# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4cf43736-924a-4970-af8c-441e5a52c8e2/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 Tl2PdCl4 / P4/mmm (123) / materials id 29889](https://mdr.nims.go.jp/datasets/3677529b-1576-4dcc-a31f-d259dbf52dee) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4/mmm" number: 123 Hall_symbol: "-P 4 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 6.999524920000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.999524920000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.131212930000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.768787010000000, 0.768787010000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 2 coordinates: [ 0.231212990000000, 0.768787010000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 3 coordinates: [ 0.768787010000000, 0.231212990000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 4 coordinates: [ 0.231212990000000, 0.231212990000000, 0.000000000000000 ] mass: 35.453000 - symbol: Pd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 - symbol: Tl # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 - symbol: Tl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.142866839025412, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.142866839025412, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.242059660672102 ] # c*unit_cell: lattice: - [ 6.999524920000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.999524920000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.131212930000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.768787010000000, 0.768787010000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.231212990000000, 0.768787010000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 3 coordinates: [ 0.768787010000000, 0.231212990000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.231212990000000, 0.231212990000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 4 - symbol: Pd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 7supercell: lattice: - [ 13.999049840000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.999049840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.524851720000001 ] # c points: - symbol: Cl # 1 coordinates: [ 0.384393505000000, 0.384393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.884393505000000, 0.384393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 3 coordinates: [ 0.384393505000000, 0.884393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 4 coordinates: [ 0.884393505000000, 0.884393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 5 coordinates: [ 0.384393505000000, 0.384393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 6 coordinates: [ 0.884393505000000, 0.384393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 7 coordinates: [ 0.384393505000000, 0.884393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 8 coordinates: [ 0.884393505000000, 0.884393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 9 coordinates: [ 0.384393505000000, 0.384393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 10 coordinates: [ 0.884393505000000, 0.384393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 11 coordinates: [ 0.384393505000000, 0.884393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 12 coordinates: [ 0.884393505000000, 0.884393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 13 coordinates: [ 0.384393505000000, 0.384393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 14 coordinates: [ 0.884393505000000, 0.384393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 15 coordinates: [ 0.384393505000000, 0.884393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 16 coordinates: [ 0.884393505000000, 0.884393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 17 coordinates: [ 0.115606495000000, 0.384393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.615606495000000, 0.384393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 19 coordinates: [ 0.115606495000000, 0.884393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 20 coordinates: [ 0.615606495000000, 0.884393505000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 21 coordinates: [ 0.115606495000000, 0.384393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 22 coordinates: [ 0.615606495000000, 0.384393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 23 coordinates: [ 0.115606495000000, 0.884393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 24 coordinates: [ 0.615606495000000, 0.884393505000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 25 coordinates: [ 0.115606495000000, 0.384393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 26 coordinates: [ 0.615606495000000, 0.384393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 27 coordinates: [ 0.115606495000000, 0.884393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 28 coordinates: [ 0.615606495000000, 0.884393505000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 29 coordinates: [ 0.115606495000000, 0.384393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 30 coordinates: [ 0.615606495000000, 0.384393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 31 coordinates: [ 0.115606495000000, 0.884393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 32 coordinates: [ 0.615606495000000, 0.884393505000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 33 coordinates: [ 0.384393505000000, 0.115606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.884393505000000, 0.115606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 35 coordinates: [ 0.384393505000000, 0.615606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 36 coordinates: [ 0.884393505000000, 0.615606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 37 coordinates: [ 0.384393505000000, 0.115606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 38 coordinates: [ 0.884393505000000, 0.115606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 39 coordinates: [ 0.384393505000000, 0.615606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 40 coordinates: [ 0.884393505000000, 0.615606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 41 coordinates: [ 0.384393505000000, 0.115606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 42 coordinates: [ 0.884393505000000, 0.115606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 43 coordinates: [ 0.384393505000000, 0.615606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 44 coordinates: [ 0.884393505000000, 0.615606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 45 coordinates: [ 0.384393505000000, 0.115606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 46 coordinates: [ 0.884393505000000, 0.115606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 47 coordinates: [ 0.384393505000000, 0.615606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 48 coordinates: [ 0.884393505000000, 0.615606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 49 coordinates: [ 0.115606495000000, 0.115606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.615606495000000, 0.115606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.115606495000000, 0.615606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.615606495000000, 0.615606495000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.115606495000000, 0.115606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 54 coordinates: [ 0.615606495000000, 0.115606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 55 coordinates: [ 0.115606495000000, 0.615606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 56 coordinates: [ 0.615606495000000, 0.615606495000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 57 coordinates: [ 0.115606495000000, 0.115606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 58 coordinates: [ 0.615606495000000, 0.115606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 59 coordinates: [ 0.115606495000000, 0.615606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 60 coordinates: [ 0.615606495000000, 0.615606495000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 61 coordinates: [ 0.115606495000000, 0.115606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 62 coordinates: [ 0.615606495000000, 0.115606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 63 coordinates: [ 0.115606495000000, 0.615606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 64 coordinates: [ 0.615606495000000, 0.615606495000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 49 - symbol: Pd # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Tl # 81 coordinates: [ 0.250000000000000, 0.000000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 82 coordinates: [ 0.750000000000000, 0.000000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 83 coordinates: [ 0.250000000000000, 0.500000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 84 coordinates: [ 0.750000000000000, 0.500000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 85 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 86 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 87 coordinates: [ 0.250000000000000, 0.500000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 88 coordinates: [ 0.750000000000000, 0.500000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 89 coordinates: [ 0.250000000000000, 0.000000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 90 coordinates: [ 0.750000000000000, 0.000000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 91 coordinates: [ 0.250000000000000, 0.500000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 92 coordinates: [ 0.750000000000000, 0.500000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 93 coordinates: [ 0.250000000000000, 0.000000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 94 coordinates: [ 0.750000000000000, 0.000000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 95 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 96 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 97 coordinates: [ 0.000000000000000, 0.250000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 98 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 99 coordinates: [ 0.000000000000000, 0.750000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 100 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 101 coordinates: [ 0.000000000000000, 0.250000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 102 coordinates: [ 0.500000000000000, 0.250000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 103 coordinates: [ 0.000000000000000, 0.750000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 104 coordinates: [ 0.500000000000000, 0.750000000000000, 0.375000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 105 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 106 coordinates: [ 0.500000000000000, 0.250000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 107 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 108 coordinates: [ 0.500000000000000, 0.750000000000000, 0.625000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 109 coordinates: [ 0.000000000000000, 0.250000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 110 coordinates: [ 0.500000000000000, 0.250000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 111 coordinates: [ 0.000000000000000, 0.750000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 112 coordinates: [ 0.500000000000000, 0.750000000000000, 0.875000000000000 ] mass: 204.383300 reduced_to: 97born_effective_charge:- # 1 (Cl) - [ -1.127268690000000, 0.079883520000000, 0.000000000000000 ] - [ 0.079883510000000, -1.127268690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.134726180000000 ]- # 2 (Cl) - [ -1.127268690000000, -0.079883510000000, 0.000000000000000 ] - [ -0.079883520000000, -1.127268690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.134726180000000 ]- # 3 (Cl) - [ -1.127268690000000, -0.079883510000000, 0.000000000000000 ] - [ -0.079883520000000, -1.127268690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.134726180000000 ]- # 4 (Cl) - [ -1.127268690000000, 0.079883520000000, 0.000000000000000 ] - [ 0.079883510000000, -1.127268690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.134726180000000 ]- # 5 (Pd) - [ 0.984628090000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.984628090000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.085842270000000 ]- # 6 (Tl) - [ 2.483125440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.041321230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.312373500000000 ]- # 7 (Tl) - [ 1.041321230000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.483125440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.312373500000000 ]dielectric_constant: - [ 4.283500380000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.283500380000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.971648230000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0611126400000000, -0.0292451900000000, 0.0000000000000000 ] - [ 0.0041669900000000, 0.0039348300000000, 0.0000000000000000 ] - [ 0.0037520900000000, 0.0039350800000000, 0.0000000000000000 ] - [ 0.0040816200000000, 0.0038699400000000, 0.0000000000000000 ] - [ 0.0035256600000000, 0.0040326800000000, -0.0000697400000000 ] - [ 0.0041643700000000, 0.0039480800000000, 0.0001033400000000 ] - [ 0.0037474300000000, 0.0039478200000000, 0.0001072300000000 ] - [ 0.0040086200000000, 0.0038481100000000, 0.0000011600000000 ] - [ 0.0037994300000000, 0.0040009000000000, 0.0000000000000000 ] - [ 0.0039802500000000, 0.0038956900000000, 0.0000000000000000 ] - [ 0.0039055600000000, 0.0038940500000000, 0.0000000000000000 ] - [ 0.0040371300000000, 0.0037834900000000, 0.0000000000000000 ] - [ 0.0035256600000000, 0.0040326800000000, 0.0000697400000000 ] - [ 0.0041643700000000, 0.0039480800000000, -0.0001033400000000 ] - [ 0.0037474300000000, 0.0039478200000000, -0.0001072300000000 ] - [ 0.0040086200000000, 0.0038481100000000, -0.0000011600000000 ] - [ -0.0024096600000000, 0.0035312800000000, 0.0000000000000000 ] - [ 0.0029631700000000, 0.0050004800000000, 0.0000000000000000 ] - [ -0.0039533900000000, 0.0038435400000000, 0.0000000000000000 ] - [ -0.0042286900000000, 0.0042814000000000, 0.0000000000000000 ] - [ -0.0035827600000000, 0.0041723500000000, -0.0003309800000000 ] - [ -0.0038790400000000, 0.0041774400000000, 0.0002385900000000 ] - [ -0.0039368400000000, 0.0038507600000000, -0.0000175700000000 ] - [ -0.0038501000000000, 0.0039144500000000, 0.0000717000000000 ] - [ -0.0038913400000000, 0.0039304500000000, 0.0000000000000000 ] - [ -0.0038920000000000, 0.0039630300000000, 0.0000000000000000 ] - [ -0.0039946600000000, 0.0038298200000000, 0.0000000000000000 ] - [ -0.0039336200000000, 0.0038684000000000, 0.0000000000000000 ] - [ -0.0035827600000000, 0.0041723500000000, 0.0003309800000000 ] - [ -0.0038790400000000, 0.0041774400000000, -0.0002385900000000 ] - [ -0.0039368400000000, 0.0038507600000000, 0.0000175700000000 ] - [ -0.0038501000000000, 0.0039144500000000, -0.0000717000000000 ] - [ 0.0031992900000000, -0.0035219900000000, 0.0000000000000000 ] - [ 0.0040245500000000, -0.0038434100000000, 0.0000000000000000 ] - [ -0.0010338200000000, -0.0049784000000000, 0.0000000000000000 ] - [ 0.0042021700000000, -0.0042793900000000, 0.0000000000000000 ] - [ 0.0035941200000000, -0.0041732600000000, 0.0003001100000000 ] - [ 0.0040123500000000, -0.0038510300000000, -0.0000150500000000 ] - [ 0.0032988000000000, -0.0041773000000000, -0.0002753600000000 ] - [ 0.0041043100000000, -0.0039151100000000, 0.0000738800000000 ] - [ 0.0038903300000000, -0.0039289500000000, 0.0000000000000000 ] - [ 0.0040008400000000, -0.0038295900000000, 0.0000000000000000 ] - [ 0.0038183400000000, -0.0039627700000000, 0.0000000000000000 ] - [ 0.0039885200000000, -0.0038699800000000, 0.0000000000000000 ] - [ 0.0035941200000000, -0.0041732600000000, -0.0003001100000000 ] - [ 0.0040123500000000, -0.0038510300000000, 0.0000150500000000 ] - [ 0.0032988000000000, -0.0041773000000000, 0.0002753600000000 ] - [ 0.0041043100000000, -0.0039151100000000, -0.0000738800000000 ] - [ -0.0038892800000000, -0.0037664500000000, 0.0000000000000000 ] - [ -0.0038858100000000, -0.0041613400000000, 0.0000000000000000 ] - [ -0.0035364200000000, -0.0041623100000000, 0.0000000000000000 ] - [ 0.0004832300000000, 0.0050197200000000, 0.0000000000000000 ] - [ -0.0039446300000000, -0.0038462200000000, -0.0000219100000000 ] - [ -0.0035363800000000, -0.0044059100000000, 0.0005319700000000 ] - [ -0.0030650900000000, -0.0044041100000000, -0.0008307800000000 ] - [ -0.0039505300000000, -0.0039859200000000, 0.0001394800000000 ] - [ -0.0039767500000000, -0.0038546700000000, 0.0000000000000000 ] - [ -0.0039095500000000, -0.0039140200000000, 0.0000000000000000 ] - [ -0.0038929500000000, -0.0039155600000000, 0.0000000000000000 ] - [ -0.0039043500000000, -0.0039297400000000, 0.0000000000000000 ] - [ -0.0039446300000000, -0.0038462200000000, 0.0000219100000000 ] - [ -0.0035363800000000, -0.0044059100000000, -0.0005319700000000 ] - [ -0.0030650900000000, -0.0044041100000000, 0.0008307800000000 ] - [ -0.0039505300000000, -0.0039859200000000, -0.0001394800000000 ] - [ -0.0001022100000000, -0.0000599800000000, 0.0000000000000000 ] - [ 0.0007809000000000, -0.0000388400000000, 0.0000000000000000 ] - [ -0.0001675100000000, 0.0005376300000000, 0.0000000000000000 ] - [ 0.0507456600000000, 0.0302831200000000, 0.0000000000000000 ] - [ -0.0000399700000000, 0.0000029800000000, -0.0000020600000000 ] - [ 0.0000758800000000, 0.0001310500000000, -0.0000091500000000 ] - [ -0.0003168000000000, -0.0001169400000000, -0.0000092400000000 ] - [ 0.0002457300000000, -0.0000392200000000, 0.0000488600000000 ] - [ -0.0000001400000000, 0.0000087800000000, 0.0000000000000000 ] - [ 0.0000026000000000, 0.0000160100000000, 0.0000000000000000 ] - [ -0.0000379600000000, -0.0000088600000000, 0.0000000000000000 ] - [ 0.0000381900000000, -0.0000114200000000, 0.0000000000000000 ] - [ -0.0000399700000000, 0.0000029800000000, 0.0000020600000000 ] - [ 0.0000758800000000, 0.0001310500000000, 0.0000091500000000 ] - [ -0.0003168000000000, -0.0001169400000000, 0.0000092400000000 ] - [ 0.0002457300000000, -0.0000392200000000, -0.0000488600000000 ] - [ 0.0001880300000000, -0.0000653900000000, 0.0000806300000000 ] - [ -0.0002743900000000, 0.0000340000000000, -0.0000168800000000 ] - [ 0.0011508900000000, -0.0006104300000000, -0.0005880200000000 ] - [ -0.0007579700000000, 0.0002758800000000, -0.0006140800000000 ] - [ 0.0001693800000000, 0.0000237000000000, -0.0000631500000000 ] - [ -0.0001918700000000, 0.0000523700000000, -0.0001055100000000 ] - [ 0.0001925700000000, -0.0000438100000000, 0.0002724100000000 ] - [ -0.0001753200000000, -0.0000192100000000, -0.0000582400000000 ] - [ 0.0001693800000000, 0.0000237000000000, 0.0000631500000000 ] - [ -0.0001918700000000, 0.0000523700000000, 0.0001055100000000 ] - [ 0.0001925700000000, -0.0000438100000000, -0.0002724100000000 ] - [ -0.0001753200000000, -0.0000192100000000, 0.0000582400000000 ] - [ 0.0001880300000000, -0.0000653900000000, -0.0000806300000000 ] - [ -0.0002743900000000, 0.0000340000000000, 0.0000168800000000 ] - [ 0.0011508900000000, -0.0006104300000000, 0.0005880200000000 ] - [ -0.0007579700000000, 0.0002758800000000, 0.0006140800000000 ] - [ -0.0002232100000000, -0.0002388200000000, 0.0000902100000000 ] - [ 0.0019199400000000, -0.0014951500000000, 0.0014773900000000 ] - [ -0.0002074200000000, 0.0002426900000000, -0.0000139900000000 ] - [ 0.0005136900000000, -0.0003612000000000, -0.0006333100000000 ] - [ -0.0000753400000000, -0.0001299000000000, 0.0000821800000000 ] - [ 0.0000831700000000, -0.0001374900000000, -0.0001794700000000 ] - [ -0.0001136400000000, 0.0001770900000000, 0.0001227700000000 ] - [ 0.0000722800000000, 0.0001125700000000, -0.0000576400000000 ] - [ -0.0000753400000000, -0.0001299000000000, -0.0000821800000000 ] - [ 0.0000831700000000, -0.0001374900000000, 0.0001794700000000 ] - [ -0.0001136400000000, 0.0001770900000000, -0.0001227700000000 ] - [ 0.0000722800000000, 0.0001125700000000, 0.0000576400000000 ] - [ -0.0002232100000000, -0.0002388200000000, -0.0000902100000000 ] - [ 0.0019199400000000, -0.0014951500000000, -0.0014773900000000 ] - [ -0.0002074200000000, 0.0002426900000000, 0.0000139900000000 ] - [ 0.0005136900000000, -0.0003612000000000, 0.0006333100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0672816100000000, 0.0353643300000000, 0.0000000000000000 ] - [ 0.0036542500000000, 0.0038891300000000, 0.0000000000000000 ] - [ 0.0040725900000000, 0.0038893400000000, 0.0000000000000000 ] - [ 0.0037413000000000, 0.0039544100000000, 0.0000000000000000 ] - [ 0.0043027600000000, 0.0037914700000000, 0.0000669200000000 ] - [ 0.0036586300000000, 0.0038771800000000, -0.0001041300000000 ] - [ 0.0040773600000000, 0.0038763900000000, -0.0001077600000000 ] - [ 0.0038156000000000, 0.0039771900000000, -0.0000012300000000 ] - [ 0.0040267800000000, 0.0038238800000000, 0.0000000000000000 ] - [ 0.0038456300000000, 0.0039307800000000, 0.0000000000000000 ] - [ 0.0039187600000000, 0.0039299200000000, 0.0000000000000000 ] - [ 0.0037877900000000, 0.0040426200000000, 0.0000000000000000 ] - [ 0.0043027600000000, 0.0037914700000000, -0.0000669200000000 ] - [ 0.0036586300000000, 0.0038771800000000, 0.0001041300000000 ] - [ 0.0040773600000000, 0.0038763900000000, 0.0001077600000000 ] - [ 0.0038156000000000, 0.0039771900000000, 0.0000012300000000 ] - [ -0.0054616300000000, 0.0042996700000000, 0.0000000000000000 ] - [ -0.0105706000000000, 0.0028924900000000, 0.0000000000000000 ] - [ -0.0038698100000000, 0.0039809800000000, 0.0000000000000000 ] - [ -0.0035971700000000, 0.0035428600000000, 0.0000000000000000 ] - [ -0.0042444500000000, 0.0036515100000000, 0.0003330600000000 ] - [ -0.0039467100000000, 0.0036462100000000, -0.0002426300000000 ] - [ -0.0038872900000000, 0.0039744300000000, 0.0000175100000000 ] - [ -0.0039749000000000, 0.0039097500000000, -0.0000727700000000 ] - [ -0.0039352300000000, 0.0038961300000000, 0.0000000000000000 ] - [ -0.0039333500000000, 0.0038621600000000, 0.0000000000000000 ] - [ -0.0038302900000000, 0.0039960000000000, 0.0000000000000000 ] - [ -0.0038912300000000, 0.0039564100000000, 0.0000000000000000 ] - [ -0.0042444500000000, 0.0036515100000000, -0.0003330600000000 ] - [ -0.0039467100000000, 0.0036462100000000, 0.0002426300000000 ] - [ -0.0038872900000000, 0.0039744300000000, -0.0000175100000000 ] - [ -0.0039749000000000, 0.0039097500000000, 0.0000727700000000 ] - [ 0.0046282800000000, -0.0042903400000000, 0.0000000000000000 ] - [ 0.0037985100000000, -0.0039808200000000, 0.0000000000000000 ] - [ 0.0088007800000000, -0.0028714500000000, 0.0000000000000000 ] - [ 0.0036184300000000, -0.0035408900000000, 0.0000000000000000 ] - [ 0.0042305500000000, -0.0036520500000000, -0.0002998300000000 ] - [ 0.0038119300000000, -0.0039746800000000, 0.0000154200000000 ] - [ 0.0045330900000000, -0.0036461200000000, 0.0002787800000000 ] - [ 0.0037192200000000, -0.0039109300000000, -0.0000747400000000 ] - [ 0.0039347900000000, -0.0038955000000000, 0.0000000000000000 ] - [ 0.0038241200000000, -0.0039959400000000, 0.0000000000000000 ] - [ 0.0040074500000000, -0.0038617100000000, 0.0000000000000000 ] - [ 0.0038376500000000, -0.0039572300000000, 0.0000000000000000 ] - [ 0.0042305500000000, -0.0036520500000000, 0.0002998300000000 ] - [ 0.0038119300000000, -0.0039746800000000, -0.0000154200000000 ] - [ 0.0045330900000000, -0.0036461200000000, -0.0002787800000000 ] - [ 0.0037192200000000, -0.0039109300000000, 0.0000747400000000 ] - [ -0.0039349100000000, -0.0040590300000000, 0.0000000000000000 ] - [ -0.0039381500000000, -0.0036596200000000, 0.0000000000000000 ] - [ -0.0042882300000000, -0.0036607200000000, 0.0000000000000000 ] - [ -0.0082770800000000, -0.0127080400000000, 0.0000000000000000 ] - [ -0.0038796000000000, -0.0039794400000000, 0.0000219700000000 ] - [ -0.0042874400000000, -0.0034185700000000, -0.0005323900000000 ] - [ -0.0047679600000000, -0.0034171300000000, 0.0008380200000000 ] - [ -0.0038747100000000, -0.0038396100000000, -0.0001411100000000 ] - [ -0.0038481100000000, -0.0039707000000000, 0.0000000000000000 ] - [ -0.0039149100000000, -0.0039098600000000, 0.0000000000000000 ] - [ -0.0039328800000000, -0.0039107200000000, 0.0000000000000000 ] - [ -0.0039207500000000, -0.0038953700000000, 0.0000000000000000 ] - [ -0.0038796000000000, -0.0039794400000000, -0.0000219700000000 ] - [ -0.0042874400000000, -0.0034185700000000, 0.0005323900000000 ] - [ -0.0047679600000000, -0.0034171300000000, -0.0008380200000000 ] - [ -0.0038747100000000, -0.0038396100000000, 0.0001411100000000 ] - [ 0.0001041100000000, 0.0000602900000000, 0.0000000000000000 ] - [ -0.0007808900000000, 0.0000408900000000, 0.0000000000000000 ] - [ 0.0001663400000000, -0.0005486600000000, 0.0000000000000000 ] - [ -0.0492198000000000, -0.0287600300000000, 0.0000000000000000 ] - [ 0.0000409000000000, -0.0000033900000000, 0.0000021400000000 ] - [ -0.0000771300000000, -0.0001306600000000, 0.0000091800000000 ] - [ 0.0003206600000000, 0.0001189600000000, 0.0000097600000000 ] - [ -0.0002485000000000, 0.0000418000000000, -0.0000481900000000 ] - [ 0.0000003100000000, -0.0000080500000000, 0.0000000000000000 ] - [ -0.0000027300000000, -0.0000163000000000, 0.0000000000000000 ] - [ 0.0000393500000000, 0.0000093900000000, 0.0000000000000000 ] - [ -0.0000385400000000, 0.0000131100000000, 0.0000000000000000 ] - [ 0.0000409000000000, -0.0000033900000000, -0.0000021400000000 ] - [ -0.0000771300000000, -0.0001306600000000, -0.0000091800000000 ] - [ 0.0003206600000000, 0.0001189600000000, -0.0000097600000000 ] - [ -0.0002485000000000, 0.0000418000000000, 0.0000481900000000 ] - [ -0.0001904100000000, 0.0000657400000000, -0.0000798700000000 ] - [ 0.0002765400000000, -0.0000346200000000, 0.0000176900000000 ] - [ -0.0011804400000000, 0.0006376100000000, 0.0006209400000000 ] - [ 0.0007685400000000, -0.0002717000000000, 0.0006198200000000 ] - [ -0.0001701700000000, -0.0000237300000000, 0.0000631100000000 ] - [ 0.0001930500000000, -0.0000522500000000, 0.0001057800000000 ] - [ -0.0001951800000000, 0.0000448000000000, -0.0002746000000000 ] - [ 0.0001775900000000, 0.0000195400000000, 0.0000593600000000 ] - [ -0.0001701700000000, -0.0000237300000000, -0.0000631100000000 ] - [ 0.0001930500000000, -0.0000522500000000, -0.0001057800000000 ] - [ -0.0001951800000000, 0.0000448000000000, 0.0002746000000000 ] - [ 0.0001775900000000, 0.0000195400000000, -0.0000593600000000 ] - [ -0.0001904100000000, 0.0000657400000000, 0.0000798700000000 ] - [ 0.0002765400000000, -0.0000346200000000, -0.0000176900000000 ] - [ -0.0011804400000000, 0.0006376100000000, -0.0006209400000000 ] - [ 0.0007685400000000, -0.0002717000000000, -0.0006198200000000 ] - [ 0.0002263400000000, 0.0002408600000000, -0.0000918600000000 ] - [ -0.0019100900000000, 0.0014496900000000, -0.0014247900000000 ] - [ 0.0002092300000000, -0.0002448000000000, 0.0000135900000000 ] - [ -0.0005125900000000, 0.0003639100000000, 0.0006352200000000 ] - [ 0.0000762100000000, 0.0001305100000000, -0.0000827900000000 ] - [ -0.0000837300000000, 0.0001363600000000, 0.0001802800000000 ] - [ 0.0001149300000000, -0.0001784600000000, -0.0001240900000000 ] - [ -0.0000731100000000, -0.0001126300000000, 0.0000579400000000 ] - [ 0.0000762100000000, 0.0001305100000000, 0.0000827900000000 ] - [ -0.0000837300000000, 0.0001363600000000, -0.0001802800000000 ] - [ 0.0001149300000000, -0.0001784600000000, 0.0001240900000000 ] - [ -0.0000731100000000, -0.0001126300000000, -0.0000579400000000 ] - [ 0.0002263400000000, 0.0002408600000000, 0.0000918600000000 ] - [ -0.0019100900000000, 0.0014496900000000, 0.0014247900000000 ] - [ 0.0002092300000000, -0.0002448000000000, -0.0000135900000000 ] - [ -0.0005125900000000, 0.0003639100000000, -0.0006352200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040284600000000, 0.0040284600000000, -0.0157204100000000 ] - [ 0.0039118200000000, 0.0039126200000000, -0.0001016200000000 ] - [ 0.0039126200000000, 0.0039118200000000, -0.0001016200000000 ] - [ 0.0039118900000000, 0.0039118900000000, -0.0001264600000000 ] - [ 0.0039815400000000, 0.0039815400000000, 0.0009812000000000 ] - [ 0.0038081300000000, 0.0038053100000000, -0.0000227700000000 ] - [ 0.0038053100000000, 0.0038081300000000, -0.0000227700000000 ] - [ 0.0039114200000000, 0.0039114200000000, -0.0000216000000000 ] - [ 0.0039132200000000, 0.0039132200000000, 0.0002905800000000 ] - [ 0.0039128200000000, 0.0039129500000000, 0.0001414100000000 ] - [ 0.0039129500000000, 0.0039128200000000, 0.0001414100000000 ] - [ 0.0039132000000000, 0.0039132000000000, 0.0002198900000000 ] - [ 0.0038441700000000, 0.0038441700000000, 0.0009606100000000 ] - [ 0.0040156700000000, 0.0040203500000000, -0.0000210600000000 ] - [ 0.0040203500000000, 0.0040156700000000, -0.0000210600000000 ] - [ 0.0039140500000000, 0.0039140500000000, -0.0000213700000000 ] - [ -0.0039113100000000, 0.0039137000000000, -0.0003235800000000 ] - [ -0.0039246200000000, 0.0039183600000000, -0.0013654800000000 ] - [ -0.0039117900000000, 0.0039121100000000, -0.0001183100000000 ] - [ -0.0039121600000000, 0.0039113900000000, -0.0001114000000000 ] - [ -0.0042451100000000, 0.0036121100000000, 0.0003437300000000 ] - [ -0.0036723100000000, 0.0041908300000000, 0.0002772500000000 ] - [ -0.0039300400000000, 0.0039279000000000, -0.0000028800000000 ] - [ -0.0038407600000000, 0.0038378400000000, -0.0000044900000000 ] - [ -0.0039131700000000, 0.0039130500000000, 0.0001924400000000 ] - [ -0.0039129200000000, 0.0039133400000000, 0.0002105300000000 ] - [ -0.0039131100000000, 0.0039132500000000, 0.0001521900000000 ] - [ -0.0039131900000000, 0.0039129800000000, 0.0001648600000000 ] - [ -0.0035813300000000, 0.0042123200000000, 0.0003427600000000 ] - [ -0.0041529100000000, 0.0036359800000000, 0.0002791300000000 ] - [ -0.0038953700000000, 0.0038977300000000, -0.0000024600000000 ] - [ -0.0039855400000000, 0.0039866300000000, -0.0000032300000000 ] - [ 0.0039137000000000, -0.0039113100000000, -0.0003235800000000 ] - [ 0.0039121100000000, -0.0039117900000000, -0.0001183100000000 ] - [ 0.0039183600000000, -0.0039246200000000, -0.0013654800000000 ] - [ 0.0039113900000000, -0.0039121600000000, -0.0001114000000000 ] - [ 0.0036121100000000, -0.0042451100000000, 0.0003437300000000 ] - [ 0.0039279000000000, -0.0039300400000000, -0.0000028800000000 ] - [ 0.0041908300000000, -0.0036723100000000, 0.0002772500000000 ] - [ 0.0038378400000000, -0.0038407600000000, -0.0000044900000000 ] - [ 0.0039130500000000, -0.0039131700000000, 0.0001924400000000 ] - [ 0.0039132500000000, -0.0039131100000000, 0.0001521900000000 ] - [ 0.0039133400000000, -0.0039129200000000, 0.0002105300000000 ] - [ 0.0039129800000000, -0.0039131900000000, 0.0001648600000000 ] - [ 0.0042123200000000, -0.0035813300000000, 0.0003427600000000 ] - [ 0.0038977300000000, -0.0038953700000000, -0.0000024600000000 ] - [ 0.0036359800000000, -0.0041529100000000, 0.0002791300000000 ] - [ 0.0039866300000000, -0.0039855400000000, -0.0000032300000000 ] - [ -0.0039118800000000, -0.0039118800000000, -0.0001164700000000 ] - [ -0.0039106700000000, -0.0039146500000000, -0.0010038600000000 ] - [ -0.0039146500000000, -0.0039106700000000, -0.0010038600000000 ] - [ -0.0039246700000000, -0.0039246700000000, -0.0048408200000000 ] - [ -0.0039343600000000, -0.0039343600000000, -0.0000001800000000 ] - [ -0.0033788800000000, -0.0047501600000000, 0.0008804800000000 ] - [ -0.0047501600000000, -0.0033788800000000, 0.0008804800000000 ] - [ -0.0037723600000000, -0.0037723600000000, -0.0000116300000000 ] - [ -0.0039129500000000, -0.0039129500000000, 0.0001165100000000 ] - [ -0.0039128300000000, -0.0039130200000000, 0.0002360900000000 ] - [ -0.0039130200000000, -0.0039128300000000, 0.0002360900000000 ] - [ -0.0039128800000000, -0.0039128800000000, 0.0001506700000000 ] - [ -0.0038908500000000, -0.0038908500000000, 0.0000003200000000 ] - [ -0.0044434600000000, -0.0030814100000000, 0.0008739500000000 ] - [ -0.0030814100000000, -0.0044434600000000, 0.0008739500000000 ] - [ -0.0040524400000000, -0.0040524400000000, -0.0000095800000000 ] - [ 0.0000001500000000, 0.0000001500000000, -0.0000148400000000 ] - [ -0.0000010100000000, 0.0000020000000000, -0.0000553400000000 ] - [ 0.0000020000000000, -0.0000010100000000, -0.0000553400000000 ] - [ -0.0000967500000000, -0.0000967500000000, 0.0112986000000000 ] - [ 0.0000197100000000, 0.0000197100000000, -0.0000032700000000 ] - [ 0.0001155400000000, 0.0002712000000000, 0.0000016700000000 ] - [ 0.0002712000000000, 0.0001155400000000, 0.0000016700000000 ] - [ -0.0001302500000000, -0.0001302500000000, 0.0001148300000000 ] - [ 0.0000002300000000, 0.0000002300000000, 0.0000126000000000 ] - [ 0.0000002900000000, 0.0000004100000000, 0.0000142000000000 ] - [ 0.0000004100000000, 0.0000002900000000, 0.0000142000000000 ] - [ 0.0000002000000000, 0.0000002000000000, 0.0000141800000000 ] - [ -0.0000197500000000, -0.0000197500000000, -0.0000032900000000 ] - [ -0.0001140800000000, -0.0002684400000000, 0.0000018600000000 ] - [ -0.0002684400000000, -0.0001140800000000, 0.0000018600000000 ] - [ 0.0001286500000000, 0.0001286500000000, 0.0001145400000000 ] - [ 0.0000902300000000, 0.0000326300000000, 0.0002356800000000 ] - [ -0.0001147600000000, 0.0000791300000000, 0.0002810800000000 ] - [ -0.0010927000000000, 0.0012323300000000, 0.0018785500000000 ] - [ -0.0000642000000000, -0.0000818000000000, 0.0003372700000000 ] - [ 0.0000966900000000, 0.0000415500000000, -0.0002514700000000 ] - [ -0.0001456200000000, 0.0000824900000000, -0.0003087400000000 ] - [ 0.0000775500000000, -0.0000372400000000, -0.0006448000000000 ] - [ -0.0000878200000000, -0.0000426400000000, -0.0003283000000000 ] - [ -0.0000965100000000, -0.0000411300000000, -0.0002516600000000 ] - [ 0.0001449600000000, -0.0000815000000000, -0.0003082800000000 ] - [ -0.0000778000000000, 0.0000367100000000, -0.0006435300000000 ] - [ 0.0000882800000000, 0.0000423900000000, -0.0003291800000000 ] - [ -0.0000905000000000, -0.0000324000000000, 0.0002346700000000 ] - [ 0.0001141300000000, -0.0000775000000000, 0.0002801100000000 ] - [ 0.0010275500000000, -0.0011764000000000, 0.0018217200000000 ] - [ 0.0000713600000000, 0.0000803900000000, 0.0003284900000000 ] - [ 0.0000326300000000, 0.0000902300000000, 0.0002356800000000 ] - [ 0.0012323300000000, -0.0010927000000000, 0.0018785500000000 ] - [ 0.0000791300000000, -0.0001147600000000, 0.0002810800000000 ] - [ -0.0000818000000000, -0.0000642000000000, 0.0003372700000000 ] - [ 0.0000415500000000, 0.0000966900000000, -0.0002514700000000 ] - [ -0.0000372400000000, 0.0000775500000000, -0.0006448000000000 ] - [ 0.0000824900000000, -0.0001456200000000, -0.0003087400000000 ] - [ -0.0000426400000000, -0.0000878200000000, -0.0003283000000000 ] - [ -0.0000411300000000, -0.0000965100000000, -0.0002516600000000 ] - [ 0.0000367100000000, -0.0000778000000000, -0.0006435300000000 ] - [ -0.0000815000000000, 0.0001449600000000, -0.0003082800000000 ] - [ 0.0000423900000000, 0.0000882800000000, -0.0003291800000000 ] - [ -0.0000324000000000, -0.0000905000000000, 0.0002346700000000 ] - [ -0.0011764000000000, 0.0010275500000000, 0.0018217200000000 ] - [ -0.0000775000000000, 0.0001141300000000, 0.0002801100000000 ] - [ 0.0000803900000000, 0.0000713600000000, 0.0003284900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038160700000000, 0.0038590200000000, 0.0000000000000000 ] - [ 0.0046991400000000, 0.0044591200000000, 0.0000000000000000 ] - [ 0.0037543400000000, 0.0038809200000000, 0.0000000000000000 ] - [ 0.0530867800000000, 0.0326120400000000, 0.0000000000000000 ] - [ 0.0038797300000000, 0.0039232000000000, -0.0000192000000000 ] - [ 0.0039967100000000, 0.0038011500000000, -0.0001152800000000 ] - [ 0.0036005200000000, 0.0040515300000000, -0.0002700400000000 ] - [ 0.0041675800000000, 0.0038783000000000, 0.0001289300000000 ] - [ 0.0039179500000000, 0.0039258600000000, 0.0000000000000000 ] - [ 0.0039218200000000, 0.0039087500000000, 0.0000000000000000 ] - [ 0.0038815200000000, 0.0039358500000000, 0.0000000000000000 ] - [ 0.0039588400000000, 0.0039073200000000, 0.0000000000000000 ] - [ 0.0038797300000000, 0.0039232000000000, 0.0000192000000000 ] - [ 0.0039967100000000, 0.0038011500000000, 0.0001152800000000 ] - [ 0.0036005200000000, 0.0040515300000000, 0.0002700400000000 ] - [ 0.0041675800000000, 0.0038783000000000, -0.0001289300000000 ] - [ -0.0031361900000000, 0.0033729500000000, 0.0000000000000000 ] - [ -0.0040205300000000, 0.0039786700000000, 0.0000000000000000 ] - [ 0.0468798000000000, -0.0264354100000000, 0.0000000000000000 ] - [ -0.0040858800000000, 0.0039597600000000, 0.0000000000000000 ] - [ -0.0038433600000000, 0.0040376000000000, 0.0001143500000000 ] - [ -0.0039580300000000, 0.0039158700000000, 0.0000199800000000 ] - [ -0.0036731400000000, 0.0039603600000000, -0.0001301500000000 ] - [ -0.0042355200000000, 0.0037894500000000, 0.0002695900000000 ] - [ -0.0039156200000000, 0.0039275600000000, 0.0000000000000000 ] - [ -0.0039180400000000, 0.0039099300000000, 0.0000000000000000 ] - [ -0.0038812200000000, 0.0039320700000000, 0.0000000000000000 ] - [ -0.0039573500000000, 0.0039034700000000, 0.0000000000000000 ] - [ -0.0038433600000000, 0.0040376000000000, -0.0001143500000000 ] - [ -0.0039580300000000, 0.0039158700000000, -0.0000199800000000 ] - [ -0.0036731400000000, 0.0039603600000000, 0.0001301500000000 ] - [ -0.0042355200000000, 0.0037894500000000, -0.0002695900000000 ] - [ 0.0037543400000000, -0.0038809200000000, 0.0000000000000000 ] - [ 0.0530867800000000, -0.0326120400000000, 0.0000000000000000 ] - [ 0.0038160700000000, -0.0038590200000000, 0.0000000000000000 ] - [ 0.0046991400000000, -0.0044591200000000, 0.0000000000000000 ] - [ 0.0036005200000000, -0.0040515300000000, -0.0002700400000000 ] - [ 0.0041675800000000, -0.0038783000000000, 0.0001289300000000 ] - [ 0.0038797300000000, -0.0039232000000000, -0.0000192000000000 ] - [ 0.0039967100000000, -0.0038011500000000, -0.0001152800000000 ] - [ 0.0038815200000000, -0.0039358500000000, 0.0000000000000000 ] - [ 0.0039588400000000, -0.0039073200000000, 0.0000000000000000 ] - [ 0.0039179500000000, -0.0039258600000000, 0.0000000000000000 ] - [ 0.0039218200000000, -0.0039087500000000, 0.0000000000000000 ] - [ 0.0036005200000000, -0.0040515300000000, 0.0002700400000000 ] - [ 0.0041675800000000, -0.0038783000000000, -0.0001289300000000 ] - [ 0.0038797300000000, -0.0039232000000000, 0.0000192000000000 ] - [ 0.0039967100000000, -0.0038011500000000, 0.0001152800000000 ] - [ 0.0468798000000000, 0.0264354100000000, 0.0000000000000000 ] - [ -0.0040858800000000, -0.0039597600000000, 0.0000000000000000 ] - [ -0.0031361900000000, -0.0033729500000000, 0.0000000000000000 ] - [ -0.0040205300000000, -0.0039786700000000, 0.0000000000000000 ] - [ -0.0036731400000000, -0.0039603600000000, -0.0001301500000000 ] - [ -0.0042355200000000, -0.0037894500000000, 0.0002695900000000 ] - [ -0.0038433600000000, -0.0040376000000000, 0.0001143500000000 ] - [ -0.0039580300000000, -0.0039158700000000, 0.0000199800000000 ] - [ -0.0038812200000000, -0.0039320700000000, 0.0000000000000000 ] - [ -0.0039573500000000, -0.0039034700000000, 0.0000000000000000 ] - [ -0.0039156200000000, -0.0039275600000000, 0.0000000000000000 ] - [ -0.0039180400000000, -0.0039099300000000, 0.0000000000000000 ] - [ -0.0036731400000000, -0.0039603600000000, 0.0001301500000000 ] - [ -0.0042355200000000, -0.0037894500000000, -0.0002695900000000 ] - [ -0.0038433600000000, -0.0040376000000000, -0.0001143500000000 ] - [ -0.0039580300000000, -0.0039158700000000, -0.0000199800000000 ] - [ -0.2020286800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006113400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020471300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001837800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002569600000000, 0.0000000000000000, 0.0000049900000000 ] - [ 0.0002832200000000, 0.0000000000000000, 0.0000003700000000 ] - [ 0.0000832000000000, 0.0000000000000000, 0.0000003500000000 ] - [ 0.0000506000000000, 0.0000000000000000, 0.0000002500000000 ] - [ -0.0000314800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000322800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000074000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000086800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002569600000000, 0.0000000000000000, -0.0000049900000000 ] - [ 0.0002832200000000, 0.0000000000000000, -0.0000003700000000 ] - [ 0.0000832000000000, 0.0000000000000000, -0.0000003500000000 ] - [ 0.0000506000000000, 0.0000000000000000, -0.0000002500000000 ] - [ 0.0020067000000000, 0.0000000000000000, 0.0018567400000000 ] - [ 0.0019897100000000, 0.0000000000000000, -0.0018545200000000 ] - [ 0.0000654200000000, 0.0000000000000000, 0.0001403800000000 ] - [ 0.0000629700000000, 0.0000000000000000, -0.0001402200000000 ] - [ 0.0000052400000000, 0.0000000000000000, 0.0001350200000000 ] - [ 0.0000023300000000, 0.0000000000000000, -0.0001350700000000 ] - [ -0.0000239800000000, 0.0000000000000000, -0.0000014800000000 ] - [ -0.0000244500000000, 0.0000000000000000, 0.0000022700000000 ] - [ 0.0000052400000000, 0.0000000000000000, -0.0001350200000000 ] - [ 0.0000023300000000, 0.0000000000000000, 0.0001350700000000 ] - [ -0.0000239800000000, 0.0000000000000000, 0.0000014800000000 ] - [ -0.0000244500000000, 0.0000000000000000, -0.0000022700000000 ] - [ 0.0020067000000000, 0.0000000000000000, -0.0018567400000000 ] - [ 0.0019897100000000, 0.0000000000000000, 0.0018545200000000 ] - [ 0.0000654200000000, 0.0000000000000000, -0.0001403800000000 ] - [ 0.0000629700000000, 0.0000000000000000, 0.0001402200000000 ] - [ -0.0019794000000000, 0.0000023900000000, 0.0000017200000000 ] - [ 0.0002281400000000, -0.0000022300000000, -0.0000029300000000 ] - [ -0.0019794000000000, -0.0000023900000000, 0.0000017200000000 ] - [ 0.0002281400000000, 0.0000022300000000, -0.0000029300000000 ] - [ -0.0000606700000000, 0.0000011200000000, 0.0000003800000000 ] - [ 0.0000750200000000, 0.0000000100000000, -0.0000003100000000 ] - [ -0.0000606700000000, -0.0000011200000000, 0.0000003800000000 ] - [ 0.0000750200000000, -0.0000000100000000, -0.0000003100000000 ] - [ -0.0000606700000000, 0.0000011200000000, -0.0000003800000000 ] - [ 0.0000750200000000, 0.0000000100000000, 0.0000003100000000 ] - [ -0.0000606700000000, -0.0000011200000000, -0.0000003800000000 ] - [ 0.0000750200000000, -0.0000000100000000, 0.0000003100000000 ] - [ -0.0019794000000000, 0.0000023900000000, -0.0000017200000000 ] - [ 0.0002281400000000, -0.0000022300000000, 0.0000029300000000 ] - [ -0.0019794000000000, -0.0000023900000000, -0.0000017200000000 ] - [ 0.0002281400000000, 0.0000022300000000, 0.0000029300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0039140700000000, 0.0039140700000000, -0.0000166300000000 ] - [ 0.0039142400000000, 0.0039137500000000, -0.0000572500000000 ] - [ 0.0039137500000000, 0.0039142400000000, -0.0000572500000000 ] - [ 0.0039852700000000, 0.0039852700000000, 0.0112962100000000 ] - [ 0.0039156300000000, 0.0039156300000000, -0.0000048000000000 ] - [ 0.0039227500000000, 0.0039229400000000, 0.0000004600000000 ] - [ 0.0039229400000000, 0.0039227500000000, 0.0000004600000000 ] - [ 0.0038654100000000, 0.0038654100000000, 0.0001130100000000 ] - [ 0.0039137400000000, 0.0039137400000000, 0.0000106100000000 ] - [ 0.0039139000000000, 0.0039133600000000, 0.0000122700000000 ] - [ 0.0039133600000000, 0.0039139000000000, 0.0000122700000000 ] - [ 0.0039137100000000, 0.0039137100000000, 0.0000125500000000 ] - [ 0.0039114400000000, 0.0039114400000000, -0.0000055800000000 ] - [ 0.0039045800000000, 0.0039039700000000, -0.0000007800000000 ] - [ 0.0039039700000000, 0.0039045800000000, -0.0000007800000000 ] - [ 0.0039613000000000, 0.0039613000000000, 0.0001128200000000 ] - [ -0.0039142400000000, 0.0039137500000000, -0.0000572500000000 ] - [ -0.0039140700000000, 0.0039140700000000, -0.0000166300000000 ] - [ -0.0039852700000000, 0.0039852700000000, 0.0112962100000000 ] - [ -0.0039137500000000, 0.0039142400000000, -0.0000572500000000 ] - [ -0.0039227500000000, 0.0039229400000000, 0.0000004600000000 ] - [ -0.0039156300000000, 0.0039156300000000, -0.0000048000000000 ] - [ -0.0038654100000000, 0.0038654100000000, 0.0001130100000000 ] - [ -0.0039229400000000, 0.0039227500000000, 0.0000004600000000 ] - [ -0.0039139000000000, 0.0039133600000000, 0.0000122700000000 ] - [ -0.0039137400000000, 0.0039137400000000, 0.0000106100000000 ] - [ -0.0039137100000000, 0.0039137100000000, 0.0000125500000000 ] - [ -0.0039133600000000, 0.0039139000000000, 0.0000122700000000 ] - [ -0.0039045800000000, 0.0039039700000000, -0.0000007800000000 ] - [ -0.0039114400000000, 0.0039114400000000, -0.0000055800000000 ] - [ -0.0039613000000000, 0.0039613000000000, 0.0001128200000000 ] - [ -0.0039039700000000, 0.0039045800000000, -0.0000007800000000 ] - [ 0.0039137500000000, -0.0039142400000000, -0.0000572500000000 ] - [ 0.0039852700000000, -0.0039852700000000, 0.0112962100000000 ] - [ 0.0039140700000000, -0.0039140700000000, -0.0000166300000000 ] - [ 0.0039142400000000, -0.0039137500000000, -0.0000572500000000 ] - [ 0.0039229400000000, -0.0039227500000000, 0.0000004600000000 ] - [ 0.0038654100000000, -0.0038654100000000, 0.0001130100000000 ] - [ 0.0039156300000000, -0.0039156300000000, -0.0000048000000000 ] - [ 0.0039227500000000, -0.0039229400000000, 0.0000004600000000 ] - [ 0.0039133600000000, -0.0039139000000000, 0.0000122700000000 ] - [ 0.0039137100000000, -0.0039137100000000, 0.0000125500000000 ] - [ 0.0039137400000000, -0.0039137400000000, 0.0000106100000000 ] - [ 0.0039139000000000, -0.0039133600000000, 0.0000122700000000 ] - [ 0.0039039700000000, -0.0039045800000000, -0.0000007800000000 ] - [ 0.0039613000000000, -0.0039613000000000, 0.0001128200000000 ] - [ 0.0039114400000000, -0.0039114400000000, -0.0000055800000000 ] - [ 0.0039045800000000, -0.0039039700000000, -0.0000007800000000 ] - [ -0.0039852700000000, -0.0039852700000000, 0.0112962100000000 ] - [ -0.0039137500000000, -0.0039142400000000, -0.0000572500000000 ] - [ -0.0039142400000000, -0.0039137500000000, -0.0000572500000000 ] - [ -0.0039140700000000, -0.0039140700000000, -0.0000166300000000 ] - [ -0.0038654100000000, -0.0038654100000000, 0.0001130100000000 ] - [ -0.0039229400000000, -0.0039227500000000, 0.0000004600000000 ] - [ -0.0039227500000000, -0.0039229400000000, 0.0000004600000000 ] - [ -0.0039156300000000, -0.0039156300000000, -0.0000048000000000 ] - [ -0.0039137100000000, -0.0039137100000000, 0.0000125500000000 ] - [ -0.0039133600000000, -0.0039139000000000, 0.0000122700000000 ] - [ -0.0039139000000000, -0.0039133600000000, 0.0000122700000000 ] - [ -0.0039137400000000, -0.0039137400000000, 0.0000106100000000 ] - [ -0.0039613000000000, -0.0039613000000000, 0.0001128200000000 ] - [ -0.0039039700000000, -0.0039045800000000, -0.0000007800000000 ] - [ -0.0039045800000000, -0.0039039700000000, -0.0000007800000000 ] - [ -0.0039114400000000, -0.0039114400000000, -0.0000055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000061700000000 ] - [ 0.0000600800000000, 0.0000000000000000, -0.0000436100000000 ] - [ -0.0000600800000000, 0.0000000000000000, -0.0000436100000000 ] - [ -0.0000016900000000, 0.0000000000000000, 0.0000287100000000 ] - [ 0.0000016900000000, 0.0000000000000000, 0.0000287100000000 ] - [ 0.0000068200000000, 0.0000000000000000, -0.0000405300000000 ] - [ -0.0000068200000000, 0.0000000000000000, -0.0000405300000000 ] - [ -0.0000062200000000, 0.0000000000000000, -0.0000272500000000 ] - [ 0.0000062200000000, 0.0000000000000000, -0.0000272500000000 ] - [ -0.0000042000000000, 0.0000000000000000, -0.0000409800000000 ] - [ 0.0000042000000000, 0.0000000000000000, -0.0000409800000000 ] - [ 0.0000066000000000, 0.0000000000000000, -0.0000262300000000 ] - [ -0.0000066000000000, 0.0000000000000000, -0.0000262300000000 ] - [ -0.0000569900000000, 0.0000000000000000, -0.0000381800000000 ] - [ 0.0000569900000000, 0.0000000000000000, -0.0000381800000000 ] - [ 0.0000015000000000, 0.0000000000000000, 0.0000308200000000 ] - [ -0.0000015000000000, 0.0000000000000000, 0.0000308200000000 ] - [ 0.0000000000000000, 0.0000600800000000, -0.0000436100000000 ] - [ 0.0000000000000000, -0.0000016900000000, 0.0000287100000000 ] - [ 0.0000000000000000, -0.0000600800000000, -0.0000436100000000 ] - [ 0.0000000000000000, 0.0000016900000000, 0.0000287100000000 ] - [ 0.0000000000000000, 0.0000068200000000, -0.0000405300000000 ] - [ 0.0000000000000000, -0.0000062200000000, -0.0000272500000000 ] - [ 0.0000000000000000, -0.0000068200000000, -0.0000405300000000 ] - [ 0.0000000000000000, 0.0000062200000000, -0.0000272500000000 ] - [ 0.0000000000000000, -0.0000042000000000, -0.0000409800000000 ] - [ 0.0000000000000000, 0.0000066000000000, -0.0000262300000000 ] - [ 0.0000000000000000, 0.0000042000000000, -0.0000409800000000 ] - [ 0.0000000000000000, -0.0000066000000000, -0.0000262300000000 ] - [ 0.0000000000000000, -0.0000569900000000, -0.0000381800000000 ] - [ 0.0000000000000000, 0.0000015000000000, 0.0000308200000000 ] - [ 0.0000000000000000, 0.0000569900000000, -0.0000381800000000 ] - [ 0.0000000000000000, -0.0000015000000000, 0.0000308200000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041021700000000, 0.0036729600000000, 0.0000903900000000 ] - [ 0.0036369400000000, 0.0041564200000000, -0.0001140100000000 ] - [ 0.0051015900000000, 0.0024154400000000, -0.0010914900000000 ] - [ 0.0031487500000000, 0.0035498900000000, -0.0000670300000000 ] - [ 0.0041021700000000, 0.0036729600000000, -0.0000903900000000 ] - [ 0.0036369400000000, 0.0041564200000000, 0.0001140100000000 ] - [ 0.0051015900000000, 0.0024154400000000, 0.0010914900000000 ] - [ 0.0031487500000000, 0.0035498900000000, 0.0000670300000000 ] - [ 0.0040825800000000, 0.0037823900000000, -0.0000966500000000 ] - [ 0.0037210400000000, 0.0040910500000000, 0.0001453300000000 ] - [ 0.0041063100000000, 0.0037754900000000, -0.0000775600000000 ] - [ 0.0037360200000000, 0.0040256400000000, 0.0000878300000000 ] - [ 0.0040825800000000, 0.0037823900000000, 0.0000966500000000 ] - [ 0.0037210400000000, 0.0040910500000000, -0.0001453300000000 ] - [ 0.0041063100000000, 0.0037754900000000, 0.0000775600000000 ] - [ 0.0037360200000000, 0.0040256400000000, -0.0000878300000000 ] - [ -0.0037239800000000, 0.0041524900000000, -0.0000900100000000 ] - [ -0.0041887700000000, 0.0036688400000000, 0.0001146000000000 ] - [ -0.0027700500000000, 0.0053606200000000, 0.0010285300000000 ] - [ -0.0046750800000000, 0.0042751300000000, 0.0000684000000000 ] - [ -0.0037239800000000, 0.0041524900000000, 0.0000900100000000 ] - [ -0.0041887700000000, 0.0036688400000000, -0.0001146000000000 ] - [ -0.0027700500000000, 0.0053606200000000, -0.0010285300000000 ] - [ -0.0046750800000000, 0.0042751300000000, -0.0000684000000000 ] - [ -0.0037434300000000, 0.0040436500000000, 0.0000966600000000 ] - [ -0.0041050500000000, 0.0037354600000000, -0.0001451000000000 ] - [ -0.0037194300000000, 0.0040497900000000, 0.0000778100000000 ] - [ -0.0040888700000000, 0.0038000300000000, -0.0000881300000000 ] - [ -0.0037434300000000, 0.0040436500000000, -0.0000966600000000 ] - [ -0.0041050500000000, 0.0037354600000000, 0.0001451000000000 ] - [ -0.0037194300000000, 0.0040497900000000, -0.0000778100000000 ] - [ -0.0040888700000000, 0.0038000300000000, 0.0000881300000000 ] - [ 0.0051015900000000, -0.0024154400000000, -0.0010914900000000 ] - [ 0.0031487500000000, -0.0035498900000000, -0.0000670300000000 ] - [ 0.0041021700000000, -0.0036729600000000, 0.0000903900000000 ] - [ 0.0036369400000000, -0.0041564200000000, -0.0001140100000000 ] - [ 0.0051015900000000, -0.0024154400000000, 0.0010914900000000 ] - [ 0.0031487500000000, -0.0035498900000000, 0.0000670300000000 ] - [ 0.0041021700000000, -0.0036729600000000, -0.0000903900000000 ] - [ 0.0036369400000000, -0.0041564200000000, 0.0001140100000000 ] - [ 0.0041063100000000, -0.0037754900000000, -0.0000775600000000 ] - [ 0.0037360200000000, -0.0040256400000000, 0.0000878300000000 ] - [ 0.0040825800000000, -0.0037823900000000, -0.0000966500000000 ] - [ 0.0037210400000000, -0.0040910500000000, 0.0001453300000000 ] - [ 0.0041063100000000, -0.0037754900000000, 0.0000775600000000 ] - [ 0.0037360200000000, -0.0040256400000000, -0.0000878300000000 ] - [ 0.0040825800000000, -0.0037823900000000, 0.0000966500000000 ] - [ 0.0037210400000000, -0.0040910500000000, -0.0001453300000000 ] - [ -0.0027700500000000, -0.0053606200000000, 0.0010285300000000 ] - [ -0.0046750800000000, -0.0042751300000000, 0.0000684000000000 ] - [ -0.0037239800000000, -0.0041524900000000, -0.0000900100000000 ] - [ -0.0041887700000000, -0.0036688400000000, 0.0001146000000000 ] - [ -0.0027700500000000, -0.0053606200000000, -0.0010285300000000 ] - [ -0.0046750800000000, -0.0042751300000000, -0.0000684000000000 ] - [ -0.0037239800000000, -0.0041524900000000, 0.0000900100000000 ] - [ -0.0041887700000000, -0.0036688400000000, -0.0001146000000000 ] - [ -0.0037194300000000, -0.0040497900000000, 0.0000778100000000 ] - [ -0.0040888700000000, -0.0038000300000000, -0.0000881300000000 ] - [ -0.0037434300000000, -0.0040436500000000, 0.0000966600000000 ] - [ -0.0041050500000000, -0.0037354600000000, -0.0001451000000000 ] - [ -0.0037194300000000, -0.0040497900000000, -0.0000778100000000 ] - [ -0.0040888700000000, -0.0038000300000000, 0.0000881300000000 ] - [ -0.0037434300000000, -0.0040436500000000, -0.0000966600000000 ] - [ -0.0041050500000000, -0.0037354600000000, 0.0001451000000000 ] - [ 0.0019918000000000, 0.0000000000000000, 0.0000545400000000 ] - [ 0.0020035000000000, 0.0000000000000000, -0.0000622900000000 ] - [ 0.0000637700000000, 0.0000000000000000, -0.0000021400000000 ] - [ 0.0000630800000000, 0.0000000000000000, 0.0000019700000000 ] - [ 0.0019918000000000, 0.0000000000000000, -0.0000545400000000 ] - [ 0.0020035000000000, 0.0000000000000000, 0.0000622900000000 ] - [ 0.0000637700000000, 0.0000000000000000, 0.0000021400000000 ] - [ 0.0000630800000000, 0.0000000000000000, -0.0000019700000000 ] - [ 0.0000030200000000, 0.0000000000000000, -0.0000055900000000 ] - [ 0.0000027400000000, 0.0000000000000000, 0.0000056600000000 ] - [ -0.0000254200000000, 0.0000000000000000, 0.0000063400000000 ] - [ -0.0000254200000000, 0.0000000000000000, -0.0000063400000000 ] - [ 0.0000030200000000, 0.0000000000000000, 0.0000055900000000 ] - [ 0.0000027400000000, 0.0000000000000000, -0.0000056600000000 ] - [ -0.0000254200000000, 0.0000000000000000, -0.0000063400000000 ] - [ -0.0000254200000000, 0.0000000000000000, 0.0000063400000000 ] - [ -0.0149092100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017778800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007139100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006970800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024296600000000, 0.0000000000000000, -0.0000052500000000 ] - [ 0.0011261900000000, 0.0000000000000000, 0.0000009500000000 ] - [ -0.0005291300000000, 0.0000000000000000, 0.0000001000000000 ] - [ 0.0005333800000000, 0.0000000000000000, 0.0000002700000000 ] - [ -0.0004423900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004291700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003625800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004221500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024296600000000, 0.0000000000000000, 0.0000052500000000 ] - [ 0.0011261900000000, 0.0000000000000000, -0.0000009500000000 ] - [ -0.0005291300000000, 0.0000000000000000, -0.0000001000000000 ] - [ 0.0005333800000000, 0.0000000000000000, -0.0000002700000000 ] - [ 0.0007047500000000, -0.0013427300000000, 0.0000000000000000 ] - [ 0.0007044500000000, 0.0013466400000000, 0.0000000000000000 ] - [ 0.0007047500000000, 0.0013427300000000, 0.0000000000000000 ] - [ 0.0007044500000000, -0.0013466400000000, 0.0000000000000000 ] - [ 0.0002827600000000, -0.0006041700000000, -0.0007967900000000 ] - [ 0.0002813000000000, 0.0006038100000000, 0.0007962000000000 ] - [ 0.0002827600000000, 0.0006041700000000, -0.0007967900000000 ] - [ 0.0002813000000000, -0.0006038100000000, 0.0007962000000000 ] - [ -0.0000027500000000, -0.0000340500000000, 0.0000000000000000 ] - [ -0.0000029600000000, 0.0000344800000000, 0.0000000000000000 ] - [ -0.0000027500000000, 0.0000340500000000, 0.0000000000000000 ] - [ -0.0000029600000000, -0.0000344800000000, 0.0000000000000000 ] - [ 0.0002827600000000, -0.0006041700000000, 0.0007967900000000 ] - [ 0.0002813000000000, 0.0006038100000000, -0.0007962000000000 ] - [ 0.0002827600000000, 0.0006041700000000, 0.0007967900000000 ] - [ 0.0002813000000000, -0.0006038100000000, -0.0007962000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038467500000000, 0.0036873900000000, 0.0000327500000000 ] - [ 0.0039474000000000, 0.0037034400000000, 0.0000787200000000 ] - [ 0.0033080600000000, 0.0058113800000000, 0.0011805600000000 ] - [ 0.0041859000000000, 0.0044244400000000, -0.0000810200000000 ] - [ 0.0038467500000000, 0.0036873900000000, -0.0000327500000000 ] - [ 0.0039474000000000, 0.0037034400000000, -0.0000787200000000 ] - [ 0.0033080600000000, 0.0058113800000000, -0.0011805600000000 ] - [ 0.0041859000000000, 0.0044244400000000, 0.0000810200000000 ] - [ 0.0039362200000000, 0.0038362600000000, -0.0000413200000000 ] - [ 0.0039646900000000, 0.0037983100000000, -0.0000818300000000 ] - [ 0.0038681500000000, 0.0039948400000000, 0.0000369900000000 ] - [ 0.0038929400000000, 0.0039847000000000, 0.0000426300000000 ] - [ 0.0039362200000000, 0.0038362600000000, 0.0000413200000000 ] - [ 0.0039646900000000, 0.0037983100000000, 0.0000818300000000 ] - [ 0.0038681500000000, 0.0039948400000000, -0.0000369900000000 ] - [ 0.0038929400000000, 0.0039847000000000, -0.0000426300000000 ] - [ -0.0038467500000000, 0.0036873900000000, 0.0000327500000000 ] - [ -0.0039474000000000, 0.0037034400000000, 0.0000787200000000 ] - [ -0.0033080600000000, 0.0058113800000000, 0.0011805600000000 ] - [ -0.0041859000000000, 0.0044244400000000, -0.0000810200000000 ] - [ -0.0038467500000000, 0.0036873900000000, -0.0000327500000000 ] - [ -0.0039474000000000, 0.0037034400000000, -0.0000787200000000 ] - [ -0.0033080600000000, 0.0058113800000000, -0.0011805600000000 ] - [ -0.0041859000000000, 0.0044244400000000, 0.0000810200000000 ] - [ -0.0039362200000000, 0.0038362600000000, -0.0000413200000000 ] - [ -0.0039646900000000, 0.0037983100000000, -0.0000818300000000 ] - [ -0.0038681500000000, 0.0039948400000000, 0.0000369900000000 ] - [ -0.0038929400000000, 0.0039847000000000, 0.0000426300000000 ] - [ -0.0039362200000000, 0.0038362600000000, 0.0000413200000000 ] - [ -0.0039646900000000, 0.0037983100000000, 0.0000818300000000 ] - [ -0.0038681500000000, 0.0039948400000000, -0.0000369900000000 ] - [ -0.0038929400000000, 0.0039847000000000, -0.0000426300000000 ] - [ 0.0045563300000000, -0.0019825000000000, -0.0012277800000000 ] - [ 0.0036382500000000, -0.0033995100000000, 0.0000809900000000 ] - [ 0.0039778300000000, -0.0041375300000000, -0.0000323200000000 ] - [ 0.0038785700000000, -0.0041220500000000, -0.0000781100000000 ] - [ 0.0045563300000000, -0.0019825000000000, 0.0012277800000000 ] - [ 0.0036382500000000, -0.0033995100000000, -0.0000809900000000 ] - [ 0.0039778300000000, -0.0041375300000000, 0.0000323200000000 ] - [ 0.0038785700000000, -0.0041220500000000, 0.0000781100000000 ] - [ 0.0039568300000000, -0.0038297500000000, -0.0000368900000000 ] - [ 0.0039317500000000, -0.0038401400000000, -0.0000427300000000 ] - [ 0.0038886900000000, -0.0039892200000000, 0.0000412000000000 ] - [ 0.0038606800000000, -0.0040275200000000, 0.0000819900000000 ] - [ 0.0039568300000000, -0.0038297500000000, 0.0000368900000000 ] - [ 0.0039317500000000, -0.0038401400000000, 0.0000427300000000 ] - [ 0.0038886900000000, -0.0039892200000000, -0.0000412000000000 ] - [ 0.0038606800000000, -0.0040275200000000, -0.0000819900000000 ] - [ -0.0045563300000000, -0.0019825000000000, -0.0012277800000000 ] - [ -0.0036382500000000, -0.0033995100000000, 0.0000809900000000 ] - [ -0.0039778300000000, -0.0041375300000000, -0.0000323200000000 ] - [ -0.0038785700000000, -0.0041220500000000, -0.0000781100000000 ] - [ -0.0045563300000000, -0.0019825000000000, 0.0012277800000000 ] - [ -0.0036382500000000, -0.0033995100000000, -0.0000809900000000 ] - [ -0.0039778300000000, -0.0041375300000000, 0.0000323200000000 ] - [ -0.0038785700000000, -0.0041220500000000, 0.0000781100000000 ] - [ -0.0039568300000000, -0.0038297500000000, -0.0000368900000000 ] - [ -0.0039317500000000, -0.0038401400000000, -0.0000427300000000 ] - [ -0.0038886900000000, -0.0039892200000000, 0.0000412000000000 ] - [ -0.0038606800000000, -0.0040275200000000, 0.0000819900000000 ] - [ -0.0039568300000000, -0.0038297500000000, 0.0000368900000000 ] - [ -0.0039317500000000, -0.0038401400000000, 0.0000427300000000 ] - [ -0.0038886900000000, -0.0039892200000000, -0.0000412000000000 ] - [ -0.0038606800000000, -0.0040275200000000, -0.0000819900000000 ] - [ 0.0000023000000000, -0.0019803800000000, 0.0000030300000000 ] - [ -0.0000023000000000, -0.0019803800000000, 0.0000030300000000 ] - [ -0.0000002200000000, 0.0002268500000000, 0.0000003900000000 ] - [ 0.0000002200000000, 0.0002268500000000, 0.0000003900000000 ] - [ 0.0000023000000000, -0.0019803800000000, -0.0000030300000000 ] - [ -0.0000023000000000, -0.0019803800000000, -0.0000030300000000 ] - [ -0.0000002200000000, 0.0002268500000000, -0.0000003900000000 ] - [ 0.0000002200000000, 0.0002268500000000, -0.0000003900000000 ] - [ 0.0000002000000000, -0.0000621700000000, -0.0000000700000000 ] - [ -0.0000002000000000, -0.0000621700000000, -0.0000000700000000 ] - [ 0.0000000700000000, 0.0000738900000000, -0.0000000900000000 ] - [ -0.0000000700000000, 0.0000738900000000, -0.0000000900000000 ] - [ 0.0000002000000000, -0.0000621700000000, 0.0000000700000000 ] - [ -0.0000002000000000, -0.0000621700000000, 0.0000000700000000 ] - [ 0.0000000700000000, 0.0000738900000000, 0.0000000900000000 ] - [ -0.0000000700000000, 0.0000738900000000, 0.0000000900000000 ] - [ 0.0000000000000000, -0.0121442600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000726100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004560300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001492000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013108500000000, -0.0000034700000000 ] - [ 0.0000000000000000, -0.0000598100000000, 0.0000003200000000 ] - [ 0.0000000000000000, 0.0001716200000000, 0.0000007300000000 ] - [ 0.0000000000000000, 0.0001062200000000, 0.0000005200000000 ] - [ 0.0000000000000000, -0.0000782200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000679200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000755600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001305300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013108500000000, 0.0000034700000000 ] - [ 0.0000000000000000, -0.0000598100000000, -0.0000003200000000 ] - [ 0.0000000000000000, 0.0001716200000000, -0.0000007300000000 ] - [ 0.0000000000000000, 0.0001062200000000, -0.0000005200000000 ] - [ -0.0009315000000000, 0.0007046000000000, 0.0000000000000000 ] - [ 0.0009315000000000, 0.0007046000000000, 0.0000000000000000 ] - [ 0.0009273300000000, 0.0007034900000000, 0.0000000000000000 ] - [ -0.0009273300000000, 0.0007034900000000, 0.0000000000000000 ] - [ -0.0002961100000000, 0.0002807900000000, 0.0003749300000000 ] - [ 0.0002961100000000, 0.0002807900000000, 0.0003749300000000 ] - [ 0.0002968700000000, 0.0002821500000000, -0.0003752000000000 ] - [ -0.0002968700000000, 0.0002821500000000, -0.0003752000000000 ] - [ -0.0000052200000000, -0.0000034500000000, 0.0000000000000000 ] - [ 0.0000052200000000, -0.0000034500000000, 0.0000000000000000 ] - [ 0.0000053800000000, -0.0000033400000000, 0.0000000000000000 ] - [ -0.0000053800000000, -0.0000033400000000, 0.0000000000000000 ] - [ -0.0002961100000000, 0.0002807900000000, -0.0003749300000000 ] - [ 0.0002961100000000, 0.0002807900000000, -0.0003749300000000 ] - [ 0.0002968700000000, 0.0002821500000000, 0.0003752000000000 ] - [ -0.0002968700000000, 0.0002821500000000, 0.0003752000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0039930600000000, 0.0040037200000000, 0.0002341900000000 ] - [ 0.0038955300000000, 0.0038989100000000, 0.0002798700000000 ] - [ 0.0033401400000000, 0.0053342300000000, 0.0018160800000000 ] - [ 0.0032954300000000, 0.0032784800000000, 0.0003322000000000 ] - [ 0.0038329100000000, 0.0038218300000000, 0.0002343200000000 ] - [ 0.0039301900000000, 0.0039265800000000, 0.0002798100000000 ] - [ 0.0045491700000000, 0.0024318600000000, 0.0018835200000000 ] - [ 0.0045293500000000, 0.0045468300000000, 0.0003317300000000 ] - [ 0.0039761900000000, 0.0038305700000000, -0.0002521600000000 ] - [ 0.0040187500000000, 0.0037898300000000, -0.0003090100000000 ] - [ 0.0036375800000000, 0.0040934600000000, -0.0006459900000000 ] - [ 0.0039714800000000, 0.0039707600000000, -0.0003293000000000 ] - [ 0.0038496200000000, 0.0039951100000000, -0.0002525100000000 ] - [ 0.0038073500000000, 0.0040362700000000, -0.0003096300000000 ] - [ 0.0041850600000000, 0.0037340400000000, -0.0006440900000000 ] - [ 0.0038542600000000, 0.0038552600000000, -0.0003296300000000 ] - [ -0.0039930600000000, 0.0040037200000000, 0.0002341900000000 ] - [ -0.0038955300000000, 0.0038989100000000, 0.0002798700000000 ] - [ -0.0033401400000000, 0.0053342300000000, 0.0018160800000000 ] - [ -0.0032954300000000, 0.0032784800000000, 0.0003322000000000 ] - [ -0.0038329100000000, 0.0038218300000000, 0.0002343200000000 ] - [ -0.0039301900000000, 0.0039265800000000, 0.0002798100000000 ] - [ -0.0045491700000000, 0.0024318600000000, 0.0018835200000000 ] - [ -0.0045293500000000, 0.0045468300000000, 0.0003317300000000 ] - [ -0.0039761900000000, 0.0038305700000000, -0.0002521600000000 ] - [ -0.0040187500000000, 0.0037898300000000, -0.0003090100000000 ] - [ -0.0036375800000000, 0.0040934600000000, -0.0006459900000000 ] - [ -0.0039714800000000, 0.0039707600000000, -0.0003293000000000 ] - [ -0.0038496200000000, 0.0039951100000000, -0.0002525100000000 ] - [ -0.0038073500000000, 0.0040362700000000, -0.0003096300000000 ] - [ -0.0041850600000000, 0.0037340400000000, -0.0006440900000000 ] - [ -0.0038542600000000, 0.0038552600000000, -0.0003296300000000 ] - [ 0.0033401400000000, -0.0053342300000000, 0.0018160800000000 ] - [ 0.0032954300000000, -0.0032784800000000, 0.0003322000000000 ] - [ 0.0039930600000000, -0.0040037200000000, 0.0002341900000000 ] - [ 0.0038955300000000, -0.0038989100000000, 0.0002798700000000 ] - [ 0.0045491700000000, -0.0024318600000000, 0.0018835200000000 ] - [ 0.0045293500000000, -0.0045468300000000, 0.0003317300000000 ] - [ 0.0038329100000000, -0.0038218300000000, 0.0002343200000000 ] - [ 0.0039301900000000, -0.0039265800000000, 0.0002798100000000 ] - [ 0.0036375800000000, -0.0040934600000000, -0.0006459900000000 ] - [ 0.0039714800000000, -0.0039707600000000, -0.0003293000000000 ] - [ 0.0039761900000000, -0.0038305700000000, -0.0002521600000000 ] - [ 0.0040187500000000, -0.0037898300000000, -0.0003090100000000 ] - [ 0.0041850600000000, -0.0037340400000000, -0.0006440900000000 ] - [ 0.0038542600000000, -0.0038552600000000, -0.0003296300000000 ] - [ 0.0038496200000000, -0.0039951100000000, -0.0002525100000000 ] - [ 0.0038073500000000, -0.0040362700000000, -0.0003096300000000 ] - [ -0.0033401400000000, -0.0053342300000000, 0.0018160800000000 ] - [ -0.0032954300000000, -0.0032784800000000, 0.0003322000000000 ] - [ -0.0039930600000000, -0.0040037200000000, 0.0002341900000000 ] - [ -0.0038955300000000, -0.0038989100000000, 0.0002798700000000 ] - [ -0.0045491700000000, -0.0024318600000000, 0.0018835200000000 ] - [ -0.0045293500000000, -0.0045468300000000, 0.0003317300000000 ] - [ -0.0038329100000000, -0.0038218300000000, 0.0002343200000000 ] - [ -0.0039301900000000, -0.0039265800000000, 0.0002798100000000 ] - [ -0.0036375800000000, -0.0040934600000000, -0.0006459900000000 ] - [ -0.0039714800000000, -0.0039707600000000, -0.0003293000000000 ] - [ -0.0039761900000000, -0.0038305700000000, -0.0002521600000000 ] - [ -0.0040187500000000, -0.0037898300000000, -0.0003090100000000 ] - [ -0.0041850600000000, -0.0037340400000000, -0.0006440900000000 ] - [ -0.0038542600000000, -0.0038552600000000, -0.0003296300000000 ] - [ -0.0038496200000000, -0.0039951100000000, -0.0002525100000000 ] - [ -0.0038073500000000, -0.0040362700000000, -0.0003096300000000 ] - [ 0.0018515600000000, 0.0000000000000000, -0.0000402000000000 ] - [ -0.0018515600000000, 0.0000000000000000, -0.0000402000000000 ] - [ 0.0001401600000000, 0.0000000000000000, 0.0000301700000000 ] - [ -0.0001401600000000, 0.0000000000000000, 0.0000301700000000 ] - [ -0.0018594300000000, 0.0000000000000000, -0.0000383100000000 ] - [ 0.0018594300000000, 0.0000000000000000, -0.0000383100000000 ] - [ -0.0001397500000000, 0.0000000000000000, 0.0000302800000000 ] - [ 0.0001397500000000, 0.0000000000000000, 0.0000302800000000 ] - [ -0.0001357900000000, 0.0000000000000000, -0.0000396200000000 ] - [ 0.0001357900000000, 0.0000000000000000, -0.0000396200000000 ] - [ 0.0000018100000000, 0.0000000000000000, -0.0000259400000000 ] - [ -0.0000018100000000, 0.0000000000000000, -0.0000259400000000 ] - [ 0.0001348200000000, 0.0000000000000000, -0.0000395800000000 ] - [ -0.0001348200000000, 0.0000000000000000, -0.0000395800000000 ] - [ -0.0000017500000000, 0.0000000000000000, -0.0000260000000000 ] - [ 0.0000017500000000, 0.0000000000000000, -0.0000260000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0186927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019059800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005513500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011898500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205200000000 ] - [ 0.0000013700000000, -0.0000007200000000, -0.0021059400000000 ] - [ -0.0000013700000000, -0.0000007200000000, -0.0021059400000000 ] - [ 0.0000013700000000, 0.0000007200000000, -0.0021059400000000 ] - [ -0.0000013700000000, 0.0000007200000000, -0.0021059400000000 ] - [ -0.0003746700000000, 0.0007962900000000, 0.0007207400000000 ] - [ 0.0003746700000000, 0.0007962900000000, 0.0007207400000000 ] - [ -0.0003746700000000, -0.0007962900000000, 0.0007207400000000 ] - [ 0.0003746700000000, -0.0007962900000000, 0.0007207400000000 ] - [ -0.0000002500000000, 0.0000006800000000, 0.0007601500000000 ] - [ 0.0000002500000000, 0.0000006800000000, 0.0007601500000000 ] - [ -0.0000002500000000, -0.0000006800000000, 0.0007601500000000 ] - [ 0.0000002500000000, -0.0000006800000000, 0.0007601500000000 ] - [ 0.0003754900000000, -0.0007967100000000, 0.0007225500000000 ] - [ -0.0003754900000000, -0.0007967100000000, 0.0007225500000000 ] - [ 0.0003754900000000, 0.0007967100000000, 0.0007225500000000 ] - [ -0.0003754900000000, 0.0007967100000000, 0.0007225500000000 ]