# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0b0e3849-b5e7-4ae9-8acc-e5aad5017c26/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 Ba2ZnF6 / I4/mmm (139) / materials id 7739](https://mdr.nims.go.jp/datasets/251812a6-1076-4d52-9f89-e9f11c42b87a) ## 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: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.061415550000000, 2.061415550000000, 7.966083730000000 ] # a - [ 2.061415550000000, -2.061415550000000, 7.966083730000000 ] # b - [ 2.061415550000000, 2.061415550000000, -7.966083730000000 ] # c points: - symbol: F # 1 coordinates: [ 0.377978170000000, 0.377978170000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.622021830000000, 0.622021830000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 - symbol: Zn # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: Ba # 8 coordinates: [ 0.150587420000000, 0.150587420000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.849412580000000, 0.849412580000000, 0.000000000000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.242551774677357, 0.062766098995045 ] # a* - [ 0.242551774677357, 0.000000000000000, 0.062766098995045 ] # b* - [ 0.242551774677357, 0.242551774677357, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.122831100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.122831100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.932167460000001 ] # c points: - symbol: F # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.377978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.122021830000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.877978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.622021830000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 6 - symbol: Zn # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150587420000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.349412580000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.650587420000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849412580000000 ] mass: 137.327000 reduced_to: 16supercell: lattice: - [ 8.245662200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.245662200000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.932167460000001 ] # c points: - symbol: F # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.377978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.377978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.377978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.377978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.250000000000000, 0.250000000000000, 0.122021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.122021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.250000000000000, 0.750000000000000, 0.122021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 8 coordinates: [ 0.750000000000000, 0.750000000000000, 0.122021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 25 coordinates: [ 0.250000000000000, 0.250000000000000, 0.877978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 26 coordinates: [ 0.750000000000000, 0.250000000000000, 0.877978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.877978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.877978170000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.622021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.622021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.622021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.622021830000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 33 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 34 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 35 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 36 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 37 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 38 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 39 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 40 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 41 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 42 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 43 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 44 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 45 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 46 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 47 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 48 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 21 - symbol: Zn # 49 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 51 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 52 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Ba # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.150587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.150587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.150587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 61 coordinates: [ 0.250000000000000, 0.250000000000000, 0.349412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.750000000000000, 0.250000000000000, 0.349412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 63 coordinates: [ 0.250000000000000, 0.750000000000000, 0.349412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 64 coordinates: [ 0.750000000000000, 0.750000000000000, 0.349412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.650587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.650587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.650587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.650587420000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.849412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.849412580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.849412580000000 ] mass: 137.327000 reduced_to: 61born_effective_charge:- # 1 (F) - [ -1.197749290000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.197749290000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.231575290000000 ]- # 2 (F) - [ -1.197749290000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.197749290000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.231575290000000 ]- # 3 (F) - [ -0.979517280000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.688141790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.099750310000000 ]- # 4 (F) - [ -1.310596950000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.310596950000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.380981660000000 ]- # 5 (F) - [ -1.310596950000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.310596950000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.380981660000000 ]- # 6 (F) - [ -1.688141790000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.979517280000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.099750310000000 ]- # 7 (Zn) - [ 2.253989320000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.253989320000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.199676850000000 ]- # 8 (Ba) - [ 2.715181100000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.715181100000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.612468830000000 ]- # 9 (Ba) - [ 2.715181100000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.715181100000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.612468830000000 ]dielectric_constant: - [ 2.689952810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.689952810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.639394180000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0204563300000000, 0.0000000000000000, 0.0003456200000000 ] - [ 0.0029034800000000, 0.0000000000000000, 0.0001452800000000 ] - [ -0.0015381400000000, 0.0000000000000000, 0.0001442000000000 ] - [ 0.0024781300000000, 0.0000000000000000, 0.0001462100000000 ] - [ 0.0000021000000000, 0.0000671800000000, -0.0004687700000000 ] - [ 0.0000047600000000, -0.0000665000000000, 0.0001839800000000 ] - [ 0.0000021000000000, -0.0000671800000000, -0.0004687700000000 ] - [ 0.0000047600000000, 0.0000665000000000, 0.0001839800000000 ] - [ 0.0000053300000000, 0.0000000000000000, -0.0000202800000000 ] - [ 0.0000062800000000, 0.0000000000000000, 0.0000167800000000 ] - [ -0.0000001900000000, 0.0000000000000000, -0.0000384000000000 ] - [ 0.0000007400000000, 0.0000000000000000, 0.0000336300000000 ] - [ 0.0030153700000000, 0.0000000000000000, -0.0052125400000000 ] - [ 0.0029919300000000, 0.0000000000000000, 0.0051511900000000 ] - [ -0.0002539700000000, 0.0000000000000000, -0.0019001600000000 ] - [ -0.0002461600000000, 0.0000000000000000, 0.0018836700000000 ] - [ -0.0023266700000000, -0.0000117500000000, 0.0000115900000000 ] - [ 0.0021577600000000, -0.0000008000000000, -0.0000021800000000 ] - [ -0.0023266700000000, 0.0000117500000000, 0.0000115900000000 ] - [ 0.0021577600000000, 0.0000008000000000, -0.0000021800000000 ] - [ -0.0001088800000000, -0.0000000300000000, -0.0000012400000000 ] - [ 0.0001092400000000, -0.0000001100000000, -0.0000025400000000 ] - [ -0.0001088800000000, 0.0000000300000000, -0.0000012400000000 ] - [ 0.0001092400000000, 0.0000001100000000, -0.0000025400000000 ] - [ 0.0000004700000000, -0.0000016500000000, 0.0001488900000000 ] - [ 0.0000008100000000, 0.0000018900000000, 0.0001283800000000 ] - [ 0.0000004700000000, 0.0000016500000000, 0.0001488900000000 ] - [ 0.0000008100000000, -0.0000018900000000, 0.0001283800000000 ] - [ -0.0010928700000000, 0.0000000000000000, -0.0001330600000000 ] - [ 0.0011176600000000, 0.0000000000000000, -0.0001392300000000 ] - [ -0.0001882500000000, 0.0000000000000000, -0.0001424200000000 ] - [ 0.0002084300000000, 0.0000000000000000, -0.0001386900000000 ] - [ -0.0023796400000000, -0.0000480100000000, -0.0000191000000000 ] - [ 0.0011339500000000, 0.0000002100000000, 0.0000035200000000 ] - [ -0.0023796400000000, 0.0000480100000000, -0.0000191000000000 ] - [ 0.0011339500000000, -0.0000002100000000, 0.0000035200000000 ] - [ -0.0001464700000000, 0.0000000300000000, -0.0000026900000000 ] - [ 0.0001441300000000, -0.0000000300000000, -0.0000021500000000 ] - [ -0.0001464700000000, -0.0000000300000000, -0.0000026900000000 ] - [ 0.0001441300000000, 0.0000000300000000, -0.0000021500000000 ] - [ -0.0000008900000000, 0.0000000000000000, 0.0001111400000000 ] - [ -0.0000001300000000, 0.0000000000000000, -0.0001156200000000 ] - [ 0.0000007700000000, 0.0000000000000000, 0.0001468700000000 ] - [ 0.0000017200000000, 0.0000000000000000, -0.0001509500000000 ] - [ 0.0066963300000000, 0.0000000000000000, 0.0064337800000000 ] - [ 0.0066999900000000, 0.0000000000000000, -0.0063309900000000 ] - [ -0.0000376700000000, 0.0000000000000000, 0.0004798500000000 ] - [ -0.0000241600000000, 0.0000000000000000, -0.0004722000000000 ] - [ 0.0000004000000000, 0.0000059800000000, 0.0001534700000000 ] - [ -0.0000011100000000, -0.0000062000000000, -0.0001480500000000 ] - [ 0.0000004000000000, -0.0000059800000000, 0.0001534700000000 ] - [ -0.0000011100000000, 0.0000062000000000, -0.0001480500000000 ] - [ 0.0057061700000000, 0.0000000000000000, -0.0001688100000000 ] - [ -0.0054864600000000, 0.0000000000000000, -0.0000073500000000 ] - [ 0.0009288100000000, 0.0000000000000000, -0.0000062100000000 ] - [ -0.0009773000000000, 0.0000000000000000, -0.0000084500000000 ] - [ 0.0023701400000000, 0.0000000000000000, 0.0000946800000000 ] - [ -0.0020602600000000, 0.0000000000000000, 0.0001070000000000 ] - [ 0.0010929400000000, 0.0000000000000000, 0.0001023000000000 ] - [ -0.0011326800000000, 0.0000000000000000, 0.0001069900000000 ] - [ 0.0000795500000000, -0.0025778300000000, 0.0016035200000000 ] - [ -0.0000506900000000, 0.0026756000000000, -0.0018328600000000 ] - [ 0.0000795500000000, 0.0025778300000000, 0.0016035200000000 ] - [ -0.0000506900000000, -0.0026756000000000, -0.0018328600000000 ] - [ 0.0000119500000000, -0.0003865100000000, -0.0005789200000000 ] - [ 0.0000026700000000, 0.0003860600000000, 0.0007895400000000 ] - [ 0.0000119500000000, 0.0003865100000000, -0.0005789200000000 ] - [ 0.0000026700000000, -0.0003860600000000, 0.0007895400000000 ] - [ 0.0000959300000000, 0.0000000000000000, -0.0000982700000000 ] - [ -0.0000950800000000, 0.0000000000000000, -0.0000982800000000 ] - [ 0.0001099000000000, 0.0000000000000000, -0.0000979600000000 ] - [ -0.0001081400000000, 0.0000000000000000, -0.0000980800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1109922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018224100000000 ] - [ -0.0003242400000000, -0.0003242400000000, 0.0007316100000000 ] - [ 0.0003242400000000, -0.0003242400000000, 0.0007316100000000 ] - [ -0.0003242400000000, 0.0003242400000000, 0.0007316100000000 ] - [ 0.0003242400000000, 0.0003242400000000, 0.0007316100000000 ] - [ -0.0000874400000000, 0.0000000000000000, 0.0009459300000000 ] - [ 0.0000874400000000, 0.0000000000000000, 0.0009459300000000 ] - [ -0.0000670800000000, 0.0000000000000000, 0.0007722800000000 ] - [ 0.0000670800000000, 0.0000000000000000, 0.0007722800000000 ] - [ -0.0050263000000000, 0.0000000000000000, 0.0030832100000000 ] - [ 0.0050263000000000, 0.0000000000000000, 0.0030832100000000 ] - [ -0.0003090800000000, 0.0000000000000000, -0.0003367100000000 ] - [ 0.0003090800000000, 0.0000000000000000, -0.0003367100000000 ] - [ 0.0000000000000000, -0.0050263000000000, 0.0030832100000000 ] - [ 0.0000000000000000, -0.0003090800000000, -0.0003367100000000 ] - [ 0.0000000000000000, 0.0050263000000000, 0.0030832100000000 ] - [ 0.0000000000000000, 0.0003090800000000, -0.0003367100000000 ] - [ 0.0000000000000000, -0.0000874400000000, 0.0009459300000000 ] - [ 0.0000000000000000, -0.0000670800000000, 0.0007722800000000 ] - [ 0.0000000000000000, 0.0000874400000000, 0.0009459300000000 ] - [ 0.0000000000000000, 0.0000670800000000, 0.0007722800000000 ] - [ -0.0000093900000000, -0.0000093900000000, 0.0011021900000000 ] - [ 0.0000093900000000, -0.0000093900000000, 0.0011021900000000 ] - [ -0.0000093900000000, 0.0000093900000000, 0.0011021900000000 ] - [ 0.0000093900000000, 0.0000093900000000, 0.0011021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016173200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000195100000000 ] - [ 0.0000000000000000, 0.0127566300000000, 0.0028103500000000 ] - [ 0.0000000000000000, 0.0013591100000000, -0.0011222700000000 ] - [ 0.0000000000000000, -0.0127566300000000, 0.0028103500000000 ] - [ 0.0000000000000000, -0.0013591100000000, -0.0011222700000000 ] - [ 0.0000000000000000, 0.0000178200000000, 0.0011094700000000 ] - [ 0.0000000000000000, 0.0000699200000000, 0.0010441700000000 ] - [ 0.0000000000000000, -0.0000178200000000, 0.0011094700000000 ] - [ 0.0000000000000000, -0.0000699200000000, 0.0010441700000000 ] - [ 0.0000178200000000, 0.0000000000000000, 0.0011094700000000 ] - [ -0.0000178200000000, 0.0000000000000000, 0.0011094700000000 ] - [ 0.0000699200000000, 0.0000000000000000, 0.0010441700000000 ] - [ -0.0000699200000000, 0.0000000000000000, 0.0010441700000000 ] - [ 0.0127566300000000, 0.0000000000000000, 0.0028103500000000 ] - [ -0.0127566300000000, 0.0000000000000000, 0.0028103500000000 ] - [ 0.0013591100000000, 0.0000000000000000, -0.0011222700000000 ] - [ -0.0013591100000000, 0.0000000000000000, -0.0011222700000000 ] - [ 0.0001274800000000, 0.0001274800000000, -0.0016902600000000 ] - [ -0.0001274800000000, 0.0001274800000000, -0.0016902600000000 ] - [ 0.0001274800000000, -0.0001274800000000, -0.0016902600000000 ] - [ -0.0001274800000000, -0.0001274800000000, -0.0016902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0815606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004886500000000 ] - [ 0.0024881400000000, 0.0024881400000000, 0.0053168400000000 ] - [ -0.0024881400000000, 0.0024881400000000, 0.0053168400000000 ] - [ 0.0024881400000000, -0.0024881400000000, 0.0053168400000000 ] - [ -0.0024881400000000, -0.0024881400000000, 0.0053168400000000 ] - [ -0.0007798500000000, -0.0007798500000000, -0.0018811600000000 ] - [ 0.0007798500000000, -0.0007798500000000, -0.0018811600000000 ] - [ -0.0007798500000000, 0.0007798500000000, -0.0018811600000000 ] - [ 0.0007798500000000, 0.0007798500000000, -0.0018811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019815300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1063418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021181700000000 ] - [ 0.0003266800000000, 0.0003266800000000, -0.0010262000000000 ] - [ -0.0003266800000000, 0.0003266800000000, -0.0010262000000000 ] - [ 0.0003266800000000, -0.0003266800000000, -0.0010262000000000 ] - [ -0.0003266800000000, -0.0003266800000000, -0.0010262000000000 ] - [ 0.0000885900000000, 0.0000000000000000, -0.0009477100000000 ] - [ -0.0000885900000000, 0.0000000000000000, -0.0009477100000000 ] - [ 0.0000672100000000, 0.0000000000000000, -0.0007735500000000 ] - [ -0.0000672100000000, 0.0000000000000000, -0.0007735500000000 ] - [ 0.0051038200000000, 0.0000000000000000, -0.0031121900000000 ] - [ -0.0051038200000000, 0.0000000000000000, -0.0031121900000000 ] - [ 0.0003141000000000, 0.0000000000000000, 0.0003503700000000 ] - [ -0.0003141000000000, 0.0000000000000000, 0.0003503700000000 ] - [ 0.0000000000000000, 0.0051038200000000, -0.0031121900000000 ] - [ 0.0000000000000000, 0.0003141000000000, 0.0003503700000000 ] - [ 0.0000000000000000, -0.0051038200000000, -0.0031121900000000 ] - [ 0.0000000000000000, -0.0003141000000000, 0.0003503700000000 ] - [ 0.0000000000000000, 0.0000885900000000, -0.0009477100000000 ] - [ 0.0000000000000000, 0.0000672100000000, -0.0007735500000000 ] - [ 0.0000000000000000, -0.0000885900000000, -0.0009477100000000 ] - [ 0.0000000000000000, -0.0000672100000000, -0.0007735500000000 ] - [ 0.0000091800000000, 0.0000091800000000, -0.0008082500000000 ] - [ -0.0000091800000000, 0.0000091800000000, -0.0008082500000000 ] - [ 0.0000091800000000, -0.0000091800000000, -0.0008082500000000 ] - [ -0.0000091800000000, -0.0000091800000000, -0.0008082500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002832600000000 ] - [ 0.0000000000000000, -0.0125950200000000, -0.0027875500000000 ] - [ 0.0000000000000000, -0.0013467100000000, 0.0011188300000000 ] - [ 0.0000000000000000, 0.0125950200000000, -0.0027875500000000 ] - [ 0.0000000000000000, 0.0013467100000000, 0.0011188300000000 ] - [ 0.0000000000000000, -0.0000191100000000, -0.0011107200000000 ] - [ 0.0000000000000000, -0.0000695300000000, -0.0010448600000000 ] - [ 0.0000000000000000, 0.0000191100000000, -0.0011107200000000 ] - [ 0.0000000000000000, 0.0000695300000000, -0.0010448600000000 ] - [ -0.0000191100000000, 0.0000000000000000, -0.0011107200000000 ] - [ 0.0000191100000000, 0.0000000000000000, -0.0011107200000000 ] - [ -0.0000695300000000, 0.0000000000000000, -0.0010448600000000 ] - [ 0.0000695300000000, 0.0000000000000000, -0.0010448600000000 ] - [ -0.0125950200000000, 0.0000000000000000, -0.0027875500000000 ] - [ 0.0125950200000000, 0.0000000000000000, -0.0027875500000000 ] - [ -0.0013467100000000, 0.0000000000000000, 0.0011188300000000 ] - [ 0.0013467100000000, 0.0000000000000000, 0.0011188300000000 ] - [ -0.0001278200000000, -0.0001278200000000, 0.0016924600000000 ] - [ 0.0001278200000000, -0.0001278200000000, 0.0016924600000000 ] - [ -0.0001278200000000, 0.0001278200000000, 0.0016924600000000 ] - [ 0.0001278200000000, 0.0001278200000000, 0.0016924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0764568300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020540900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006802900000000 ] - [ -0.0024790200000000, -0.0024790200000000, -0.0055474000000000 ] - [ 0.0024790200000000, -0.0024790200000000, -0.0055474000000000 ] - [ -0.0024790200000000, 0.0024790200000000, -0.0055474000000000 ] - [ 0.0024790200000000, 0.0024790200000000, -0.0055474000000000 ] - [ 0.0007812200000000, 0.0007812200000000, 0.0020826300000000 ] - [ -0.0007812200000000, 0.0007812200000000, 0.0020826300000000 ] - [ 0.0007812200000000, -0.0007812200000000, 0.0020826300000000 ] - [ -0.0007812200000000, -0.0007812200000000, 0.0020826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017836800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000060300000000, 0.0000000000000000, 0.0000631600000000 ] - [ 0.0000054600000000, 0.0000000000000000, 0.0002397100000000 ] - [ 0.0000007700000000, 0.0000000000000000, 0.0000851300000000 ] - [ -0.0000003100000000, 0.0000000000000000, 0.0002177600000000 ] - [ -0.0023797600000000, -0.0000175400000000, -0.0001772900000000 ] - [ 0.0011337800000000, 0.0000021600000000, -0.0001487800000000 ] - [ -0.0023797600000000, 0.0000175400000000, -0.0001772900000000 ] - [ 0.0011337800000000, -0.0000021600000000, -0.0001487800000000 ] - [ -0.0126240400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022380600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008284500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011390200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010339800000000, 0.0000000000000000, -0.0000001100000000 ] - [ 0.0019715200000000, 0.0000000000000000, 0.0000038000000000 ] - [ -0.0002803800000000, 0.0000000000000000, -0.0000028200000000 ] - [ 0.0002809600000000, 0.0000000000000000, -0.0000007600000000 ] - [ -0.0000299800000000, -0.0004574000000000, -0.0005136800000000 ] - [ -0.0000333100000000, 0.0004629300000000, 0.0005142700000000 ] - [ -0.0000299800000000, 0.0004574000000000, -0.0005136800000000 ] - [ -0.0000333100000000, -0.0004629300000000, 0.0005142700000000 ] - [ 0.0038835000000000, -0.0046115900000000, 0.0000000000000000 ] - [ 0.0038900400000000, 0.0046822700000000, 0.0000000000000000 ] - [ 0.0038835000000000, 0.0046115900000000, 0.0000000000000000 ] - [ 0.0038900400000000, -0.0046822700000000, 0.0000000000000000 ] - [ -0.0023797600000000, -0.0000175400000000, 0.0001772900000000 ] - [ 0.0011337800000000, 0.0000021600000000, 0.0001487800000000 ] - [ -0.0023797600000000, 0.0000175400000000, 0.0001772900000000 ] - [ 0.0011337800000000, -0.0000021600000000, 0.0001487800000000 ] - [ 0.0000060300000000, 0.0000000000000000, -0.0000631600000000 ] - [ 0.0000054600000000, 0.0000000000000000, -0.0002397100000000 ] - [ 0.0000007700000000, 0.0000000000000000, -0.0000851300000000 ] - [ -0.0000003100000000, 0.0000000000000000, -0.0002177600000000 ] - [ 0.0000003500000000, -0.0000056900000000, 0.0000000000000000 ] - [ 0.0000000800000000, 0.0000069700000000, 0.0000000000000000 ] - [ 0.0000003500000000, 0.0000056900000000, 0.0000000000000000 ] - [ 0.0000000800000000, -0.0000069700000000, 0.0000000000000000 ] - [ -0.0000299800000000, -0.0004574000000000, 0.0005136800000000 ] - [ -0.0000333100000000, 0.0004629300000000, -0.0005142700000000 ] - [ -0.0000299800000000, 0.0004574000000000, 0.0005136800000000 ] - [ -0.0000333100000000, -0.0004629300000000, -0.0005142700000000 ] - [ -0.0010339800000000, 0.0000000000000000, 0.0000001100000000 ] - [ 0.0019715200000000, 0.0000000000000000, -0.0000038000000000 ] - [ -0.0002803800000000, 0.0000000000000000, 0.0000028200000000 ] - [ 0.0002809600000000, 0.0000000000000000, 0.0000007600000000 ] - [ -0.0000597800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000611500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000471700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000482900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051932000000000, -0.0000840400000000, 0.0000000000000000 ] - [ -0.0040921900000000, -0.0000049000000000, 0.0000000000000000 ] - [ 0.0051932000000000, 0.0000840400000000, 0.0000000000000000 ] - [ -0.0040921900000000, 0.0000049000000000, 0.0000000000000000 ] - [ 0.0000006400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000009300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000002200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000010600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011382500000000, 0.0000000000000000, 0.0040718300000000 ] - [ -0.0010883000000000, 0.0000000000000000, -0.0038556500000000 ] - [ 0.0000180600000000, 0.0000000000000000, 0.0008223900000000 ] - [ 0.0000363600000000, 0.0000000000000000, -0.0006251600000000 ] - [ 0.0003578000000000, -0.0000011300000000, -0.0000955700000000 ] - [ -0.0003574800000000, -0.0000017100000000, -0.0000983400000000 ] - [ 0.0003578000000000, 0.0000011300000000, -0.0000955700000000 ] - [ -0.0003574800000000, 0.0000017100000000, -0.0000983400000000 ] - [ 0.0003578000000000, -0.0000011300000000, 0.0000955700000000 ] - [ -0.0003574800000000, -0.0000017100000000, 0.0000983400000000 ] - [ 0.0003578000000000, 0.0000011300000000, 0.0000955700000000 ] - [ -0.0003574800000000, 0.0000017100000000, 0.0000983400000000 ] - [ -0.0011382500000000, 0.0000000000000000, -0.0040718300000000 ] - [ -0.0010883000000000, 0.0000000000000000, 0.0038556500000000 ] - [ 0.0000180600000000, 0.0000000000000000, -0.0008223900000000 ] - [ 0.0000363600000000, 0.0000000000000000, 0.0006251600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000003700000000, -0.0001088500000000, 0.0001501200000000 ] - [ 0.0000003700000000, -0.0001088500000000, 0.0001501200000000 ] - [ -0.0000000400000000, 0.0001118600000000, 0.0001516600000000 ] - [ 0.0000000400000000, 0.0001118600000000, 0.0001516600000000 ] - [ 0.0000000000000000, 0.0067266300000000, 0.0126274900000000 ] - [ 0.0000000000000000, -0.0000336400000000, 0.0012080400000000 ] - [ 0.0000000000000000, 0.0066719800000000, -0.0127255500000000 ] - [ 0.0000000000000000, -0.0000256400000000, -0.0014976800000000 ] - [ 0.0000000000000000, -0.1040976300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028636900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0056321100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032625800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009508900000000, -0.0000031300000000 ] - [ 0.0000000000000000, -0.0001884900000000, -0.0000063800000000 ] - [ 0.0000000000000000, 0.0011836500000000, 0.0000040700000000 ] - [ 0.0000000000000000, 0.0002243600000000, 0.0000021900000000 ] - [ -0.0004105300000000, -0.0000476600000000, 0.0003309000000000 ] - [ 0.0004105300000000, -0.0000476600000000, 0.0003309000000000 ] - [ 0.0004072000000000, -0.0000398700000000, -0.0003295100000000 ] - [ -0.0004072000000000, -0.0000398700000000, -0.0003295100000000 ] - [ -0.0098302200000000, 0.0038985400000000, 0.0000000000000000 ] - [ 0.0098302200000000, 0.0038985400000000, 0.0000000000000000 ] - [ 0.0097004800000000, 0.0038775700000000, 0.0000000000000000 ] - [ -0.0097004800000000, 0.0038775700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067266300000000, -0.0126274900000000 ] - [ 0.0000000000000000, -0.0000336400000000, -0.0012080400000000 ] - [ 0.0000000000000000, 0.0066719800000000, 0.0127255500000000 ] - [ 0.0000000000000000, -0.0000256400000000, 0.0014976800000000 ] - [ -0.0000003700000000, -0.0001088500000000, -0.0001501200000000 ] - [ 0.0000003700000000, -0.0001088500000000, -0.0001501200000000 ] - [ -0.0000000400000000, 0.0001118600000000, -0.0001516600000000 ] - [ 0.0000000400000000, 0.0001118600000000, -0.0001516600000000 ] - [ -0.0000070900000000, 0.0000016200000000, 0.0000000000000000 ] - [ 0.0000070900000000, 0.0000016200000000, 0.0000000000000000 ] - [ 0.0000068400000000, 0.0000019900000000, 0.0000000000000000 ] - [ -0.0000068400000000, 0.0000019900000000, 0.0000000000000000 ] - [ -0.0004105300000000, -0.0000476600000000, -0.0003309000000000 ] - [ 0.0004105300000000, -0.0000476600000000, -0.0003309000000000 ] - [ 0.0004072000000000, -0.0000398700000000, 0.0003295100000000 ] - [ -0.0004072000000000, -0.0000398700000000, 0.0003295100000000 ] - [ 0.0000000000000000, -0.0009508900000000, 0.0000031300000000 ] - [ 0.0000000000000000, -0.0001884900000000, 0.0000063800000000 ] - [ 0.0000000000000000, 0.0011836500000000, -0.0000040700000000 ] - [ 0.0000000000000000, 0.0002243600000000, -0.0000021900000000 ] - [ 0.0000000000000000, -0.0000587700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000451100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000628100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000488500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0276803800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001772400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0249131000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001612900000000, 0.0000000000000000 ] - [ 0.0000002600000000, 0.0000885900000000, 0.0000000000000000 ] - [ -0.0000002600000000, 0.0000885900000000, 0.0000000000000000 ] - [ 0.0000001400000000, -0.0000848600000000, 0.0000000000000000 ] - [ -0.0000001400000000, -0.0000848600000000, 0.0000000000000000 ] - [ -0.0000143300000000, 0.0046977900000000, 0.0001166400000000 ] - [ 0.0000143300000000, 0.0046977900000000, 0.0001166400000000 ] - [ 0.0000054600000000, -0.0040402600000000, 0.0000909600000000 ] - [ -0.0000054600000000, -0.0040402600000000, 0.0000909600000000 ] - [ 0.0000000000000000, 0.0000129100000000, -0.0008600800000000 ] - [ 0.0000000000000000, 0.0000048200000000, -0.0003212000000000 ] - [ 0.0000000000000000, 0.0000082700000000, 0.0006634200000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0001292200000000 ] - [ 0.0000000000000000, 0.0000129100000000, 0.0008600800000000 ] - [ 0.0000000000000000, 0.0000048200000000, 0.0003212000000000 ] - [ 0.0000000000000000, 0.0000082700000000, -0.0006634200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0001292200000000 ] - [ -0.0000143300000000, 0.0046977900000000, -0.0001166400000000 ] - [ 0.0000143300000000, 0.0046977900000000, -0.0001166400000000 ] - [ 0.0000054600000000, -0.0040402600000000, -0.0000909600000000 ] - [ -0.0000054600000000, -0.0040402600000000, -0.0000909600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000184700000000, 0.0000000000000000, 0.0010805600000000 ] - [ 0.0000184700000000, 0.0000000000000000, 0.0010805600000000 ] - [ -0.0000361700000000, 0.0000000000000000, 0.0009079500000000 ] - [ 0.0000361700000000, 0.0000000000000000, 0.0009079500000000 ] - [ 0.0000000000000000, 0.0064257500000000, 0.0026619100000000 ] - [ 0.0000000000000000, 0.0004784300000000, -0.0012583800000000 ] - [ 0.0000000000000000, -0.0064257500000000, 0.0026619100000000 ] - [ 0.0000000000000000, -0.0004784300000000, -0.0012583800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0161487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016605700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018824800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007084300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984600000000 ] - [ -0.0001987300000000, 0.0005997000000000, 0.0008114800000000 ] - [ 0.0001987300000000, 0.0005997000000000, 0.0008114800000000 ] - [ -0.0001987300000000, -0.0005997000000000, 0.0008114800000000 ] - [ 0.0001987300000000, -0.0005997000000000, 0.0008114800000000 ] - [ 0.0000224400000000, -0.0000113400000000, -0.0025671800000000 ] - [ -0.0000224400000000, -0.0000113400000000, -0.0025671800000000 ] - [ 0.0000224400000000, 0.0000113400000000, -0.0025671800000000 ] - [ -0.0000224400000000, 0.0000113400000000, -0.0025671800000000 ] - [ 0.0000000000000000, -0.0063388400000000, 0.0029364500000000 ] - [ 0.0000000000000000, -0.0004736800000000, -0.0009816600000000 ] - [ 0.0000000000000000, 0.0063388400000000, 0.0029364500000000 ] - [ 0.0000000000000000, 0.0004736800000000, -0.0009816600000000 ] - [ 0.0000187900000000, 0.0000000000000000, 0.0008133900000000 ] - [ -0.0000187900000000, 0.0000000000000000, 0.0008133900000000 ] - [ 0.0000368500000000, 0.0000000000000000, 0.0006381400000000 ] - [ -0.0000368500000000, 0.0000000000000000, 0.0006381400000000 ] - [ 0.0000000500000000, 0.0000020400000000, 0.0007598900000000 ] - [ -0.0000000500000000, 0.0000020400000000, 0.0007598900000000 ] - [ 0.0000000500000000, -0.0000020400000000, 0.0007598900000000 ] - [ -0.0000000500000000, -0.0000020400000000, 0.0007598900000000 ] - [ 0.0001992000000000, -0.0005941800000000, 0.0008125100000000 ] - [ -0.0001992000000000, -0.0005941800000000, 0.0008125100000000 ] - [ 0.0001992000000000, 0.0005941800000000, 0.0008125100000000 ] - [ -0.0001992000000000, 0.0005941800000000, 0.0008125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007119600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007650700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007651200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007330000000000 ] - [ 0.0000000000000000, -0.0000816800000000, 0.0066038400000000 ] - [ 0.0000000000000000, -0.0000017600000000, 0.0024762300000000 ] - [ 0.0000000000000000, 0.0000816800000000, 0.0066038400000000 ] - [ 0.0000000000000000, 0.0000017600000000, 0.0024762300000000 ] - [ -0.0000001000000000, 0.0000000000000000, -0.0016139400000000 ] - [ 0.0000001000000000, 0.0000000000000000, -0.0016139400000000 ] - [ -0.0000002000000000, 0.0000000000000000, -0.0014496100000000 ] - [ 0.0000002000000000, 0.0000000000000000, -0.0014496100000000 ] - [ 0.0037286300000000, 0.0000000000000000, -0.0011410000000000 ] - [ -0.0037286300000000, 0.0000000000000000, -0.0011410000000000 ] - [ 0.0011770400000000, 0.0000000000000000, 0.0009468100000000 ] - [ -0.0011770400000000, 0.0000000000000000, 0.0009468100000000 ] - [ 0.0000000000000000, -0.0003175400000000, -0.0020859900000000 ] - [ 0.0000000000000000, -0.0004266100000000, -0.0017331000000000 ] - [ 0.0000000000000000, 0.0003175400000000, -0.0020859900000000 ] - [ 0.0000000000000000, 0.0004266100000000, -0.0017331000000000 ] - [ 0.0000000000000000, 0.0003141900000000, -0.0018726500000000 ] - [ 0.0000000000000000, 0.0004218300000000, -0.0015183200000000 ] - [ 0.0000000000000000, -0.0003141900000000, -0.0018726500000000 ] - [ 0.0000000000000000, -0.0004218300000000, -0.0015183200000000 ] - [ -0.0037530500000000, 0.0000000000000000, -0.0014129800000000 ] - [ 0.0037530500000000, 0.0000000000000000, -0.0014129800000000 ] - [ -0.0011778800000000, 0.0000000000000000, 0.0007170700000000 ] - [ 0.0011778800000000, 0.0000000000000000, 0.0007170700000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029984300000000, 0.0000000000000000, -0.0049051300000000 ] - [ 0.0030076600000000, 0.0000000000000000, 0.0052251500000000 ] - [ -0.0002410200000000, 0.0000000000000000, -0.0001722800000000 ] - [ -0.0002603900000000, 0.0000000000000000, 0.0004420900000000 ] - [ -0.0023259300000000, -0.0000074100000000, -0.0001115000000000 ] - [ 0.0021589200000000, 0.0000099700000000, -0.0001271400000000 ] - [ -0.0023259300000000, 0.0000074100000000, -0.0001115000000000 ] - [ 0.0021589200000000, -0.0000099700000000, -0.0001271400000000 ] - [ -0.0010338100000000, 0.0000000000000000, -0.0000011000000000 ] - [ 0.0019720900000000, 0.0000000000000000, -0.0000149000000000 ] - [ -0.0002801500000000, 0.0000000000000000, 0.0000018600000000 ] - [ 0.0002812400000000, 0.0000000000000000, -0.0000013000000000 ] - [ -0.0479513900000000, 0.0000000000000000, 0.0004899300000000 ] - [ 0.0040661500000000, 0.0000000000000000, 0.0000142100000000 ] - [ -0.0009991900000000, 0.0000000000000000, 0.0000157000000000 ] - [ 0.0011856800000000, 0.0000000000000000, 0.0000049300000000 ] - [ 0.0030906200000000, -0.0050948700000000, -0.0009693200000000 ] - [ 0.0031037000000000, 0.0051640000000000, 0.0009935700000000 ] - [ 0.0030906200000000, 0.0050948700000000, -0.0009693200000000 ] - [ 0.0031037000000000, -0.0051640000000000, 0.0009935700000000 ] - [ -0.0000385900000000, -0.0004559000000000, 0.0005940600000000 ] - [ -0.0000510700000000, 0.0004645500000000, -0.0005998200000000 ] - [ -0.0000385900000000, 0.0004559000000000, 0.0005940600000000 ] - [ -0.0000510700000000, -0.0004645500000000, -0.0005998200000000 ] - [ -0.0001468900000000, 0.0000008800000000, 0.0001279600000000 ] - [ 0.0001437800000000, 0.0000011500000000, 0.0001247900000000 ] - [ -0.0001468900000000, -0.0000008800000000, 0.0001279600000000 ] - [ 0.0001437800000000, -0.0000011500000000, 0.0001247900000000 ] - [ 0.0000007900000000, 0.0000000000000000, -0.0001525300000000 ] - [ -0.0000004300000000, 0.0000000000000000, -0.0001160900000000 ] - [ 0.0000030000000000, 0.0000000000000000, -0.0002120200000000 ] - [ 0.0000010600000000, 0.0000000000000000, -0.0000630800000000 ] - [ -0.0000282300000000, -0.0004018200000000, -0.0002017300000000 ] - [ -0.0000345800000000, 0.0004083600000000, 0.0001962300000000 ] - [ -0.0000282300000000, 0.0004018200000000, -0.0002017300000000 ] - [ -0.0000345800000000, -0.0004083600000000, 0.0001962300000000 ] - [ 0.0000016100000000, -0.0000029500000000, 0.0000294900000000 ] - [ 0.0000009600000000, 0.0000035200000000, -0.0000376300000000 ] - [ 0.0000016100000000, 0.0000029500000000, 0.0000294900000000 ] - [ 0.0000009600000000, -0.0000035200000000, -0.0000376300000000 ] - [ -0.0000559300000000, 0.0000000000000000, -0.0000046000000000 ] - [ 0.0000583700000000, 0.0000000000000000, -0.0000041900000000 ] - [ -0.0000513300000000, 0.0000000000000000, -0.0000038300000000 ] - [ 0.0000514100000000, 0.0000000000000000, -0.0000034400000000 ] - [ -0.0009513200000000, 0.0000000000000000, -0.0000061200000000 ] - [ 0.0011818900000000, 0.0000000000000000, 0.0000000700000000 ] - [ -0.0001967000000000, 0.0000000000000000, -0.0000098600000000 ] - [ 0.0002303200000000, 0.0000000000000000, -0.0000010200000000 ] - [ 0.0010393500000000, -0.0000042600000000, -0.0000041900000000 ] - [ -0.0011610100000000, -0.0000092900000000, 0.0000080300000000 ] - [ 0.0010393500000000, 0.0000042600000000, -0.0000041900000000 ] - [ -0.0011610100000000, 0.0000092900000000, 0.0000080300000000 ] - [ 0.0000561400000000, 0.0000000000000000, 0.0017041700000000 ] - [ 0.0000673400000000, 0.0000000000000000, -0.0016967700000000 ] - [ 0.0000156100000000, 0.0000000000000000, 0.0000967200000000 ] - [ 0.0000277500000000, 0.0000000000000000, -0.0000848100000000 ] - [ 0.0104850500000000, 0.0000000000000000, 0.0078172600000000 ] - [ 0.0110794200000000, 0.0000000000000000, -0.0081700600000000 ] - [ -0.0000106100000000, 0.0000000000000000, -0.0009949400000000 ] - [ 0.0000128900000000, 0.0000000000000000, 0.0011883500000000 ] - [ 0.0052408200000000, -0.0000055100000000, -0.0001259500000000 ] - [ -0.0033693400000000, -0.0000051300000000, -0.0001192700000000 ] - [ 0.0052408200000000, 0.0000055100000000, -0.0001259500000000 ] - [ -0.0033693400000000, 0.0000051300000000, -0.0001192700000000 ] - [ 0.0001466600000000, -0.0000006800000000, 0.0001142600000000 ] - [ -0.0001448500000000, -0.0000009000000000, 0.0001124500000000 ] - [ 0.0001466600000000, 0.0000006800000000, 0.0001142600000000 ] - [ -0.0001448500000000, 0.0000009000000000, 0.0001124500000000 ] - [ -0.0000027200000000, 0.0000000000000000, -0.0003643900000000 ] - [ 0.0000008500000000, 0.0000000000000000, 0.0001715100000000 ] - [ -0.0000011100000000, 0.0000000000000000, -0.0002723900000000 ] - [ 0.0000011100000000, 0.0000000000000000, 0.0000743500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052126800000000, 0.0000000000000000, 0.0032559500000000 ] - [ 0.0052126800000000, 0.0000000000000000, 0.0032559500000000 ] - [ -0.0018972200000000, 0.0000000000000000, -0.0001967000000000 ] - [ 0.0018972200000000, 0.0000000000000000, -0.0001967000000000 ] - [ 0.0000000000000000, -0.0051507200000000, 0.0029419900000000 ] - [ 0.0000000000000000, -0.0018864100000000, -0.0004871300000000 ] - [ 0.0000000000000000, 0.0051507200000000, 0.0029419900000000 ] - [ 0.0000000000000000, 0.0018864100000000, -0.0004871300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016358300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0471413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045682800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019530000000000 ] - [ -0.0009653700000000, -0.0009973900000000, -0.0045688200000000 ] - [ 0.0009653700000000, -0.0009973900000000, -0.0045688200000000 ] - [ -0.0009653700000000, 0.0009973900000000, -0.0045688200000000 ] - [ 0.0009653700000000, 0.0009973900000000, -0.0045688200000000 ] - [ 0.0003295400000000, -0.0005134000000000, 0.0008124800000000 ] - [ -0.0003295400000000, -0.0005134000000000, 0.0008124800000000 ] - [ 0.0003295400000000, 0.0005134000000000, 0.0008124800000000 ] - [ -0.0003295400000000, 0.0005134000000000, 0.0008124800000000 ] - [ 0.0000000000000000, -0.0001129000000000, 0.0012550300000000 ] - [ 0.0000000000000000, -0.0001486600000000, 0.0011894300000000 ] - [ 0.0000000000000000, 0.0001129000000000, 0.0012550300000000 ] - [ 0.0000000000000000, 0.0001486600000000, 0.0011894300000000 ] - [ -0.0001136300000000, 0.0000000000000000, 0.0009627300000000 ] - [ 0.0001136300000000, 0.0000000000000000, 0.0009627300000000 ] - [ -0.0001492400000000, 0.0000000000000000, 0.0008958900000000 ] - [ 0.0001492400000000, 0.0000000000000000, 0.0008958900000000 ] - [ -0.0005144900000000, 0.0003318800000000, 0.0008114600000000 ] - [ 0.0005144900000000, 0.0003318800000000, 0.0008114600000000 ] - [ -0.0005144900000000, -0.0003318800000000, 0.0008114600000000 ] - [ 0.0005144900000000, -0.0003318800000000, 0.0008114600000000 ] - [ -0.0000336500000000, -0.0000335100000000, 0.0012010200000000 ] - [ 0.0000336500000000, -0.0000335100000000, 0.0012010200000000 ] - [ -0.0000336500000000, 0.0000335100000000, 0.0012010200000000 ] - [ 0.0000336500000000, 0.0000335100000000, 0.0012010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000200000000 ] - [ 0.0000000000000000, 0.0008169500000000, -0.0024673900000000 ] - [ 0.0000000000000000, 0.0010856500000000, -0.0013570900000000 ] - [ 0.0000000000000000, -0.0008169500000000, -0.0024673900000000 ] - [ 0.0000000000000000, -0.0010856500000000, -0.0013570900000000 ] - [ 0.0008208200000000, 0.0000000000000000, -0.0024680600000000 ] - [ -0.0008208200000000, 0.0000000000000000, -0.0024680600000000 ] - [ 0.0010892200000000, 0.0000000000000000, -0.0013574700000000 ] - [ -0.0010892200000000, 0.0000000000000000, -0.0013574700000000 ] - [ 0.0072900100000000, 0.0000000000000000, 0.0130029100000000 ] - [ -0.0072900100000000, 0.0000000000000000, 0.0130029100000000 ] - [ -0.0001321500000000, 0.0000000000000000, 0.0033501200000000 ] - [ 0.0001321500000000, 0.0000000000000000, 0.0033501200000000 ] - [ 0.0000000000000000, 0.0077295000000000, 0.0130905300000000 ] - [ 0.0000000000000000, -0.0001340900000000, 0.0031743900000000 ] - [ 0.0000000000000000, -0.0077295000000000, 0.0130905300000000 ] - [ 0.0000000000000000, 0.0001340900000000, 0.0031743900000000 ] - [ 0.0000000000000000, -0.0000215000000000, -0.0023875400000000 ] - [ 0.0000000000000000, -0.0000579200000000, -0.0019886500000000 ] - [ 0.0000000000000000, 0.0000215000000000, -0.0023875400000000 ] - [ 0.0000000000000000, 0.0000579200000000, -0.0019886500000000 ] - [ -0.0000208000000000, 0.0000000000000000, -0.0025782000000000 ] - [ 0.0000208000000000, 0.0000000000000000, -0.0025782000000000 ] - [ -0.0000573600000000, 0.0000000000000000, -0.0021805200000000 ] - [ 0.0000573600000000, 0.0000000000000000, -0.0021805200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008000000000, 0.0000064900000000, 0.0002587500000000 ] - [ 0.0000022400000000, -0.0000072100000000, 0.0000044300000000 ] - [ 0.0000008000000000, -0.0000064900000000, 0.0002587500000000 ] - [ 0.0000022400000000, 0.0000072100000000, 0.0000044300000000 ] - [ 0.0057068700000000, 0.0000000000000000, -0.0002856700000000 ] - [ -0.0054842000000000, 0.0000000000000000, -0.0001448600000000 ] - [ 0.0009307000000000, 0.0000000000000000, -0.0001191700000000 ] - [ -0.0009752500000000, 0.0000000000000000, -0.0001401900000000 ] - [ 0.0051943900000000, 0.0000765300000000, 0.0000000000000000 ] - [ -0.0040906100000000, 0.0000129700000000, 0.0000000000000000 ] - [ 0.0051943900000000, -0.0000765300000000, 0.0000000000000000 ] - [ -0.0040906100000000, -0.0000129700000000, 0.0000000000000000 ] - [ 0.0010414500000000, -0.0000041600000000, 0.0000031700000000 ] - [ -0.0011596300000000, 0.0000007000000000, -0.0000012000000000 ] - [ 0.0010414500000000, 0.0000041600000000, 0.0000031700000000 ] - [ -0.0011596300000000, -0.0000007000000000, -0.0000012000000000 ] - [ 0.0000574900000000, 0.0000000000000000, 0.0008190900000000 ] - [ 0.0000699600000000, 0.0000000000000000, -0.0008191400000000 ] - [ 0.0000217300000000, 0.0000000000000000, 0.0010851100000000 ] - [ 0.0000246600000000, 0.0000000000000000, -0.0010898500000000 ] - [ 0.0249753400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0276219600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001494000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001911600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057068700000000, 0.0000000000000000, 0.0002856700000000 ] - [ -0.0054842000000000, 0.0000000000000000, 0.0001448600000000 ] - [ 0.0009307000000000, 0.0000000000000000, 0.0001191700000000 ] - [ -0.0009752500000000, 0.0000000000000000, 0.0001401900000000 ] - [ 0.0000008000000000, 0.0000064900000000, -0.0002587500000000 ] - [ 0.0000022400000000, -0.0000072100000000, -0.0000044300000000 ] - [ 0.0000008000000000, -0.0000064900000000, -0.0002587500000000 ] - [ 0.0000022400000000, 0.0000072100000000, -0.0000044300000000 ] - [ 0.0000021700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000029600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000022000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000026800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000574900000000, 0.0000000000000000, -0.0008190900000000 ] - [ 0.0000699600000000, 0.0000000000000000, 0.0008191400000000 ] - [ 0.0000217300000000, 0.0000000000000000, -0.0010851100000000 ] - [ 0.0000246600000000, 0.0000000000000000, 0.0010898500000000 ] - [ 0.0010414500000000, -0.0000041600000000, -0.0000031700000000 ] - [ -0.0011596300000000, 0.0000007000000000, 0.0000012000000000 ] - [ 0.0010414500000000, 0.0000041600000000, -0.0000031700000000 ] - [ -0.0011596300000000, -0.0000007000000000, 0.0000012000000000 ] - [ 0.0000898000000000, -0.0000004000000000, 0.0000000000000000 ] - [ -0.0000853100000000, -0.0000000700000000, 0.0000000000000000 ] - [ 0.0000898000000000, 0.0000004000000000, 0.0000000000000000 ] - [ -0.0000853100000000, 0.0000000700000000, 0.0000000000000000 ] - [ -0.0936369900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0282326300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012478800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014755200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000026800000000, 0.0000011500000000, 0.0000000000000000 ] - [ 0.0000014400000000, -0.0000006800000000, 0.0000000000000000 ] - [ 0.0000026800000000, -0.0000011500000000, 0.0000000000000000 ] - [ 0.0000014400000000, 0.0000006800000000, 0.0000000000000000 ] - [ 0.0012404000000000, 0.0040948500000000, -0.0053954900000000 ] - [ 0.0011918700000000, -0.0041178600000000, 0.0056348400000000 ] - [ 0.0012404000000000, -0.0040948500000000, -0.0053954900000000 ] - [ 0.0011918700000000, 0.0041178600000000, 0.0056348400000000 ] - [ -0.0005501900000000, 0.0000000000000000, -0.0001109700000000 ] - [ 0.0005616100000000, 0.0000000000000000, -0.0001016700000000 ] - [ -0.0006365400000000, 0.0000000000000000, -0.0001051700000000 ] - [ 0.0006409300000000, 0.0000000000000000, -0.0001025300000000 ] - [ -0.0005501900000000, 0.0000000000000000, 0.0001109700000000 ] - [ 0.0005616100000000, 0.0000000000000000, 0.0001016700000000 ] - [ -0.0006365400000000, 0.0000000000000000, 0.0001051700000000 ] - [ 0.0006409300000000, 0.0000000000000000, 0.0001025300000000 ] - [ 0.0012404000000000, 0.0040948500000000, 0.0053954900000000 ] - [ 0.0011918700000000, -0.0041178600000000, -0.0056348400000000 ] - [ 0.0012404000000000, -0.0040948500000000, 0.0053954900000000 ] - [ 0.0011918700000000, 0.0041178600000000, -0.0056348400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001513400000000, 0.0001513400000000, -0.0015463100000000 ] - [ -0.0001513400000000, 0.0001513400000000, -0.0015463100000000 ] - [ 0.0001513400000000, -0.0001513400000000, -0.0015463100000000 ] - [ -0.0001513400000000, -0.0001513400000000, -0.0015463100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0813753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019205100000000 ] - [ 0.0000000000000000, 0.0000679700000000, 0.0066024800000000 ] - [ 0.0000000000000000, -0.0000091100000000, 0.0024750000000000 ] - [ 0.0000000000000000, -0.0000679700000000, 0.0066024800000000 ] - [ 0.0000000000000000, 0.0000091100000000, 0.0024750000000000 ] - [ 0.0000000000000000, 0.0017042400000000, -0.0024697400000000 ] - [ 0.0000000000000000, 0.0000906300000000, -0.0013557600000000 ] - [ 0.0000000000000000, -0.0017042400000000, -0.0024697400000000 ] - [ 0.0000000000000000, -0.0000906300000000, -0.0013557600000000 ] - [ 0.0017042400000000, 0.0000000000000000, -0.0024697400000000 ] - [ -0.0017042400000000, 0.0000000000000000, -0.0024697400000000 ] - [ 0.0000906300000000, 0.0000000000000000, -0.0013557600000000 ] - [ -0.0000906300000000, 0.0000000000000000, -0.0013557600000000 ] - [ 0.0000679700000000, 0.0000000000000000, 0.0066024800000000 ] - [ -0.0000679700000000, 0.0000000000000000, 0.0066024800000000 ] - [ -0.0000091100000000, 0.0000000000000000, 0.0024750000000000 ] - [ 0.0000091100000000, 0.0000000000000000, 0.0024750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0766403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021966800000000 ] - [ -0.0001506400000000, -0.0001506400000000, -0.0018365100000000 ] - [ 0.0001506400000000, -0.0001506400000000, -0.0018365100000000 ] - [ -0.0001506400000000, 0.0001506400000000, -0.0018365100000000 ] - [ 0.0001506400000000, 0.0001506400000000, -0.0018365100000000 ] - [ 0.0000001600000000, 0.0000000000000000, -0.0016137400000000 ] - [ -0.0000001600000000, 0.0000000000000000, -0.0016137400000000 ] - [ 0.0000001900000000, 0.0000000000000000, -0.0014490800000000 ] - [ -0.0000001900000000, 0.0000000000000000, -0.0014490800000000 ] - [ -0.0016966800000000, 0.0000000000000000, -0.0024663500000000 ] - [ 0.0016966800000000, 0.0000000000000000, -0.0024663500000000 ] - [ -0.0000911800000000, 0.0000000000000000, -0.0013586800000000 ] - [ 0.0000911800000000, 0.0000000000000000, -0.0013586800000000 ] - [ 0.0000000000000000, -0.0016966800000000, -0.0024663500000000 ] - [ 0.0000000000000000, -0.0000911800000000, -0.0013586800000000 ] - [ 0.0000000000000000, 0.0016966800000000, -0.0024663500000000 ] - [ 0.0000000000000000, 0.0000911800000000, -0.0013586800000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0016137400000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0014490800000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0016137400000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0014490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1865566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046201500000000 ] - [ -0.0000002800000000, -0.0000002800000000, 0.0030479900000000 ] - [ 0.0000002800000000, -0.0000002800000000, 0.0030479900000000 ] - [ -0.0000002800000000, 0.0000002800000000, 0.0030479900000000 ] - [ 0.0000002800000000, 0.0000002800000000, 0.0030479900000000 ] - [ -0.0062186500000000, -0.0062186500000000, 0.0009433400000000 ] - [ 0.0062186500000000, -0.0062186500000000, 0.0009433400000000 ] - [ -0.0062186500000000, 0.0062186500000000, 0.0009433400000000 ] - [ 0.0062186500000000, 0.0062186500000000, 0.0009433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028965100000000 ] - [ 0.0061838600000000, 0.0061838600000000, 0.0007744300000000 ] - [ -0.0061838600000000, 0.0061838600000000, 0.0007744300000000 ] - [ 0.0061838600000000, -0.0061838600000000, 0.0007744300000000 ] - [ -0.0061838600000000, -0.0061838600000000, 0.0007744300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023704500000000, 0.0000000000000000, 0.0001595900000000 ] - [ -0.0020605000000000, 0.0000000000000000, 0.0001459100000000 ] - [ 0.0010927700000000, 0.0000000000000000, 0.0001564800000000 ] - [ -0.0011339100000000, 0.0000000000000000, 0.0001510800000000 ] - [ 0.0000907800000000, -0.0025764400000000, 0.0023287200000000 ] - [ -0.0000622800000000, 0.0026760500000000, -0.0026356300000000 ] - [ 0.0000907800000000, 0.0025764400000000, 0.0023287200000000 ] - [ -0.0000622800000000, -0.0026760500000000, -0.0026356300000000 ] - [ -0.0010789800000000, 0.0000000000000000, 0.0037276600000000 ] - [ -0.0011478700000000, 0.0000000000000000, -0.0037548700000000 ] - [ 0.0000319500000000, 0.0000000000000000, 0.0011793700000000 ] - [ 0.0000216100000000, 0.0000000000000000, -0.0011760400000000 ] - [ 0.0111036000000000, 0.0000000000000000, 0.0077871000000000 ] - [ 0.0104622100000000, 0.0000000000000000, -0.0072369500000000 ] - [ 0.0000105800000000, 0.0000000000000000, -0.0001320600000000 ] - [ -0.0000081000000000, 0.0000000000000000, 0.0001334700000000 ] - [ 0.0052399500000000, -0.0000095600000000, 0.0000028200000000 ] - [ -0.0033711500000000, -0.0000125300000000, -0.0000090000000000 ] - [ 0.0052399500000000, 0.0000095600000000, 0.0000028200000000 ] - [ -0.0033711500000000, 0.0000125300000000, -0.0000090000000000 ] - [ 0.0046974400000000, 0.0000113500000000, -0.0000103700000000 ] - [ -0.0040432000000000, -0.0000038500000000, 0.0000055500000000 ] - [ 0.0046974400000000, -0.0000113500000000, -0.0000103700000000 ] - [ -0.0040432000000000, 0.0000038500000000, 0.0000055500000000 ] - [ 0.0000090500000000, -0.0003862600000000, 0.0009336700000000 ] - [ 0.0000044200000000, 0.0003861200000000, -0.0006293400000000 ] - [ 0.0000090500000000, 0.0003862600000000, 0.0009336700000000 ] - [ 0.0000044200000000, -0.0003861200000000, -0.0006293400000000 ] - [ 0.0000950400000000, 0.0000000000000000, -0.0001534200000000 ] - [ -0.0000953800000000, 0.0000000000000000, -0.0001516000000000 ] - [ 0.0001086800000000, 0.0000000000000000, -0.0001517600000000 ] - [ -0.0001084900000000, 0.0000000000000000, -0.0001530900000000 ] - [ 0.0003573600000000, -0.0000018100000000, 0.0000001800000000 ] - [ -0.0003578600000000, 0.0000012400000000, -0.0000011600000000 ] - [ 0.0003573600000000, 0.0000018100000000, 0.0000001800000000 ] - [ -0.0003578600000000, -0.0000012400000000, -0.0000011600000000 ] - [ 0.0001465000000000, 0.0000002600000000, -0.0000017900000000 ] - [ -0.0001448600000000, 0.0000000000000000, -0.0000003100000000 ] - [ 0.0001465000000000, -0.0000002600000000, -0.0000017900000000 ] - [ -0.0001448600000000, 0.0000000000000000, -0.0000003100000000 ] - [ -0.0000012600000000, 0.0000000000000000, 0.0000202100000000 ] - [ -0.0000033800000000, 0.0000000000000000, -0.0000219800000000 ] - [ -0.0000006600000000, 0.0000000000000000, 0.0000566600000000 ] - [ -0.0000023500000000, 0.0000000000000000, -0.0000581800000000 ] - [ 0.0000097800000000, 0.0000000000000000, -0.0003175100000000 ] - [ 0.0000079400000000, 0.0000000000000000, 0.0003154100000000 ] - [ 0.0000046700000000, 0.0000000000000000, -0.0004256400000000 ] - [ -0.0000033300000000, 0.0000000000000000, 0.0004238900000000 ] - [ 0.0011958900000000, 0.0041135900000000, -0.0062148200000000 ] - [ 0.0012323500000000, -0.0040988200000000, 0.0061881700000000 ] - [ 0.0011958900000000, -0.0041135900000000, -0.0062148200000000 ] - [ 0.0012323500000000, 0.0040988200000000, 0.0061881700000000 ] - [ -0.0005520700000000, 0.0000000000000000, -0.0000019700000000 ] - [ 0.0005592300000000, 0.0000000000000000, 0.0000040000000000 ] - [ -0.0006390100000000, 0.0000000000000000, -0.0000015900000000 ] - [ 0.0006388100000000, 0.0000000000000000, 0.0000021700000000 ] - [ -0.0591690700000000, 0.0000000000000000, -0.0003953800000000 ] - [ 0.0278290700000000, 0.0000000000000000, 0.0000890800000000 ] - [ -0.0075163700000000, 0.0000000000000000, 0.0001047600000000 ] - [ 0.0063435600000000, 0.0000000000000000, 0.0000927900000000 ] - [ 0.0007090900000000, 0.0044127600000000, 0.0048460400000000 ] - [ 0.0007487000000000, -0.0043827100000000, -0.0050181900000000 ] - [ 0.0007090900000000, -0.0044127600000000, 0.0048460400000000 ] - [ 0.0007487000000000, 0.0043827100000000, -0.0050181900000000 ] - [ -0.0000008200000000, -0.0000107800000000, 0.0001164300000000 ] - [ 0.0000011700000000, 0.0000105900000000, 0.0000780200000000 ] - [ -0.0000008200000000, 0.0000107800000000, 0.0001164300000000 ] - [ 0.0000011700000000, -0.0000105900000000, 0.0000780200000000 ] - [ -0.0020122000000000, 0.0000000000000000, -0.0000873000000000 ] - [ 0.0019304500000000, 0.0000000000000000, -0.0000991100000000 ] - [ -0.0010541400000000, 0.0000000000000000, -0.0000912900000000 ] - [ 0.0010616000000000, 0.0000000000000000, -0.0000979000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0062848000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004331500000000 ] - [ 0.0017261000000000, 0.0017261000000000, 0.0052638400000000 ] - [ -0.0017261000000000, 0.0017261000000000, 0.0052638400000000 ] - [ 0.0017261000000000, -0.0017261000000000, 0.0052638400000000 ] - [ -0.0017261000000000, -0.0017261000000000, 0.0052638400000000 ] - [ 0.0039695100000000, 0.0000000000000000, -0.0013080000000000 ] - [ -0.0039695100000000, 0.0000000000000000, -0.0013080000000000 ] - [ 0.0007211600000000, 0.0000000000000000, 0.0008237100000000 ] - [ -0.0007211600000000, 0.0000000000000000, 0.0008237100000000 ] - [ 0.0082303000000000, 0.0000000000000000, 0.0131979000000000 ] - [ -0.0082303000000000, 0.0000000000000000, 0.0131979000000000 ] - [ -0.0010894300000000, 0.0000000000000000, 0.0032680100000000 ] - [ 0.0010894300000000, 0.0000000000000000, 0.0032680100000000 ] - [ 0.0000000000000000, 0.0082303000000000, 0.0131979000000000 ] - [ 0.0000000000000000, -0.0010894300000000, 0.0032680100000000 ] - [ 0.0000000000000000, -0.0082303000000000, 0.0131979000000000 ] - [ 0.0000000000000000, 0.0010894300000000, 0.0032680100000000 ] - [ 0.0000000000000000, 0.0039695100000000, -0.0013080000000000 ] - [ 0.0000000000000000, 0.0007211600000000, 0.0008237100000000 ] - [ 0.0000000000000000, -0.0039695100000000, -0.0013080000000000 ] - [ 0.0000000000000000, -0.0007211600000000, 0.0008237100000000 ] - [ 0.0006810900000000, 0.0006810900000000, -0.0018341200000000 ] - [ -0.0006810900000000, 0.0006810900000000, -0.0018341200000000 ] - [ 0.0006810900000000, -0.0006810900000000, -0.0018341200000000 ] - [ -0.0006810900000000, -0.0006810900000000, -0.0018341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020264100000000 ] - [ 0.0000000000000000, -0.0007644000000000, -0.0019782000000000 ] - [ 0.0000000000000000, -0.0002271400000000, -0.0016224600000000 ] - [ 0.0000000000000000, 0.0007644000000000, -0.0019782000000000 ] - [ 0.0000000000000000, 0.0002271400000000, -0.0016224600000000 ] - [ 0.0000000000000000, 0.0002658500000000, -0.0024788900000000 ] - [ 0.0000000000000000, 0.0001724100000000, -0.0020824000000000 ] - [ 0.0000000000000000, -0.0002658500000000, -0.0024788900000000 ] - [ 0.0000000000000000, -0.0001724100000000, -0.0020824000000000 ] - [ 0.0002658500000000, 0.0000000000000000, -0.0024788900000000 ] - [ -0.0002658500000000, 0.0000000000000000, -0.0024788900000000 ] - [ 0.0001724100000000, 0.0000000000000000, -0.0020824000000000 ] - [ -0.0001724100000000, 0.0000000000000000, -0.0020824000000000 ] - [ -0.0007644000000000, 0.0000000000000000, -0.0019782000000000 ] - [ 0.0007644000000000, 0.0000000000000000, -0.0019782000000000 ] - [ -0.0002271400000000, 0.0000000000000000, -0.0016224600000000 ] - [ 0.0002271400000000, 0.0000000000000000, -0.0016224600000000 ] - [ -0.0054925800000000, -0.0054925800000000, 0.0008765300000000 ] - [ 0.0054925800000000, -0.0054925800000000, 0.0008765300000000 ] - [ -0.0054925800000000, 0.0054925800000000, 0.0008765300000000 ] - [ 0.0054925800000000, 0.0054925800000000, 0.0008765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0638424100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069009100000000 ] - [ 0.0049483000000000, 0.0049483000000000, 0.0038373200000000 ] - [ -0.0049483000000000, 0.0049483000000000, 0.0038373200000000 ] - [ 0.0049483000000000, -0.0049483000000000, 0.0038373200000000 ] - [ -0.0049483000000000, -0.0049483000000000, 0.0038373200000000 ] - [ -0.0000180800000000, -0.0000180800000000, 0.0044015000000000 ] - [ 0.0000180800000000, -0.0000180800000000, 0.0044015000000000 ] - [ -0.0000180800000000, 0.0000180800000000, 0.0044015000000000 ] - [ 0.0000180800000000, 0.0000180800000000, 0.0044015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025450500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0065217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007371900000000 ] - [ -0.0017100600000000, -0.0017100600000000, -0.0056018300000000 ] - [ 0.0017100600000000, -0.0017100600000000, -0.0056018300000000 ] - [ -0.0017100600000000, 0.0017100600000000, -0.0056018300000000 ] - [ 0.0017100600000000, 0.0017100600000000, -0.0056018300000000 ] - [ -0.0039576100000000, 0.0000000000000000, 0.0012449500000000 ] - [ 0.0039576100000000, 0.0000000000000000, 0.0012449500000000 ] - [ -0.0007257500000000, 0.0000000000000000, -0.0008407100000000 ] - [ 0.0007257500000000, 0.0000000000000000, -0.0008407100000000 ] - [ -0.0077542300000000, 0.0000000000000000, -0.0128952400000000 ] - [ 0.0077542300000000, 0.0000000000000000, -0.0128952400000000 ] - [ 0.0010937000000000, 0.0000000000000000, -0.0032550600000000 ] - [ -0.0010937000000000, 0.0000000000000000, -0.0032550600000000 ] - [ 0.0000000000000000, -0.0077542300000000, -0.0128952400000000 ] - [ 0.0000000000000000, 0.0010937000000000, -0.0032550600000000 ] - [ 0.0000000000000000, 0.0077542300000000, -0.0128952400000000 ] - [ 0.0000000000000000, -0.0010937000000000, -0.0032550600000000 ] - [ 0.0000000000000000, -0.0039576100000000, 0.0012449500000000 ] - [ 0.0000000000000000, -0.0007257500000000, -0.0008407100000000 ] - [ 0.0000000000000000, 0.0039576100000000, 0.0012449500000000 ] - [ 0.0000000000000000, 0.0007257500000000, -0.0008407100000000 ] - [ -0.0006867800000000, -0.0006867800000000, 0.0021300000000000 ] - [ 0.0006867800000000, -0.0006867800000000, 0.0021300000000000 ] - [ -0.0006867800000000, 0.0006867800000000, 0.0021300000000000 ] - [ 0.0006867800000000, 0.0006867800000000, 0.0021300000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020126500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017330200000000 ] - [ 0.0000000000000000, 0.0007572000000000, 0.0019790300000000 ] - [ 0.0000000000000000, 0.0002247100000000, 0.0016276300000000 ] - [ 0.0000000000000000, -0.0007572000000000, 0.0019790300000000 ] - [ 0.0000000000000000, -0.0002247100000000, 0.0016276300000000 ] - [ 0.0000000000000000, -0.0002698900000000, 0.0024841000000000 ] - [ 0.0000000000000000, -0.0001737800000000, 0.0020841000000000 ] - [ 0.0000000000000000, 0.0002698900000000, 0.0024841000000000 ] - [ 0.0000000000000000, 0.0001737800000000, 0.0020841000000000 ] - [ -0.0002698900000000, 0.0000000000000000, 0.0024841000000000 ] - [ 0.0002698900000000, 0.0000000000000000, 0.0024841000000000 ] - [ -0.0001737800000000, 0.0000000000000000, 0.0020841000000000 ] - [ 0.0001737800000000, 0.0000000000000000, 0.0020841000000000 ] - [ 0.0007572000000000, 0.0000000000000000, 0.0019790300000000 ] - [ -0.0007572000000000, 0.0000000000000000, 0.0019790300000000 ] - [ 0.0002247100000000, 0.0000000000000000, 0.0016276300000000 ] - [ -0.0002247100000000, 0.0000000000000000, 0.0016276300000000 ] - [ 0.0055371500000000, 0.0055371500000000, -0.0008419900000000 ] - [ -0.0055371500000000, 0.0055371500000000, -0.0008419900000000 ] - [ 0.0055371500000000, -0.0055371500000000, -0.0008419900000000 ] - [ -0.0055371500000000, -0.0055371500000000, -0.0008419900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028036500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0631643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0131144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0131144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070972800000000 ] - [ -0.0049163200000000, -0.0049163200000000, -0.0040404200000000 ] - [ 0.0049163200000000, -0.0049163200000000, -0.0040404200000000 ] - [ -0.0049163200000000, 0.0049163200000000, -0.0040404200000000 ] - [ 0.0049163200000000, 0.0049163200000000, -0.0040404200000000 ] - [ 0.0000202300000000, 0.0000202300000000, -0.0042153500000000 ] - [ -0.0000202300000000, 0.0000202300000000, -0.0042153500000000 ] - [ 0.0000202300000000, -0.0000202300000000, -0.0042153500000000 ] - [ -0.0000202300000000, -0.0000202300000000, -0.0042153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076958600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027311700000000 ]