.0000422000000000, -0.0016379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013310700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013028100000000 ] - [ 0.0001125000000000, -0.0004381900000000, -0.0011522300000000 ] - [ 0.0001331300000000, 0.0005317400000000, -0.0010524700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014227500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789200000000 ] - [ 0.0000198700000000, 0.0000757800000000, -0.0017709100000000 ] - [ -0.0000097700000000, -0.0000422000000000, -0.0016379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022787200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0216523900000000 ] - [ 0.0003793900000000, -0.0005499400000000, -0.0013526500000000 ] - [ 0.0003463200000000, 0.0004729100000000, -0.0010534200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023025900000000 ] - [ -0.0013444800000000, 0.0093189300000000, 0.0015706400000000 ] - [ 0.0016510600000000, -0.0087580700000000, 0.0012787300000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004993100000000, 0.0000047700000000, 0.0004228900000000 ] - [ 0.0121635700000000, -0.0019627100000000, 0.0078222400000000 ] - [ 0.0128254100000000, -0.0018182000000000, -0.0083915200000000 ] - [ -0.0002518600000000, -0.0001424000000000, -0.0003832900000000 ] - [ -0.0011792500000000, 0.0000150300000000, 0.0000909400000000 ] - [ 0.0046619900000000, -0.0006845000000000, 0.0017352900000000 ] - [ -0.0012681000000000, -0.0003986900000000, 0.0005160100000000 ] - [ 0.0015619900000000, 0.0002879500000000, 0.0001620700000000 ] - [ 0.0008412100000000, -0.0005638700000000, -0.0004319100000000 ] - [ 0.0009015300000000, -0.0005758200000000, 0.0004364200000000 ] - [ 0.0168931400000000, -0.0001015800000000, -0.0104956100000000 ] - [ -0.0005692100000000, -0.0003193600000000, 0.0001624200000000 ] - [ -0.0001745900000000, 0.0000124700000000, 0.0002328100000000 ] - [ -0.0001191900000000, -0.0000838600000000, -0.0000099200000000 ] - [ 0.0001195100000000, 0.0000614900000000, -0.0000389200000000 ] - [ 0.0000646000000000, -0.0001326700000000, -0.0001854900000000 ] - [ 0.0001313900000000, -0.0000575900000000, -0.0000121900000000 ] - [ 0.0001384800000000, 0.0000707400000000, 0.0000304300000000 ] - [ -0.0001417000000000, -0.0000698200000000, 0.0000282400000000 ] - [ -0.0001656800000000, 0.0000762500000000, -0.0000314300000000 ] - [ -0.0000657100000000, 0.0000233600000000, -0.0000206100000000 ] - [ -0.0000060300000000, 0.0000226700000000, 0.0000201700000000 ] - [ 0.0000193500000000, 0.0000009300000000, -0.0000172400000000 ] - [ -0.0000853800000000, 0.0000066100000000, -0.0000696500000000 ] - [ 0.0002034100000000, 0.0001383500000000, 0.0000674600000000 ] - [ -0.0001359000000000, -0.0000630800000000, -0.0000730100000000 ] - [ 0.0001024600000000, 0.0000823000000000, 0.0000262500000000 ] - [ 0.0004364800000000, -0.0000068600000000, -0.0000214800000000 ] - [ 0.0000726400000000, -0.0000698900000000, -0.0000154700000000 ] - [ 0.0000967800000000, 0.0000757000000000, 0.0000189200000000 ] - [ -0.0001001400000000, -0.0000748300000000, 0.0000169100000000 ] - [ -0.0001067700000000, 0.0000872700000000, -0.0000341800000000 ] - [ 0.0000383800000000, -0.0000432100000000, 0.0000735000000000 ] - [ 0.0000989400000000, -0.0000429600000000, -0.0000743300000000 ] - [ -0.0000249300000000, 0.0000069200000000, 0.0000677200000000 ] - [ -0.0000412000000000, 0.0000007600000000, 0.0000177600000000 ] - [ -0.0002185600000000, -0.0000058400000000, 0.0002200000000000 ] - [ -0.0003904400000000, -0.0010123100000000, 0.0001358300000000 ] - [ -0.0001545900000000, -0.0008638000000000, -0.0001807200000000 ] - [ 0.0000195400000000, -0.0001514000000000, -0.0001721300000000 ] - [ 0.0018025000000000, 0.0001280400000000, -0.0002130700000000 ] - [ -0.0010215300000000, -0.0002601300000000, -0.0004685600000000 ] - [ 0.0044346000000000, -0.0009870200000000, -0.0016859100000000 ] - [ -0.0014162600000000, 0.0001626800000000, -0.0001360700000000 ] - [ -0.0009842500000000, -0.0007913600000000, 0.0005456100000000 ] - [ -0.0009257400000000, -0.0007936000000000, -0.0005444900000000 ] - [ -0.0005107000000000, -0.0003205100000000, -0.0001656300000000 ] - [ 0.0172531500000000, -0.0000927100000000, 0.0110462500000000 ] - [ -0.0001129700000000, 0.0005689300000000, 0.0001115400000000 ] - [ -0.0094237000000000, -0.0007398300000000, -0.0001042200000000 ] - [ 0.0013484800000000, -0.0088895000000000, -0.0014514600000000 ] - [ 0.0018217100000000, 0.0079990000000000, -0.0015333900000000 ] - [ -0.0680371500000000, -0.0036846000000000, 0.0000302500000000 ] - [ -0.0090087200000000, 0.0000067400000000, -0.0000695000000000 ] - [ 0.0014811800000000, 0.0084338800000000, 0.0010183300000000 ] - [ -0.0000114500000000, 0.0002199600000000, 0.0001060400000000 ] - [ -0.0001757600000000, -0.0000057900000000, 0.0001069200000000 ] - [ 0.0001801600000000, 0.0000223400000000, -0.0001069100000000 ] - [ -0.0000071700000000, 0.0000266300000000, -0.0000910100000000 ] - [ 0.0000061500000000, -0.0000310200000000, 0.0001176400000000 ] - [ -0.0000141800000000, 0.0000023600000000, 0.0000683000000000 ] - [ 0.0002117400000000, -0.0000419900000000, -0.0000684500000000 ] - [ 0.0000147700000000, -0.0000088700000000, -0.0000563700000000 ] - [ -0.0000116800000000, -0.0001746500000000, 0.0003109100000000 ] - [ -0.0001581900000000, 0.0000947000000000, 0.0001104300000000 ] - [ 0.0003474600000000, -0.0000534500000000, -0.0001094300000000 ] - [ -0.0000061200000000, 0.0000266500000000, -0.0001310500000000 ] - [ 0.0000072200000000, -0.0000306800000000, 0.0001004000000000 ] - [ 0.0001156900000000, -0.0000035800000000, 0.0000676600000000 ] - [ 0.0005299000000000, -0.0000175400000000, -0.0000648500000000 ] - [ 0.0000147600000000, -0.0000086200000000, -0.0000777000000000 ] - [ -0.0000084800000000, -0.0001739100000000, -0.0001733300000000 ] - [ 0.0108143500000000, -0.0009693200000000, 0.0001042500000000 ] - [ 0.0002540600000000, 0.0005726700000000, -0.0001094500000000 ] - [ 0.0013387800000000, -0.0089422100000000, 0.0012440200000000 ] - [ 0.0018128800000000, 0.0080428100000000, 0.0017620100000000 ] - [ 0.0003914600000000, 0.0002014700000000, 0.0000662200000000 ] - [ 0.0005039000000000, 0.0000937800000000, -0.0000671800000000 ] - [ 0.0014658700000000, 0.0084728400000000, -0.0011610900000000 ] - [ -0.0000090100000000, 0.0002171000000000, 0.0000271400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002010500000000, 0.0003004900000000, -0.0000243700000000 ] - [ -0.0014277600000000, 0.0025648200000000, -0.0022563600000000 ] - [ -0.0012825000000000, 0.0027454900000000, 0.0022856200000000 ] - [ 0.0000286500000000, 0.0001417900000000, 0.0000641300000000 ] - [ -0.0001985300000000, -0.0012928700000000, 0.0018620700000000 ] - [ -0.0015646500000000, 0.0285261400000000, 0.0021001800000000 ] - [ -0.0008743100000000, -0.0006821600000000, 0.0003187800000000 ] - [ 0.0003198700000000, 0.0012045600000000, 0.0017258800000000 ] - [ 0.0000341400000000, 0.0002985600000000, -0.0010812800000000 ] - [ 0.0001041700000000, 0.0003107400000000, 0.0010915700000000 ] - [ -0.0000804600000000, 0.0076810300000000, 0.0000376800000000 ] - [ -0.0000296400000000, -0.0031116400000000, -0.0000691900000000 ] - [ -0.0001176200000000, -0.0002650000000000, 0.0001150300000000 ] - [ -0.0001224500000000, -0.0001345500000000, -0.0000221600000000 ] - [ 0.0001106100000000, 0.0000196800000000, -0.0000349900000000 ] - [ 0.0001138600000000, -0.0004185000000000, -0.0000643800000000 ] - [ 0.0000559900000000, 0.0000098100000000, 0.0001411300000000 ] - [ 0.0001137300000000, 0.0000572600000000, 0.0000264900000000 ] - [ -0.0001171200000000, -0.0000600600000000, 0.0000267500000000 ] - [ -0.0001009200000000, 0.0000052300000000, 0.0001086200000000 ] - [ -0.0001097300000000, -0.0000679900000000, -0.0003062900000000 ] - [ -0.0000384100000000, -0.0000697300000000, 0.0003026500000000 ] - [ 0.0000329300000000, -0.0000624600000000, -0.0000072400000000 ] - [ -0.0000377700000000, 0.0000641800000000, -0.0000041300000000 ] - [ -0.0000951200000000, 0.0003264100000000, -0.0000379500000000 ] - [ -0.0001033500000000, -0.0000261200000000, -0.0000367400000000 ] - [ 0.0001299300000000, 0.0001284000000000, -0.0000175900000000 ] - [ 0.0001391800000000, 0.0001692400000000, 0.0000965500000000 ] - [ 0.0001321700000000, -0.0001503700000000, -0.0001632300000000 ] - [ 0.0001148700000000, 0.0000946500000000, 0.0000252200000000 ] - [ -0.0001183900000000, -0.0000978800000000, 0.0000256000000000 ] - [ -0.0001771900000000, 0.0001626100000000, -0.0001961100000000 ] - [ 0.0000456200000000, 0.0000484500000000, 0.0002662100000000 ] - [ 0.0001173200000000, 0.0000503200000000, -0.0002693800000000 ] - [ 0.0000335100000000, 0.0000642600000000, 0.0000007400000000 ] - [ -0.0000395500000000, -0.0000629000000000, 0.0000065400000000 ] - [ -0.0002438700000000, -0.0001510600000000, 0.0001001400000000 ] - [ -0.0008050500000000, -0.0016387200000000, 0.0006856400000000 ] - [ -0.0005726700000000, -0.0014864500000000, -0.0007326200000000 ] - [ -0.0000113100000000, -0.0003039500000000, -0.0000449500000000 ] - [ 0.0005563800000000, 0.0010607400000000, -0.0017964400000000 ] - [ -0.0006491900000000, -0.0005261000000000, -0.0002646000000000 ] - [ -0.0017604300000000, 0.0299783900000000, -0.0020032400000000 ] - [ -0.0004334800000000, -0.0011457800000000, -0.0019339300000000 ] - [ -0.0011917400000000, -0.0004031800000000, 0.0011887100000000 ] - [ -0.0011084900000000, -0.0004137500000000, -0.0011798900000000 ] - [ 0.0000400000000000, -0.0031073300000000, 0.0000673100000000 ] - [ -0.0002605600000000, 0.0076965300000000, -0.0001434100000000 ] - [ -0.0003553000000000, 0.0011260800000000, 0.0001045000000000 ] - [ -0.0008717200000000, -0.0012914100000000, -0.0000825800000000 ] - [ -0.0088178800000000, 0.0029220100000000, 0.0092699200000000 ] - [ 0.0076494600000000, 0.0017633000000000, -0.0085926100000000 ] - [ -0.0036856200000000, -0.0882998100000000, -0.0000058000000000 ] - [ -0.0000067300000000, -0.0012524200000000, -0.0000991600000000 ] - [ 0.0084121500000000, 0.0037885500000000, 0.0098854200000000 ] - [ 0.0001725400000000, -0.0000300700000000, 0.0006216700000000 ] - [ 0.0000410600000000, -0.0001881900000000, 0.0001055300000000 ] - [ 0.0000878100000000, 0.0002920000000000, -0.0001030900000000 ] - [ -0.0000055500000000, 0.0000026000000000, -0.0000323200000000 ] - [ 0.0000033800000000, 0.0000060000000000, 0.0000650800000000 ] - [ 0.0000029100000000, 0.0000663200000000, 0.0000768300000000 ] - [ 0.0000418400000000, 0.0001212200000000, -0.0000744900000000 ] - [ -0.0000087300000000, 0.0000006300000000, 0.0000659500000000 ] - [ -0.0002188900000000, -0.0000362200000000, 0.0012464000000000 ] - [ -0.0000684900000000, 0.0001650200000000, 0.0001087700000000 ] - [ -0.0000734600000000, -0.0002236100000000, -0.0001076200000000 ] - [ -0.0000050400000000, 0.0000022100000000, -0.0001823400000000 ] - [ 0.0000042400000000, 0.0000070700000000, 0.0001510200000000 ] - [ -0.0000039000000000, -0.0000626700000000, 0.0000766600000000 ] - [ 0.0000175300000000, -0.0001388200000000, -0.0000692000000000 ] - [ -0.0000090500000000, 0.0000014600000000, -0.0002111600000000 ] - [ -0.0002178700000000, -0.0000312200000000, -0.0010871400000000 ] - [ 0.0012340300000000, -0.0003621200000000, 0.0001290900000000 ] - [ 0.0005715600000000, 0.0009818500000000, -0.0001105300000000 ] - [ -0.0087336900000000, 0.0028825300000000, -0.0094019500000000 ] - [ 0.0077153300000000, 0.0017815900000000, 0.0088779600000000 ] - [ 0.0002011300000000, 0.0025273400000000, 0.0000724100000000 ] - [ -0.0000928000000000, 0.0016691900000000, -0.0000738900000000 ] - [ 0.0084946500000000, 0.0038152000000000, -0.0101297300000000 ] - [ 0.0001755300000000, -0.0000368400000000, -0.0004724000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005250500000000, 0.0008483800000000, -0.0037870000000000 ] - [ 0.0105123900000000, -0.0033747400000000, 0.0102467700000000 ] - [ -0.0105123900000000, 0.0033747400000000, 0.0102467700000000 ] - [ -0.0005250500000000, -0.0008483800000000, -0.0037870000000000 ] - [ 0.0003124500000000, 0.0011208800000000, -0.0005299300000000 ] - [ 0.0027095100000000, 0.0004427100000000, 0.0072271200000000 ] - [ -0.0013411300000000, 0.0004017400000000, 0.0041313700000000 ] - [ -0.0004154400000000, 0.0015176200000000, -0.0000264600000000 ] - [ -0.0003247400000000, -0.0022293400000000, 0.0003343900000000 ] - [ 0.0003247400000000, 0.0022293400000000, 0.0003343900000000 ] - [ -0.0129192100000000, 0.0000454500000000, 0.0138904000000000 ] - [ 0.0007495700000000, 0.0001600800000000, 0.0010936400000000 ] - [ 0.0000973600000000, 0.0003679800000000, -0.0010326700000000 ] - [ -0.0005246800000000, 0.0000239000000000, -0.0013536900000000 ] - [ 0.0005246800000000, -0.0000239000000000, -0.0013536900000000 ] - [ -0.0000973600000000, -0.0003679800000000, -0.0010326700000000 ] - [ 0.0005133900000000, 0.0003196000000000, -0.0013994200000000 ] - [ -0.0002936200000000, 0.0002036100000000, -0.0014090300000000 ] - [ 0.0002981700000000, -0.0001800900000000, -0.0014224400000000 ] - [ -0.0005282700000000, 0.0001026100000000, -0.0013171600000000 ] - [ 0.0000106100000000, -0.0001490300000000, -0.0010301900000000 ] - [ -0.0000106100000000, 0.0001490300000000, -0.0010301900000000 ] - [ 0.0000649600000000, 0.0000881500000000, -0.0010219300000000 ] - [ 0.0000317700000000, -0.0000555000000000, -0.0016226500000000 ] - [ 0.0007977400000000, -0.0002063200000000, -0.0027985500000000 ] - [ -0.0006470100000000, 0.0001236000000000, -0.0019311200000000 ] - [ 0.0006470100000000, -0.0001236000000000, -0.0019311200000000 ] - [ -0.0007977400000000, 0.0002063200000000, -0.0027985500000000 ] - [ 0.0005282700000000, -0.0001026100000000, -0.0013171600000000 ] - [ -0.0002981700000000, 0.0001800900000000, -0.0014224400000000 ] - [ 0.0002936200000000, -0.0002036100000000, -0.0014090300000000 ] - [ -0.0005133900000000, -0.0003196000000000, -0.0013994200000000 ] - [ -0.0000189200000000, 0.0003001000000000, -0.0010345200000000 ] - [ 0.0000189200000000, -0.0003001000000000, -0.0010345200000000 ] - [ -0.0000317700000000, 0.0000555000000000, -0.0016226500000000 ] - [ -0.0000649600000000, -0.0000881500000000, -0.0010219300000000 ] - [ 0.0002140900000000, -0.0002635000000000, -0.0004701400000000 ] - [ 0.0007609600000000, 0.0008801000000000, 0.0019784500000000 ] - [ -0.0007609600000000, -0.0008801000000000, 0.0019784500000000 ] - [ -0.0002140900000000, 0.0002635000000000, -0.0004701400000000 ] - [ 0.0004154400000000, -0.0015176200000000, -0.0000264600000000 ] - [ 0.0013411300000000, -0.0004017400000000, 0.0041313700000000 ] - [ -0.0027095100000000, -0.0004427100000000, 0.0072271200000000 ] - [ -0.0003124500000000, -0.0011208800000000, -0.0005299300000000 ] - [ -0.0004718500000000, 0.0028323100000000, -0.0004309000000000 ] - [ 0.0004718500000000, -0.0028323100000000, -0.0004309000000000 ] - [ -0.0007495700000000, -0.0001600800000000, 0.0010936400000000 ] - [ 0.0129192100000000, -0.0000454500000000, 0.0138904000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126600300000000 ] - [ -0.0018343200000000, 0.0095143200000000, -0.0017743800000000 ] - [ -0.0015871100000000, -0.0090512600000000, -0.0010868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0836613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0142428200000000 ] - [ 0.0010912700000000, 0.0099912300000000, -0.0050118400000000 ] - [ -0.0002433300000000, 0.0011657500000000, 0.0019858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024869500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014167200000000 ] - [ -0.0000365300000000, 0.0001431000000000, 0.0015798300000000 ] - [ -0.0000488400000000, -0.0001749500000000, 0.0018254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016597100000000 ] - [ 0.0000105400000000, 0.0001388600000000, 0.0022628800000000 ] - [ -0.0000424300000000, 0.0005489000000000, 0.0019830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021132900000000 ] - [ 0.0000365300000000, -0.0001431000000000, 0.0015798300000000 ] - [ 0.0000488400000000, 0.0001749500000000, 0.0018254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035553100000000 ] - [ -0.0000105400000000, -0.0001388600000000, 0.0022628800000000 ] - [ 0.0000424300000000, -0.0005489000000000, 0.0019830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009606200000000 ] - [ 0.0018343200000000, -0.0095143200000000, -0.0017743800000000 ] - [ 0.0015871100000000, 0.0090512600000000, -0.0010868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580500000000 ] - [ -0.0010912700000000, -0.0099912300000000, -0.0050118400000000 ] - [ 0.0002433300000000, -0.0011657500000000, 0.0019858100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007766100000000, -0.0007102000000000, 0.0038441400000000 ] - [ -0.0112474400000000, 0.0032367900000000, -0.0107108800000000 ] - [ 0.0112474400000000, -0.0032367900000000, -0.0107108800000000 ] - [ 0.0007766100000000, 0.0007102000000000, 0.0038441400000000 ] - [ -0.0000749600000000, -0.0012635800000000, 0.0004935800000000 ] - [ -0.0024786600000000, -0.0001467200000000, -0.0071951700000000 ] - [ 0.0010978700000000, -0.0005279500000000, -0.0040911600000000 ] - [ 0.0001731600000000, -0.0013714100000000, -0.0000116200000000 ] - [ 0.0002701500000000, 0.0022388800000000, -0.0003363300000000 ] - [ -0.0002701500000000, -0.0022388800000000, -0.0003363300000000 ] - [ 0.0124567500000000, -0.0000541300000000, -0.0134316200000000 ] - [ -0.0008062500000000, -0.0001596100000000, -0.0010970500000000 ] - [ -0.0003406100000000, -0.0002276800000000, 0.0010790500000000 ] - [ 0.0002841200000000, -0.0001644900000000, 0.0013111200000000 ] - [ -0.0002841200000000, 0.0001644900000000, 0.0013111200000000 ] - [ 0.0003406100000000, 0.0002276800000000, 0.0010790500000000 ] - [ -0.0002728700000000, -0.0004610100000000, 0.0013558700000000 ] - [ 0.0005349600000000, -0.0000634000000000, 0.0014535200000000 ] - [ -0.0005394300000000, 0.0000391200000000, 0.0014666100000000 ] - [ 0.0002879200000000, 0.0000376600000000, 0.0012732600000000 ] - [ -0.0000666600000000, 0.0001482300000000, 0.0010315700000000 ] - [ 0.0000666600000000, -0.0001482300000000, 0.0010315700000000 ] - [ -0.0000083200000000, -0.0000880400000000, 0.0010219400000000 ] - [ -0.0000886300000000, 0.0000552400000000, 0.0016245800000000 ] - [ -0.0010361800000000, 0.0003445600000000, 0.0028314100000000 ] - [ 0.0004056600000000, -0.0002629800000000, 0.0018875400000000 ] - [ -0.0004056600000000, 0.0002629800000000, 0.0018875400000000 ] - [ 0.0010361800000000, -0.0003445600000000, 0.0028314100000000 ] - [ -0.0002879200000000, -0.0000376600000000, 0.0012732600000000 ] - [ 0.0005394300000000, -0.0000391200000000, 0.0014666100000000 ] - [ -0.0005349600000000, 0.0000634000000000, 0.0014535200000000 ] - [ 0.0002728700000000, 0.0004610100000000, 0.0013558700000000 ] - [ -0.0000376300000000, -0.0002992800000000, 0.0010359800000000 ] - [ 0.0000376300000000, 0.0002992800000000, 0.0010359800000000 ] - [ 0.0000886300000000, -0.0000552400000000, 0.0016245800000000 ] - [ 0.0000083200000000, 0.0000880400000000, 0.0010219400000000 ] - [ -0.0004535200000000, 0.0004056000000000, 0.0005123900000000 ] - [ -0.0010007600000000, -0.0010216800000000, -0.0020236300000000 ] - [ 0.0010007600000000, 0.0010216800000000, -0.0020236300000000 ] - [ 0.0004535200000000, -0.0004056000000000, 0.0005123900000000 ] - [ -0.0001731600000000, 0.0013714100000000, -0.0000116200000000 ] - [ -0.0010978700000000, 0.0005279500000000, -0.0040911600000000 ] - [ 0.0024786600000000, 0.0001467200000000, -0.0071951700000000 ] - [ 0.0000749600000000, 0.0012635800000000, 0.0004935800000000 ] - [ 0.0004183800000000, -0.0028342400000000, 0.0004278800000000 ] - [ -0.0004183800000000, 0.0028342400000000, 0.0004278800000000 ] - [ 0.0008062500000000, 0.0001596100000000, -0.0010970500000000 ] - [ -0.0124567500000000, 0.0000541300000000, -0.0134316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130772200000000 ] - [ 0.0018310300000000, -0.0094771700000000, 0.0015399900000000 ] - [ 0.0015828200000000, 0.0090140700000000, 0.0013004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0837588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141864700000000 ] - [ -0.0010895800000000, -0.0100239200000000, 0.0048941200000000 ] - [ 0.0002409600000000, -0.0011681600000000, -0.0018376600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016360600000000 ] - [ 0.0000364700000000, -0.0001444700000000, -0.0018017700000000 ] - [ 0.0000487700000000, 0.0001759200000000, -0.0016073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021930900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018059000000000 ] - [ -0.0000100900000000, -0.0001384300000000, -0.0024123200000000 ] - [ 0.0000376300000000, -0.0005454100000000, -0.0018389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023310000000000 ] - [ -0.0000364700000000, 0.0001444700000000, -0.0018017700000000 ] - [ -0.0000487700000000, -0.0001759200000000, -0.0016073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037058500000000 ] - [ 0.0000100900000000, 0.0001384300000000, -0.0024123200000000 ] - [ -0.0000376300000000, 0.0005454100000000, -0.0018389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085163000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007459900000000 ] - [ -0.0018310300000000, 0.0094771700000000, 0.0015399900000000 ] - [ -0.0015828200000000, -0.0090140700000000, 0.0013004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005073700000000 ] - [ 0.0010895800000000, 0.0100239200000000, 0.0048941200000000 ] - [ -0.0002409600000000, 0.0011681600000000, -0.0018376600000000 ]