# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1c6e279f-4609-41b2-b680-4a1ac675e632/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 SrHfO3 / Imma (74) / materials id 13109](https://mdr.nims.go.jp/datasets/e331b038-c77a-4239-ba6e-de8e8c6b777f) ## 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: "Imma" number: 74 Hall_symbol: "-I 2b 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, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -4.043768295000000, 2.878013220000000, 2.888374530000000 ] # a - [ 4.043768295000000, -2.878013220000000, 2.888374530000000 ] # b - [ 4.043768295000000, 2.878013220000000, -2.888374530000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.791989700000000, 0.791989700000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.208010300000000, 0.708010300000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.208010300000000, 0.208010300000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.500000000000000, 0.791989700000000, 0.291989700000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.922880070000000, 0.672880070000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.077119930000000, 0.327119930000000, 0.750000000000000 ] mass: 15.999400 - symbol: Sr # 7 coordinates: [ 0.490770810000000, 0.240770810000000, 0.250000000000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.509229190000000, 0.759229190000000, 0.750000000000000 ] mass: 87.620000 - symbol: Hf # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 - symbol: Hf # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 178.490000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.173730960137841, 0.173107744444762 ] # a* - [ 0.123647044915564, 0.000000000000000, 0.173107744444762 ] # b* - [ 0.123647044915564, 0.173730960137841, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.087536589999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.756026440000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.776749060000000 ] # c points: - symbol: O # 1 coordinates: [ 0.791989700000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.708010300000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.708010300000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.291989700000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.250000000000000, 0.672880070000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.750000000000000, 0.327119930000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.291989700000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.208010300000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.208010300000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.791989700000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.750000000000000, 0.172880070000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.500000000000000, 0.250000000000000, 0.827119930000000 ] mass: 15.999400 reduced_to: 6 - symbol: Sr # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.240770810000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.000000000000000, 0.750000000000000, 0.759229190000000 ] mass: 87.620000 reduced_to: 14 - symbol: Sr # 15 coordinates: [ 0.500000000000000, 0.750000000000000, 0.740770810000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 16 coordinates: [ 0.500000000000000, 0.250000000000000, 0.259229190000000 ] mass: 87.620000 reduced_to: 14 - symbol: Hf # 17 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 18 - symbol: Hf # 19 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 20 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 18supercell: lattice: - [ 16.175073179999998, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.756026440000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.553498120000000 ] # c points: - symbol: O # 1 coordinates: [ 0.395994850000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.895994850000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.395994850000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.895994850000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.354005150000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.854005150000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.354005150000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.854005150000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.354005150000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.854005150000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.354005150000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.854005150000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.145994850000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.645994850000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.145994850000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.645994850000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.250000000000000, 0.336440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.250000000000000, 0.336440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.250000000000000, 0.836440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.250000000000000, 0.836440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.750000000000000, 0.163559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.750000000000000, 0.163559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.663559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.663559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.145994850000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.645994850000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.145994850000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.645994850000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.104005150000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.604005150000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.104005150000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.604005150000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.104005150000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.604005150000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.104005150000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.604005150000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.395994850000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.895994850000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.395994850000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.895994850000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.250000000000000, 0.750000000000000, 0.086440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.750000000000000, 0.750000000000000, 0.086440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.750000000000000, 0.586440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.750000000000000, 0.750000000000000, 0.586440035000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.413559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.413559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.250000000000000, 0.913559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.750000000000000, 0.250000000000000, 0.913559965000000 ] mass: 15.999400 reduced_to: 21 - symbol: Sr # 49 coordinates: [ 0.000000000000000, 0.250000000000000, 0.120385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 50 coordinates: [ 0.500000000000000, 0.250000000000000, 0.120385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 51 coordinates: [ 0.000000000000000, 0.250000000000000, 0.620385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 52 coordinates: [ 0.500000000000000, 0.250000000000000, 0.620385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 53 coordinates: [ 0.000000000000000, 0.750000000000000, 0.379614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 54 coordinates: [ 0.500000000000000, 0.750000000000000, 0.379614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 55 coordinates: [ 0.000000000000000, 0.750000000000000, 0.879614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 56 coordinates: [ 0.500000000000000, 0.750000000000000, 0.879614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 57 coordinates: [ 0.250000000000000, 0.750000000000000, 0.370385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 58 coordinates: [ 0.750000000000000, 0.750000000000000, 0.370385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 59 coordinates: [ 0.250000000000000, 0.750000000000000, 0.870385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 60 coordinates: [ 0.750000000000000, 0.750000000000000, 0.870385405000000 ] mass: 87.620000 reduced_to: 49 - symbol: Sr # 61 coordinates: [ 0.250000000000000, 0.250000000000000, 0.129614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 62 coordinates: [ 0.750000000000000, 0.250000000000000, 0.129614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 63 coordinates: [ 0.250000000000000, 0.250000000000000, 0.629614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Sr # 64 coordinates: [ 0.750000000000000, 0.250000000000000, 0.629614595000000 ] mass: 87.620000 reduced_to: 53 - symbol: Hf # 65 coordinates: [ 0.375000000000000, 0.750000000000000, 0.125000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 66 coordinates: [ 0.875000000000000, 0.750000000000000, 0.125000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 67 coordinates: [ 0.375000000000000, 0.750000000000000, 0.625000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 68 coordinates: [ 0.875000000000000, 0.750000000000000, 0.625000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 69 coordinates: [ 0.375000000000000, 0.250000000000000, 0.375000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 70 coordinates: [ 0.875000000000000, 0.250000000000000, 0.375000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 71 coordinates: [ 0.375000000000000, 0.250000000000000, 0.875000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 72 coordinates: [ 0.875000000000000, 0.250000000000000, 0.875000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 73 coordinates: [ 0.125000000000000, 0.250000000000000, 0.375000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 74 coordinates: [ 0.625000000000000, 0.250000000000000, 0.375000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 75 coordinates: [ 0.125000000000000, 0.250000000000000, 0.875000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 76 coordinates: [ 0.625000000000000, 0.250000000000000, 0.875000000000000 ] mass: 178.490000 reduced_to: 65 - symbol: Hf # 77 coordinates: [ 0.125000000000000, 0.750000000000000, 0.125000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 78 coordinates: [ 0.625000000000000, 0.750000000000000, 0.125000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 79 coordinates: [ 0.125000000000000, 0.750000000000000, 0.625000000000000 ] mass: 178.490000 reduced_to: 69 - symbol: Hf # 80 coordinates: [ 0.625000000000000, 0.750000000000000, 0.625000000000000 ] mass: 178.490000 reduced_to: 69born_effective_charge:- # 1 (O) - [ -1.853020530000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.176632350000000, 1.297616920000000 ] - [ -0.000000000000000, 1.251197460000000, -3.171433490000000 ]- # 2 (O) - [ -1.853020530000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.176632350000000, -1.297616920000000 ] - [ 0.000000000000000, -1.251197460000000, -3.171433490000000 ]- # 3 (O) - [ -1.853020530000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.176632350000000, 1.297616920000000 ] - [ -0.000000000000000, 1.251197460000000, -3.171433490000000 ]- # 4 (O) - [ -1.853020530000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.176632350000000, -1.297616920000000 ] - [ 0.000000000000000, -1.251197460000000, -3.171433490000000 ]- # 5 (O) - [ -4.478974660000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.761265770000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.031426540000000 ]- # 6 (O) - [ -4.478974660000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.761265770000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.031426540000000 ]- # 7 (Sr) - [ 2.435185880000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.509355230000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.620941750000000 ]- # 8 (Sr) - [ 2.435185880000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.509355230000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.620941750000000 ]- # 9 (Hf) - [ 5.749829840000000, -0.000000000000000, 0.249031430000000 ] - [ 0.000000000000000, 5.605175240000000, 0.000000000000000 ] - [ -0.478889150000000, 0.000000000000000, 5.753351770000000 ]- # 10 (Hf) - [ 5.749829840000000, -0.000000000000000, -0.249031430000000 ] - [ 0.000000000000000, 5.605175240000000, -0.000000000000000 ] - [ 0.478889150000000, -0.000000000000000, 5.753351770000000 ]dielectric_constant: - [ 4.481585170000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.448830020000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.501006620000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0549317200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009074200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025888000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004493400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030155900000000, -0.0004916800000000, -0.0047251000000000 ] - [ 0.0019908600000000, -0.0000055200000000, 0.0001116600000000 ] - [ -0.0030155900000000, 0.0004916800000000, 0.0047251000000000 ] - [ 0.0019908600000000, 0.0000055200000000, -0.0001116600000000 ] - [ 0.0003694100000000, 0.0030441500000000, -0.0035590200000000 ] - [ 0.0020344700000000, -0.0000033500000000, 0.0001320000000000 ] - [ 0.0003694100000000, -0.0030441500000000, 0.0035590200000000 ] - [ 0.0020344700000000, 0.0000033500000000, -0.0001320000000000 ] - [ 0.0003246200000000, -0.0005074200000000, -0.0014944500000000 ] - [ 0.0003208800000000, 0.0005978200000000, 0.0016650200000000 ] - [ 0.0003246200000000, 0.0005074200000000, 0.0014944500000000 ] - [ 0.0003208800000000, -0.0005978200000000, -0.0016650200000000 ] - [ 0.0023356700000000, 0.0000425800000000, -0.0002540300000000 ] - [ -0.0031608500000000, -0.0002201900000000, 0.0026969400000000 ] - [ 0.0039742200000000, -0.0000410500000000, 0.0004124400000000 ] - [ 0.0003970800000000, 0.0060982500000000, -0.0080367100000000 ] - [ 0.0039742200000000, 0.0000410500000000, -0.0004124400000000 ] - [ 0.0003970800000000, -0.0060982500000000, 0.0080367100000000 ] - [ 0.0023356700000000, -0.0000425800000000, 0.0002540300000000 ] - [ -0.0031608500000000, 0.0002201900000000, -0.0026969400000000 ] - [ 0.0009425800000000, 0.0005876900000000, -0.0020871300000000 ] - [ 0.0009454300000000, -0.0009072500000000, 0.0020170600000000 ] - [ 0.0009425800000000, -0.0005876900000000, 0.0020871300000000 ] - [ 0.0009454300000000, 0.0009072500000000, -0.0020170600000000 ] - [ 0.0026843400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028596200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012239900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005680700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028117200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0058060300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012718400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006038700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0104912400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008797400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025349100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004299700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0088827600000000, 0.0078192400000000, -0.0064651200000000 ] - [ 0.0039164200000000, -0.0001722200000000, 0.0003850600000000 ] - [ -0.0011977300000000, -0.0000872900000000, 0.0003515100000000 ] - [ 0.0020023800000000, 0.0000284600000000, -0.0001060400000000 ] - [ -0.0011977300000000, 0.0000872900000000, -0.0003515100000000 ] - [ 0.0020023800000000, -0.0000284600000000, 0.0001060400000000 ] - [ 0.0088827600000000, -0.0078192400000000, 0.0064651200000000 ] - [ 0.0039164200000000, 0.0001722200000000, -0.0003850600000000 ] - [ -0.0019645500000000, -0.0000017700000000, 0.0004981100000000 ] - [ 0.0064260400000000, -0.0001439300000000, -0.0014310200000000 ] - [ -0.0014634300000000, -0.0000283100000000, -0.0001117000000000 ] - [ 0.0021717800000000, 0.0001548600000000, 0.0015881800000000 ] - [ -0.0014634300000000, 0.0000283100000000, 0.0001117000000000 ] - [ 0.0021717800000000, -0.0001548600000000, -0.0015881800000000 ] - [ -0.0019645500000000, 0.0000017700000000, -0.0004981100000000 ] - [ 0.0064260400000000, 0.0001439300000000, 0.0014310200000000 ] - [ 0.0005762800000000, 0.0000380500000000, 0.0015354100000000 ] - [ -0.0013708000000000, -0.0000481900000000, -0.0002459500000000 ] - [ -0.0030000500000000, -0.0034679800000000, -0.0053133300000000 ] - [ -0.0022414500000000, 0.0000515800000000, 0.0006780100000000 ] - [ -0.0030000500000000, 0.0034679800000000, 0.0053133300000000 ] - [ -0.0022414500000000, -0.0000515800000000, -0.0006780100000000 ] - [ 0.0005762800000000, -0.0000380500000000, -0.0015354100000000 ] - [ -0.0013708000000000, 0.0000481900000000, 0.0002459500000000 ] - [ 0.0230242600000000, 0.0072672700000000, -0.0073591700000000 ] - [ -0.0048527300000000, -0.0000091100000000, -0.0003339900000000 ] - [ 0.0056607100000000, -0.0002691200000000, -0.0018752500000000 ] - [ -0.0033107500000000, -0.0000166900000000, -0.0000137500000000 ] - [ 0.0056607100000000, 0.0002691200000000, 0.0018752500000000 ] - [ -0.0033107500000000, 0.0000166900000000, 0.0000137500000000 ] - [ 0.0230242600000000, -0.0072672700000000, 0.0073591700000000 ] - [ -0.0048527300000000, 0.0000091100000000, 0.0003339900000000 ] - [ -0.0014345900000000, -0.0002933800000000, 0.0017625100000000 ] - [ -0.0003669600000000, 0.0002585600000000, -0.0022119800000000 ] - [ -0.0073232200000000, -0.0003029700000000, -0.0022783700000000 ] - [ -0.0065677900000000, -0.0010071900000000, 0.0029529600000000 ] - [ -0.0073232200000000, 0.0003029700000000, 0.0022783700000000 ] - [ -0.0065677900000000, 0.0010071900000000, -0.0029529600000000 ] - [ -0.0014345900000000, 0.0002933800000000, -0.0017625100000000 ] - [ -0.0003669600000000, -0.0002585600000000, 0.0022119800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0530244100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022360600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012440100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017787200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0043772600000000, 0.0004760800000000, 0.0046724700000000 ] - [ -0.0006586600000000, 0.0000062300000000, -0.0001084500000000 ] - [ 0.0043772600000000, -0.0004760800000000, -0.0046724700000000 ] - [ -0.0006586600000000, -0.0000062300000000, 0.0001084500000000 ] - [ 0.0009673500000000, -0.0029336700000000, 0.0034477700000000 ] - [ -0.0007016100000000, 0.0000020900000000, -0.0001284200000000 ] - [ 0.0009673500000000, 0.0029336700000000, -0.0034477700000000 ] - [ -0.0007016100000000, -0.0000020900000000, 0.0001284200000000 ] - [ -0.0016507500000000, 0.0005109000000000, 0.0015050300000000 ] - [ -0.0016543700000000, -0.0005956500000000, -0.0016530200000000 ] - [ -0.0016507500000000, -0.0005109000000000, -0.0015050300000000 ] - [ -0.0016543700000000, 0.0005956500000000, 0.0016530200000000 ] - [ -0.0023277900000000, -0.0000427100000000, 0.0003517300000000 ] - [ 0.0031248600000000, 0.0002166200000000, -0.0025836300000000 ] - [ -0.0039744000000000, 0.0000426100000000, -0.0003200700000000 ] - [ -0.0004299200000000, -0.0060564600000000, 0.0080679800000000 ] - [ -0.0039744000000000, -0.0000426100000000, 0.0003200700000000 ] - [ -0.0004299200000000, 0.0060564600000000, -0.0080679800000000 ] - [ -0.0023277900000000, 0.0000427100000000, -0.0003517300000000 ] - [ 0.0031248600000000, -0.0002166200000000, 0.0025836300000000 ] - [ -0.0022762400000000, -0.0005914100000000, 0.0021057800000000 ] - [ -0.0022731800000000, 0.0009022900000000, -0.0020022700000000 ] - [ -0.0022762400000000, 0.0005914100000000, -0.0021057800000000 ] - [ -0.0022731800000000, -0.0009022900000000, 0.0020022700000000 ] - [ -0.0013558500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015234800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001138700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007550400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014805100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0044051600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000659900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007191600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0091402100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022085400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011934200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017591900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0089810900000000, -0.0079413400000000, 0.0066531900000000 ] - [ -0.0039077800000000, 0.0001689800000000, -0.0002846000000000 ] - [ 0.0012207300000000, 0.0000871900000000, -0.0002546700000000 ] - [ -0.0020043900000000, -0.0000282100000000, 0.0001994700000000 ] - [ 0.0012207300000000, -0.0000871900000000, 0.0002546700000000 ] - [ -0.0020043900000000, 0.0000282100000000, -0.0001994700000000 ] - [ -0.0089810900000000, 0.0079413400000000, -0.0066531900000000 ] - [ -0.0039077800000000, -0.0001689800000000, 0.0002846000000000 ] - [ 0.0019620000000000, 0.0000025900000000, -0.0001239300000000 ] - [ -0.0061850800000000, 0.0003147800000000, 0.0019783500000000 ] - [ 0.0014585800000000, 0.0000290700000000, 0.0004914300000000 ] - [ -0.0021490600000000, -0.0001549000000000, -0.0012092500000000 ] - [ 0.0014585800000000, -0.0000290700000000, -0.0004914300000000 ] - [ -0.0021490600000000, 0.0001549000000000, 0.0012092500000000 ] - [ 0.0019620000000000, -0.0000025900000000, 0.0001239300000000 ] - [ -0.0061850800000000, -0.0003147800000000, -0.0019783500000000 ] - [ -0.0005982200000000, -0.0000356500000000, -0.0011590900000000 ] - [ 0.0013682900000000, 0.0000464900000000, 0.0006201800000000 ] - [ 0.0029488100000000, 0.0034737200000000, 0.0057062400000000 ] - [ 0.0022344200000000, -0.0000508600000000, -0.0002955200000000 ] - [ 0.0029488100000000, -0.0034737200000000, -0.0057062400000000 ] - [ 0.0022344200000000, 0.0000508600000000, 0.0002955200000000 ] - [ -0.0005982200000000, 0.0000356500000000, 0.0011590900000000 ] - [ 0.0013682900000000, -0.0000464900000000, -0.0006201800000000 ] - [ -0.0228528900000000, -0.0071545600000000, 0.0072976900000000 ] - [ 0.0048447100000000, 0.0000095700000000, 0.0003301500000000 ] - [ -0.0056332400000000, 0.0002755500000000, 0.0018370800000000 ] - [ 0.0033039700000000, 0.0000163000000000, 0.0000180000000000 ] - [ -0.0056332400000000, -0.0002755500000000, -0.0018370800000000 ] - [ 0.0033039700000000, -0.0000163000000000, -0.0000180000000000 ] - [ -0.0228528900000000, 0.0071545600000000, -0.0072976900000000 ] - [ 0.0048447100000000, -0.0000095700000000, -0.0003301500000000 ] - [ 0.0014113800000000, 0.0002953800000000, -0.0017770200000000 ] - [ 0.0003829300000000, -0.0002549000000000, 0.0021976100000000 ] - [ 0.0073383800000000, 0.0003045700000000, 0.0022932200000000 ] - [ 0.0065607000000000, 0.0009908300000000, -0.0029202100000000 ] - [ 0.0073383800000000, -0.0003045700000000, -0.0022932200000000 ] - [ 0.0065607000000000, -0.0009908300000000, 0.0029202100000000 ] - [ 0.0014113800000000, -0.0002953800000000, 0.0017770200000000 ] - [ 0.0003829300000000, 0.0002549000000000, -0.0021976100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003094800000000, -0.1387709700000000, 0.0929439900000000 ] - [ -0.0006660000000000, -0.0002324100000000, 0.0004052100000000 ] - [ -0.0006656500000000, 0.0026321100000000, -0.0043199800000000 ] - [ -0.0006661400000000, 0.0001376200000000, -0.0003105100000000 ] - [ 0.0011530000000000, -0.0050253800000000, -0.0029161300000000 ] - [ 0.0006702600000000, -0.0000438500000000, -0.0000472100000000 ] - [ 0.0001862100000000, -0.0050888200000000, -0.0028537200000000 ] - [ 0.0006587600000000, -0.0000434500000000, -0.0000471000000000 ] - [ 0.0036444200000000, 0.0174707900000000, -0.0145093200000000 ] - [ 0.0006616400000000, 0.0000604000000000, -0.0000625000000000 ] - [ -0.0023332800000000, 0.0176329800000000, -0.0145947900000000 ] - [ 0.0006673400000000, 0.0000601700000000, -0.0000621000000000 ] - [ -0.0000693300000000, -0.0006125900000000, -0.0003678700000000 ] - [ -0.0011731600000000, -0.0006136400000000, -0.0002629900000000 ] - [ -0.0012628000000000, -0.0006135000000000, -0.0003679600000000 ] - [ -0.0001562100000000, -0.0006131600000000, -0.0002593800000000 ] - [ 0.0004191200000000, 0.0000312100000000, -0.0001513800000000 ] - [ -0.0016452400000000, 0.0002184700000000, 0.0005866500000000 ] - [ -0.0012278600000000, 0.0000422600000000, -0.0000100500000000 ] - [ 0.0122681800000000, 0.0033168500000000, -0.0065286300000000 ] - [ 0.0012233800000000, 0.0000423200000000, -0.0001058900000000 ] - [ -0.0121908900000000, 0.0033636300000000, -0.0066067400000000 ] - [ -0.0004218100000000, 0.0000308300000000, -0.0002463400000000 ] - [ 0.0016508300000000, 0.0002225300000000, 0.0004932200000000 ] - [ 0.0002397300000000, 0.0009536100000000, -0.0005798800000000 ] - [ -0.0012547900000000, 0.0009563200000000, -0.0002961100000000 ] - [ -0.0015703600000000, 0.0009559000000000, -0.0005775500000000 ] - [ -0.0000768500000000, 0.0009537800000000, -0.0002915900000000 ] - [ 0.0006653100000000, 0.0013117100000000, 0.0016005900000000 ] - [ 0.0006653200000000, 0.0022511100000000, 0.0008924200000000 ] - [ 0.0006647400000000, -0.0004220400000000, -0.0009200900000000 ] - [ 0.0006661100000000, -0.0000588100000000, -0.0008621200000000 ] - [ 0.0006651200000000, -0.0016030100000000, 0.0017578700000000 ] - [ 0.0006470100000000, -0.0020556300000000, 0.0011888200000000 ] - [ 0.0006646300000000, 0.0004923300000000, -0.0009749800000000 ] - [ 0.0006662700000000, 0.0000528500000000, -0.0009048300000000 ] - [ -0.0006643700000000, 0.0520519800000000, 0.0097451500000000 ] - [ -0.0006658200000000, 0.0002105100000000, 0.0003907300000000 ] - [ -0.0006644400000000, -0.0011729100000000, -0.0036774900000000 ] - [ -0.0006658700000000, -0.0001243500000000, -0.0002995300000000 ] - [ 0.0134691600000000, 0.0031164000000000, -0.0015246500000000 ] - [ -0.0009747700000000, 0.0000240000000000, 0.0004861600000000 ] - [ -0.0012369900000000, 0.0003080100000000, -0.0015987600000000 ] - [ 0.0002175900000000, 0.0000129500000000, -0.0002462900000000 ] - [ 0.0012327200000000, 0.0003053500000000, -0.0016932500000000 ] - [ -0.0002173900000000, 0.0000128600000000, -0.0003413900000000 ] - [ -0.0135302600000000, 0.0030550200000000, -0.0016074400000000 ] - [ 0.0009717500000000, 0.0000215700000000, 0.0003927700000000 ] - [ -0.0001505700000000, -0.0000100700000000, -0.0001599700000000 ] - [ 0.0007202300000000, 0.0039608700000000, -0.0021992700000000 ] - [ 0.0001530000000000, 0.0000116800000000, 0.0005584200000000 ] - [ -0.0007944200000000, 0.0002562900000000, 0.0026035100000000 ] - [ -0.0001523800000000, 0.0000110900000000, 0.0001805900000000 ] - [ 0.0007902900000000, 0.0002538300000000, 0.0022248600000000 ] - [ 0.0001511500000000, -0.0000108400000000, -0.0005375700000000 ] - [ -0.0005389100000000, 0.0037750300000000, -0.0027391300000000 ] - [ -0.0012056300000000, 0.0004871500000000, 0.0025639700000000 ] - [ 0.0001264800000000, 0.0000050300000000, 0.0004994700000000 ] - [ -0.0024258400000000, -0.0014416700000000, -0.0056153700000000 ] - [ -0.0000727800000000, -0.0000094000000000, -0.0001347900000000 ] - [ 0.0023899900000000, -0.0013764300000000, -0.0059677200000000 ] - [ 0.0000761500000000, -0.0000079100000000, -0.0005106000000000 ] - [ 0.0012113600000000, 0.0004912300000000, 0.0021907600000000 ] - [ -0.0001275800000000, 0.0000061200000000, 0.0001207600000000 ] - [ 0.0053996000000000, 0.0211217900000000, -0.0231051000000000 ] - [ -0.0000553500000000, -0.0000086800000000, -0.0003787300000000 ] - [ -0.0021151800000000, -0.0025656200000000, 0.0076446700000000 ] - [ 0.0000459800000000, -0.0000158500000000, 0.0004089200000000 ] - [ 0.0021113800000000, -0.0025307000000000, 0.0076339500000000 ] - [ -0.0000448400000000, -0.0000162100000000, 0.0004085900000000 ] - [ -0.0058823700000000, 0.0227432500000000, -0.0252080300000000 ] - [ 0.0000604300000000, -0.0000096400000000, -0.0003798300000000 ] - [ -0.0012479200000000, -0.0001498700000000, 0.0014350700000000 ] - [ 0.0003285600000000, -0.0000255200000000, 0.0011244700000000 ] - [ 0.0061077200000000, 0.0001651600000000, -0.0003568600000000 ] - [ -0.0060684800000000, -0.0001500200000000, -0.0021918700000000 ] - [ -0.0061053100000000, 0.0001668500000000, -0.0003563000000000 ] - [ 0.0060672300000000, -0.0001664800000000, -0.0021691800000000 ] - [ 0.0012524000000000, -0.0001475400000000, 0.0014339200000000 ] - [ -0.0003332000000000, -0.0000268400000000, 0.0011213100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003023200000000, 0.0929451300000000, -0.1409754800000000 ] - [ -0.0006661500000000, 0.0004050100000000, -0.0007831900000000 ] - [ -0.0006596600000000, -0.0043204300000000, 0.0108726400000000 ] - [ -0.0006665700000000, -0.0003104900000000, 0.0007137500000000 ] - [ -0.0040693400000000, 0.0029022900000000, 0.0219389600000000 ] - [ 0.0007754200000000, 0.0000463800000000, 0.0000328900000000 ] - [ 0.0053293000000000, 0.0028680400000000, 0.0216918100000000 ] - [ 0.0005554200000000, 0.0000479200000000, 0.0000351200000000 ] - [ -0.0028472200000000, -0.0145822300000000, 0.0180622900000000 ] - [ 0.0007958000000000, -0.0000615800000000, 0.0000476500000000 ] - [ 0.0041607500000000, -0.0145215400000000, 0.0179373400000000 ] - [ 0.0005353100000000, -0.0000629300000000, 0.0000502100000000 ] - [ -0.0023257900000000, 0.0002599100000000, 0.0005392000000000 ] - [ 0.0008346800000000, 0.0003665500000000, 0.0005416900000000 ] - [ 0.0009920200000000, 0.0002630600000000, 0.0005528300000000 ] - [ -0.0021656100000000, 0.0003692900000000, 0.0005505000000000 ] - [ -0.0008362000000000, -0.0000248100000000, 0.0004127400000000 ] - [ 0.0031575400000000, 0.0000225100000000, 0.0036089900000000 ] - [ 0.0014134000000000, -0.0000455000000000, -0.0001676900000000 ] - [ -0.0155464600000000, -0.0068169400000000, 0.0052329100000000 ] - [ -0.0014088500000000, -0.0000456600000000, -0.0002689400000000 ] - [ 0.0156562500000000, -0.0068636900000000, 0.0051246800000000 ] - [ 0.0008306900000000, -0.0000253900000000, 0.0003198200000000 ] - [ -0.0031288500000000, 0.0000202100000000, 0.0035264300000000 ] - [ -0.0026746200000000, -0.0002925600000000, 0.0009121200000000 ] - [ 0.0014320300000000, -0.0005775100000000, 0.0009171600000000 ] - [ 0.0013442500000000, -0.0002956700000000, 0.0009287300000000 ] - [ -0.0027612900000000, -0.0005797100000000, 0.0009241400000000 ] - [ 0.0006678500000000, -0.0016008900000000, -0.0028207100000000 ] - [ 0.0006616000000000, -0.0008919600000000, -0.0055255500000000 ] - [ 0.0006623900000000, 0.0009200100000000, 0.0021694500000000 ] - [ 0.0006693300000000, 0.0008619100000000, 0.0028768200000000 ] - [ 0.0006683700000000, 0.0017582500000000, -0.0028625000000000 ] - [ 0.0006456300000000, 0.0011882900000000, -0.0052417700000000 ] - [ 0.0006631400000000, -0.0009748000000000, 0.0021132800000000 ] - [ 0.0006687300000000, -0.0009045900000000, 0.0028284100000000 ] - [ -0.0006601900000000, -0.0097440800000000, -0.0206206000000000 ] - [ -0.0006659200000000, -0.0003903600000000, -0.0007719600000000 ] - [ -0.0006622700000000, 0.0036781000000000, 0.0086107000000000 ] - [ -0.0006664300000000, 0.0002995100000000, 0.0006992700000000 ] - [ -0.0130483500000000, -0.0038856800000000, -0.0036936500000000 ] - [ 0.0017902600000000, -0.0000191900000000, -0.0009599100000000 ] - [ 0.0030111400000000, 0.0001086300000000, 0.0037898000000000 ] - [ -0.0009497100000000, -0.0000339000000000, 0.0009559900000000 ] - [ -0.0030356300000000, 0.0001119700000000, 0.0036937700000000 ] - [ 0.0009539000000000, -0.0000342400000000, 0.0008601100000000 ] - [ 0.0130584400000000, -0.0039227800000000, -0.0037064000000000 ] - [ -0.0017928100000000, -0.0000209700000000, -0.0010520300000000 ] - [ 0.0003798600000000, 0.0000114700000000, 0.0008944200000000 ] - [ -0.0014748100000000, -0.0003477700000000, 0.0090445500000000 ] - [ -0.0003880000000000, -0.0000187000000000, -0.0005489100000000 ] - [ 0.0018766500000000, 0.0000488100000000, -0.0050947900000000 ] - [ 0.0003895400000000, -0.0000194800000000, -0.0009233100000000 ] - [ -0.0018945700000000, 0.0000516900000000, -0.0054719300000000 ] - [ -0.0003810400000000, 0.0000105700000000, 0.0005143700000000 ] - [ 0.0016826900000000, -0.0005085600000000, 0.0084798900000000 ] - [ 0.0029253100000000, 0.0003263000000000, -0.0043408500000000 ] - [ -0.0005005400000000, -0.0000501800000000, -0.0007315800000000 ] - [ -0.0070936800000000, -0.0027383000000000, 0.0042507200000000 ] - [ 0.0005452000000000, 0.0000437900000000, 0.0011623100000000 ] - [ 0.0070406400000000, -0.0027126800000000, 0.0039611600000000 ] - [ -0.0005411400000000, 0.0000456400000000, 0.0007893900000000 ] - [ -0.0029038700000000, 0.0003192100000000, -0.0047223900000000 ] - [ 0.0004968900000000, -0.0000486000000000, -0.0011111600000000 ] - [ -0.0038016100000000, -0.0150141500000000, 0.0392759100000000 ] - [ -0.0002195000000000, 0.0000076900000000, 0.0008284600000000 ] - [ 0.0028413000000000, -0.0022432800000000, -0.0191663200000000 ] - [ 0.0001589700000000, 0.0000194300000000, -0.0008596200000000 ] - [ -0.0028621800000000, -0.0022851700000000, -0.0191955500000000 ] - [ -0.0001586900000000, 0.0000187100000000, -0.0008575000000000 ] - [ 0.0032886700000000, -0.0128335100000000, 0.0376135900000000 ] - [ 0.0002211600000000, 0.0000064100000000, 0.0008245200000000 ] - [ 0.0029789500000000, 0.0001638200000000, -0.0031271900000000 ] - [ -0.0027902500000000, 0.0002719700000000, -0.0044246100000000 ] - [ -0.0070188100000000, -0.0001317500000000, 0.0022323400000000 ] - [ 0.0092604500000000, -0.0001378600000000, 0.0056850200000000 ] - [ 0.0069960800000000, -0.0001299700000000, 0.0022500400000000 ] - [ -0.0092638600000000, -0.0001535100000000, 0.0057230400000000 ] - [ -0.0029586100000000, 0.0001663900000000, -0.0031431400000000 ] - [ 0.0027754500000000, 0.0002686800000000, -0.0044326900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016626100000000, 0.0004227500000000, -0.0008370400000000 ] - [ -0.0037847400000000, -0.0016372400000000, 0.0031480000000000 ] - [ 0.0033106100000000, -0.0012334400000000, 0.0014194600000000 ] - [ -0.0001840100000000, 0.0121897800000000, -0.0155708500000000 ] - [ 0.0045784000000000, -0.0009802500000000, -0.0018026300000000 ] - [ 0.0095890200000000, 0.0134184100000000, 0.0129805600000000 ] - [ 0.0026661400000000, 0.0002186800000000, 0.0009557300000000 ] - [ -0.0005351100000000, -0.0012324700000000, -0.0030195200000000 ] - [ 0.0045784000000000, 0.0009802500000000, -0.0018026300000000 ] - [ 0.0095890200000000, -0.0134184100000000, 0.0129805600000000 ] - [ 0.0026661400000000, -0.0002186800000000, 0.0009557300000000 ] - [ -0.0005351100000000, 0.0012324700000000, -0.0030195200000000 ] - [ 0.0082738200000000, -0.0135819600000000, -0.0131274000000000 ] - [ 0.0032453700000000, 0.0009655500000000, 0.0017813200000000 ] - [ -0.0018834000000000, 0.0012368500000000, 0.0030279700000000 ] - [ 0.0013402300000000, -0.0002161900000000, -0.0009476100000000 ] - [ -0.2302901300000000, 0.0000000000000000, -0.0013430800000000 ] - [ 0.0123284000000000, 0.0000000000000000, 0.0000437600000000 ] - [ -0.0066604200000000, 0.0000000000000000, 0.0000503400000000 ] - [ 0.0048922100000000, 0.0000000000000000, 0.0000505800000000 ] - [ -0.0135791800000000, 0.0000000000000000, -0.0000109200000000 ] - [ 0.0069260000000000, 0.0000000000000000, -0.0000534000000000 ] - [ -0.0120278300000000, 0.0000000000000000, -0.0000482200000000 ] - [ 0.0065512300000000, 0.0000000000000000, -0.0000461400000000 ] - [ 0.0082738200000000, 0.0135819600000000, -0.0131274000000000 ] - [ 0.0032453700000000, -0.0009655500000000, 0.0017813200000000 ] - [ -0.0018834000000000, -0.0012368500000000, 0.0030279700000000 ] - [ 0.0013402300000000, 0.0002161900000000, -0.0009476100000000 ] - [ -0.0024999700000000, -0.0016587400000000, -0.0031385100000000 ] - [ 0.0030001600000000, 0.0004186200000000, 0.0008293100000000 ] - [ 0.0010114100000000, 0.0122705900000000, 0.0156303100000000 ] - [ 0.0046371800000000, -0.0012182700000000, -0.0014027700000000 ] - [ -0.0024999700000000, 0.0016587400000000, -0.0031385100000000 ] - [ 0.0030001600000000, -0.0004186200000000, 0.0008293100000000 ] - [ 0.0010114100000000, -0.0122705900000000, 0.0156303100000000 ] - [ 0.0046371800000000, 0.0012182700000000, -0.0014027700000000 ] - [ 0.0016626100000000, -0.0004227500000000, -0.0008370400000000 ] - [ -0.0037847400000000, 0.0016372400000000, 0.0031480000000000 ] - [ 0.0033106100000000, 0.0012334400000000, 0.0014194600000000 ] - [ -0.0001840100000000, -0.0121897800000000, -0.0155708500000000 ] - [ 0.0035813600000000, 0.0000000000000000, -0.0026931600000000 ] - [ 0.0036130400000000, 0.0000000000000000, 0.0027765800000000 ] - [ 0.0035809500000000, 0.0000000000000000, 0.0030574900000000 ] - [ 0.0036139100000000, 0.0000000000000000, -0.0029514000000000 ] - [ 0.0357292000000000, 0.0000000000000000, 0.0060518900000000 ] - [ 0.0352833800000000, 0.0000000000000000, -0.0060696900000000 ] - [ 0.0008975600000000, 0.0000000000000000, -0.0010182800000000 ] - [ 0.0009317700000000, 0.0000000000000000, 0.0009203100000000 ] - [ 0.0132038400000000, 0.0000000000000000, 0.0001401000000000 ] - [ -0.0039705100000000, 0.0000000000000000, 0.0001935400000000 ] - [ 0.0106985000000000, 0.0000000000000000, 0.0002543300000000 ] - [ -0.0039743300000000, 0.0000000000000000, 0.0001820400000000 ] - [ 0.0199944300000000, 0.0000000000000000, -0.0001368700000000 ] - [ -0.0048030600000000, 0.0000000000000000, -0.0001873100000000 ] - [ 0.0047257400000000, 0.0000000000000000, -0.0001977600000000 ] - [ -0.0031176000000000, 0.0000000000000000, -0.0001891400000000 ] - [ -0.0047441400000000, 0.0000000000000000, -0.0009129300000000 ] - [ -0.0047598900000000, 0.0000000000000000, 0.0012823000000000 ] - [ -0.0007718600000000, 0.0000000000000000, 0.0003245100000000 ] - [ -0.0007936300000000, 0.0000000000000000, 0.0000483100000000 ] - [ -0.0034107600000000, 0.0000000000000000, 0.0043868600000000 ] - [ -0.0034263300000000, 0.0000000000000000, -0.0047330500000000 ] - [ -0.0020604800000000, 0.0000000000000000, -0.0047459500000000 ] - [ -0.0020835500000000, 0.0000000000000000, 0.0043359300000000 ] - [ -0.0084923500000000, 0.0000000000000000, 0.0024857000000000 ] - [ 0.0112084600000000, 0.0000000000000000, -0.0163437500000000 ] - [ -0.0074661300000000, 0.0000000000000000, -0.0031247400000000 ] - [ 0.0050037800000000, 0.0000000000000000, 0.0142434800000000 ] - [ -0.0180765700000000, 0.0000000000000000, 0.0019948100000000 ] - [ 0.0475704200000000, 0.0000000000000000, -0.0048421600000000 ] - [ -0.0050311000000000, 0.0000000000000000, 0.0001424700000000 ] - [ 0.0049574400000000, 0.0000000000000000, -0.0002940900000000 ] - [ 0.0530518600000000, 0.0000000000000000, 0.0061761300000000 ] - [ -0.0180176000000000, 0.0000000000000000, -0.0019779600000000 ] - [ 0.0050074300000000, 0.0000000000000000, 0.0002565900000000 ] - [ -0.0050517400000000, 0.0000000000000000, -0.0001446900000000 ] - [ 0.0113597300000000, 0.0000000000000000, 0.0164144300000000 ] - [ -0.0085109000000000, 0.0000000000000000, -0.0024562400000000 ] - [ 0.0050376500000000, 0.0000000000000000, -0.0142389100000000 ] - [ -0.0074836400000000, 0.0000000000000000, 0.0030947400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006218100000000, 0.0000308500000000, -0.0000237700000000 ] - [ -0.0008855200000000, 0.0002245800000000, 0.0000197800000000 ] - [ -0.0007090900000000, 0.0000462900000000, -0.0000499300000000 ] - [ 0.0053719400000000, 0.0033600600000000, -0.0068145500000000 ] - [ 0.0004951000000000, 0.0000264600000000, 0.0000260600000000 ] - [ 0.0085171400000000, 0.0031033900000000, 0.0038985800000000 ] - [ 0.0006959200000000, 0.0000123800000000, 0.0000317700000000 ] - [ 0.0005756500000000, 0.0003077800000000, -0.0001074000000000 ] - [ 0.0008366700000000, 0.0000190800000000, -0.0000142900000000 ] - [ -0.0072421400000000, 0.0030681400000000, -0.0039104200000000 ] - [ 0.0006394300000000, 0.0000135800000000, -0.0000363500000000 ] - [ 0.0007503200000000, 0.0003056500000000, 0.0001131700000000 ] - [ -0.0085171400000000, 0.0031033900000000, 0.0038985800000000 ] - [ -0.0004951000000000, 0.0000264600000000, 0.0000260600000000 ] - [ -0.0005756500000000, 0.0003077800000000, -0.0001074000000000 ] - [ -0.0006959200000000, 0.0000123800000000, 0.0000317700000000 ] - [ 0.0000000000000000, -0.0336332700000000, 0.0000584800000000 ] - [ 0.0000000000000000, 0.0001312900000000, 0.0000506700000000 ] - [ 0.0000000000000000, 0.0000082900000000, 0.0000485900000000 ] - [ 0.0000000000000000, 0.0000207500000000, 0.0000468600000000 ] - [ 0.0000000000000000, 0.0039552900000000, -0.0000861700000000 ] - [ 0.0000000000000000, 0.0000429200000000, -0.0000451900000000 ] - [ 0.0000000000000000, 0.0006823300000000, -0.0000454600000000 ] - [ 0.0000000000000000, 0.0000239600000000, -0.0000503600000000 ] - [ 0.0072421400000000, 0.0030681400000000, -0.0039104200000000 ] - [ -0.0008366700000000, 0.0000190800000000, -0.0000142900000000 ] - [ -0.0007503200000000, 0.0003056500000000, 0.0001131700000000 ] - [ -0.0006394300000000, 0.0000135800000000, -0.0000363500000000 ] - [ 0.0004487400000000, 0.0002165300000000, -0.0000230300000000 ] - [ 0.0007076000000000, 0.0000312000000000, 0.0000268100000000 ] - [ 0.0067829100000000, 0.0033207700000000, 0.0068661400000000 ] - [ 0.0006253700000000, 0.0000383700000000, 0.0000411800000000 ] - [ 0.0008855200000000, 0.0002245800000000, 0.0000197800000000 ] - [ 0.0006218100000000, 0.0000308500000000, -0.0000237700000000 ] - [ -0.0053719400000000, 0.0033600600000000, -0.0068145500000000 ] - [ 0.0007090900000000, 0.0000462900000000, -0.0000499300000000 ] - [ -0.0007076000000000, 0.0000312000000000, 0.0000268100000000 ] - [ -0.0004487400000000, 0.0002165300000000, -0.0000230300000000 ] - [ -0.0006253700000000, 0.0000383700000000, 0.0000411800000000 ] - [ -0.0067829100000000, 0.0033207700000000, 0.0068661400000000 ] - [ 0.0000105000000000, 0.0007478100000000, 0.0000468200000000 ] - [ -0.0000105000000000, 0.0007478100000000, 0.0000468200000000 ] - [ 0.0000093300000000, 0.0007479200000000, 0.0000453300000000 ] - [ -0.0000093300000000, 0.0007479200000000, 0.0000453300000000 ] - [ -0.0000817700000000, 0.0017110100000000, -0.0000666500000000 ] - [ 0.0000817700000000, 0.0017110100000000, -0.0000666500000000 ] - [ 0.0000045600000000, 0.0000355700000000, -0.0000477100000000 ] - [ -0.0000045600000000, 0.0000355700000000, -0.0000477100000000 ] - [ 0.0000000000000000, 0.0043096800000000, 0.0002165900000000 ] - [ 0.0000000000000000, 0.0000137600000000, 0.0001852300000000 ] - [ 0.0000000000000000, 0.0023907100000000, 0.0001962400000000 ] - [ 0.0000000000000000, 0.0000191300000000, 0.0001913800000000 ] - [ 0.0000000000000000, -0.0194530800000000, -0.0001922700000000 ] - [ 0.0000000000000000, -0.0000482100000000, -0.0001889800000000 ] - [ 0.0000000000000000, -0.0000023700000000, -0.0001857600000000 ] - [ 0.0000000000000000, 0.0000192000000000, -0.0001893100000000 ] - [ -0.0000073000000000, -0.0013347700000000, 0.0001872000000000 ] - [ 0.0000073000000000, -0.0013347700000000, 0.0001872000000000 ] - [ -0.0000026000000000, -0.0000016700000000, 0.0001891600000000 ] - [ 0.0000026000000000, -0.0000016700000000, 0.0001891600000000 ] - [ -0.0000034900000000, 0.0010480200000000, -0.0001928600000000 ] - [ 0.0000034900000000, 0.0010480200000000, -0.0001928600000000 ] - [ -0.0000062700000000, 0.0004861700000000, -0.0001809700000000 ] - [ 0.0000062700000000, 0.0004861700000000, -0.0001809700000000 ] - [ -0.0000050300000000, -0.0001440700000000, -0.0000072600000000 ] - [ 0.0000273800000000, -0.0058879500000000, 0.0000120500000000 ] - [ -0.0000065000000000, -0.0000488600000000, 0.0000067200000000 ] - [ 0.0000137900000000, -0.0047647100000000, -0.0000127300000000 ] - [ 0.0000183400000000, 0.0000478800000000, -0.0000062400000000 ] - [ 0.0001836600000000, 0.0138791200000000, -0.0000218700000000 ] - [ -0.0000037700000000, -0.0000669400000000, 0.0000008900000000 ] - [ 0.0000022600000000, 0.0001801500000000, -0.0000009100000000 ] - [ -0.0001836600000000, 0.0138791200000000, -0.0000218700000000 ] - [ -0.0000183400000000, 0.0000478800000000, -0.0000062400000000 ] - [ -0.0000022600000000, 0.0001801500000000, -0.0000009100000000 ] - [ 0.0000037700000000, -0.0000669400000000, 0.0000008900000000 ] - [ -0.0000273800000000, -0.0058879500000000, 0.0000120500000000 ] - [ 0.0000050300000000, -0.0001440700000000, -0.0000072600000000 ] - [ -0.0000137900000000, -0.0047647100000000, -0.0000127300000000 ] - [ 0.0000065000000000, -0.0000488600000000, 0.0000067200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009663700000000, -0.0001997300000000, 0.0003694100000000 ] - [ 0.0019529100000000, 0.0005256200000000, 0.0035630100000000 ] - [ -0.0002999800000000, -0.0000542600000000, -0.0002234400000000 ] - [ -0.0087596200000000, -0.0065968100000000, 0.0051798100000000 ] - [ 0.0003291500000000, -0.0004356700000000, -0.0009999500000000 ] - [ 0.0072221800000000, 0.0015779300000000, -0.0036650900000000 ] - [ 0.0008198400000000, 0.0002930400000000, 0.0009047800000000 ] - [ 0.0003570900000000, 0.0016428700000000, 0.0037330500000000 ] - [ 0.0003291500000000, 0.0004356700000000, -0.0009999500000000 ] - [ 0.0072221800000000, -0.0015779300000000, -0.0036650900000000 ] - [ 0.0008198400000000, -0.0002930400000000, 0.0009047800000000 ] - [ 0.0003570900000000, -0.0016428700000000, 0.0037330500000000 ] - [ -0.0072221800000000, 0.0015779300000000, -0.0036650900000000 ] - [ -0.0003291500000000, -0.0004356700000000, -0.0009999500000000 ] - [ -0.0003570900000000, 0.0016428700000000, 0.0037330500000000 ] - [ -0.0008198400000000, 0.0002930400000000, 0.0009047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0723268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004789500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006656900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156200000000 ] - [ -0.0072221800000000, -0.0015779300000000, -0.0036650900000000 ] - [ -0.0003291500000000, 0.0004356700000000, -0.0009999500000000 ] - [ -0.0003570900000000, -0.0016428700000000, 0.0037330500000000 ] - [ -0.0008198400000000, -0.0002930400000000, 0.0009047800000000 ] - [ -0.0019529100000000, -0.0005256200000000, 0.0035630100000000 ] - [ 0.0009663700000000, 0.0001997300000000, 0.0003694100000000 ] - [ 0.0087596200000000, 0.0065968100000000, 0.0051798100000000 ] - [ 0.0002999800000000, 0.0000542600000000, -0.0002234400000000 ] - [ -0.0019529100000000, 0.0005256200000000, 0.0035630100000000 ] - [ 0.0009663700000000, -0.0001997300000000, 0.0003694100000000 ] - [ 0.0087596200000000, -0.0065968100000000, 0.0051798100000000 ] - [ 0.0002999800000000, -0.0000542600000000, -0.0002234400000000 ] - [ -0.0009663700000000, 0.0001997300000000, 0.0003694100000000 ] - [ 0.0019529100000000, -0.0005256200000000, 0.0035630100000000 ] - [ -0.0002999800000000, 0.0000542600000000, -0.0002234400000000 ] - [ -0.0087596200000000, 0.0065968100000000, 0.0051798100000000 ] - [ -0.0029946600000000, 0.0000000000000000, 0.0006934100000000 ] - [ 0.0029946600000000, 0.0000000000000000, 0.0006934100000000 ] - [ 0.0027444300000000, 0.0000000000000000, 0.0006834500000000 ] - [ -0.0027444300000000, 0.0000000000000000, 0.0006834500000000 ] - [ 0.0059858300000000, 0.0000000000000000, 0.0017426800000000 ] - [ -0.0059858300000000, 0.0000000000000000, 0.0017426800000000 ] - [ -0.0009573700000000, 0.0000000000000000, 0.0010502200000000 ] - [ 0.0009573700000000, 0.0000000000000000, 0.0010502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0150986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003858400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006937100000000 ] - [ -0.0000926200000000, 0.0000000000000000, 0.0033013300000000 ] - [ 0.0000926200000000, 0.0000000000000000, 0.0033013300000000 ] - [ 0.0005808800000000, 0.0000000000000000, -0.0015239400000000 ] - [ -0.0005808800000000, 0.0000000000000000, -0.0015239400000000 ] - [ 0.0019775100000000, 0.0000000000000000, -0.0002061800000000 ] - [ -0.0019775100000000, 0.0000000000000000, -0.0002061800000000 ] - [ -0.0012177300000000, 0.0000000000000000, -0.0015983300000000 ] - [ 0.0012177300000000, 0.0000000000000000, -0.0015983300000000 ] - [ 0.0017951500000000, 0.0000000000000000, 0.0006201900000000 ] - [ -0.0048238800000000, 0.0000000000000000, -0.0020598600000000 ] - [ -0.0013785300000000, 0.0000000000000000, -0.0008611000000000 ] - [ 0.0028076900000000, 0.0000000000000000, -0.0080599700000000 ] - [ -0.0016953800000000, 0.0000000000000000, 0.0017556000000000 ] - [ -0.0125627400000000, 0.0000000000000000, 0.0223215500000000 ] - [ 0.0004893100000000, 0.0000000000000000, -0.0014189400000000 ] - [ -0.0021060200000000, 0.0000000000000000, -0.0074351600000000 ] - [ 0.0125627400000000, 0.0000000000000000, 0.0223215500000000 ] - [ 0.0016953800000000, 0.0000000000000000, 0.0017556000000000 ] - [ 0.0021060200000000, 0.0000000000000000, -0.0074351600000000 ] - [ -0.0004893100000000, 0.0000000000000000, -0.0014189400000000 ] - [ 0.0048238800000000, 0.0000000000000000, -0.0020598600000000 ] - [ -0.0017951500000000, 0.0000000000000000, 0.0006201900000000 ] - [ -0.0028076900000000, 0.0000000000000000, -0.0080599700000000 ] - [ 0.0013785300000000, 0.0000000000000000, -0.0008611000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003605700000000, 0.0001979300000000, -0.0003632100000000 ] - [ -0.0033282300000000, -0.0005560200000000, -0.0035743800000000 ] - [ -0.0010325000000000, 0.0000617500000000, 0.0002131800000000 ] - [ 0.0073461400000000, 0.0065403200000000, -0.0051775100000000 ] - [ 0.0009989200000000, 0.0004431600000000, 0.0010123700000000 ] - [ -0.0058949700000000, -0.0015546200000000, 0.0037373800000000 ] - [ 0.0005146500000000, -0.0002942500000000, -0.0009117800000000 ] - [ 0.0009635000000000, -0.0016494800000000, -0.0037519300000000 ] - [ 0.0009989200000000, -0.0004431600000000, 0.0010123700000000 ] - [ -0.0058949700000000, 0.0015546200000000, 0.0037373800000000 ] - [ 0.0005146500000000, 0.0002942500000000, -0.0009117800000000 ] - [ 0.0009635000000000, 0.0016494800000000, -0.0037519300000000 ] - [ 0.0058949700000000, -0.0015546200000000, 0.0037373800000000 ] - [ -0.0009989200000000, 0.0004431600000000, 0.0010123700000000 ] - [ -0.0009635000000000, -0.0016494800000000, -0.0037519300000000 ] - [ -0.0005146500000000, -0.0002942500000000, -0.0009117800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0740661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003961800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004151100000000 ] - [ 0.0058949700000000, 0.0015546200000000, 0.0037373800000000 ] - [ -0.0009989200000000, -0.0004431600000000, 0.0010123700000000 ] - [ -0.0009635000000000, 0.0016494800000000, -0.0037519300000000 ] - [ -0.0005146500000000, 0.0002942500000000, -0.0009117800000000 ] - [ 0.0033282300000000, 0.0005560200000000, -0.0035743800000000 ] - [ 0.0003605700000000, -0.0001979300000000, -0.0003632100000000 ] - [ -0.0073461400000000, -0.0065403200000000, -0.0051775100000000 ] - [ 0.0010325000000000, -0.0000617500000000, 0.0002131800000000 ] - [ 0.0033282300000000, -0.0005560200000000, -0.0035743800000000 ] - [ 0.0003605700000000, 0.0001979300000000, -0.0003632100000000 ] - [ -0.0073461400000000, 0.0065403200000000, -0.0051775100000000 ] - [ 0.0010325000000000, 0.0000617500000000, 0.0002131800000000 ] - [ -0.0003605700000000, -0.0001979300000000, -0.0003632100000000 ] - [ -0.0033282300000000, 0.0005560200000000, -0.0035743800000000 ] - [ -0.0010325000000000, -0.0000617500000000, 0.0002131800000000 ] - [ 0.0073461400000000, -0.0065403200000000, -0.0051775100000000 ] - [ 0.0030139900000000, 0.0000000000000000, -0.0005866500000000 ] - [ -0.0030139900000000, 0.0000000000000000, -0.0005866500000000 ] - [ -0.0027270900000000, 0.0000000000000000, -0.0005971600000000 ] - [ 0.0027270900000000, 0.0000000000000000, -0.0005971600000000 ] - [ -0.0061359600000000, 0.0000000000000000, -0.0018411700000000 ] - [ 0.0061359600000000, 0.0000000000000000, -0.0018411700000000 ] - [ 0.0009815400000000, 0.0000000000000000, -0.0011431400000000 ] - [ -0.0009815400000000, 0.0000000000000000, -0.0011431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0160887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007672200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034841400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003149000000000 ] - [ 0.0000913400000000, 0.0000000000000000, -0.0029195900000000 ] - [ -0.0000913400000000, 0.0000000000000000, -0.0029195900000000 ] - [ -0.0005957000000000, 0.0000000000000000, 0.0019069500000000 ] - [ 0.0005957000000000, 0.0000000000000000, 0.0019069500000000 ] - [ -0.0019900800000000, 0.0000000000000000, -0.0001930500000000 ] - [ 0.0019900800000000, 0.0000000000000000, -0.0001930500000000 ] - [ 0.0012111300000000, 0.0000000000000000, 0.0012421400000000 ] - [ -0.0012111300000000, 0.0000000000000000, 0.0012421400000000 ] - [ -0.0018013700000000, 0.0000000000000000, -0.0006395500000000 ] - [ 0.0048952900000000, 0.0000000000000000, 0.0019776900000000 ] - [ 0.0013654000000000, 0.0000000000000000, 0.0008769900000000 ] - [ -0.0027970400000000, 0.0000000000000000, 0.0080845500000000 ] - [ 0.0017300000000000, 0.0000000000000000, -0.0017666400000000 ] - [ 0.0125077800000000, 0.0000000000000000, -0.0225272500000000 ] - [ -0.0005048400000000, 0.0000000000000000, 0.0014197500000000 ] - [ 0.0021568200000000, 0.0000000000000000, 0.0074817300000000 ] - [ -0.0125077800000000, 0.0000000000000000, -0.0225272500000000 ] - [ -0.0017300000000000, 0.0000000000000000, -0.0017666400000000 ] - [ -0.0021568200000000, 0.0000000000000000, 0.0074817300000000 ] - [ 0.0005048400000000, 0.0000000000000000, 0.0014197500000000 ] - [ -0.0048952900000000, 0.0000000000000000, 0.0019776900000000 ] - [ 0.0018013700000000, 0.0000000000000000, -0.0006395500000000 ] - [ 0.0027970400000000, 0.0000000000000000, 0.0080845500000000 ] - [ -0.0013654000000000, 0.0000000000000000, 0.0008769900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026286700000000, -0.0001505800000000, 0.0003822100000000 ] - [ 0.0055165600000000, 0.0005458200000000, -0.0016729400000000 ] - [ -0.0021253800000000, 0.0001526700000000, -0.0003899800000000 ] - [ 0.0014879300000000, -0.0007945900000000, 0.0018870900000000 ] - [ -0.0015752200000000, -0.0000728700000000, -0.0005452900000000 ] - [ -0.0023300100000000, -0.0024044200000000, 0.0070484500000000 ] - [ -0.0007045300000000, 0.0001278100000000, 0.0004983600000000 ] - [ 0.0012501600000000, -0.0012066200000000, -0.0029131500000000 ] - [ -0.0015752200000000, 0.0000728700000000, -0.0005452900000000 ] - [ -0.0023300100000000, 0.0024044200000000, 0.0070484500000000 ] - [ -0.0007045300000000, -0.0001278100000000, 0.0004983600000000 ] - [ 0.0012501600000000, 0.0012066200000000, -0.0029131500000000 ] - [ -0.0036193500000000, 0.0024128900000000, -0.0070855800000000 ] - [ -0.0029008100000000, 0.0000744100000000, 0.0005416000000000 ] - [ -0.0000766900000000, 0.0012102800000000, 0.0029158800000000 ] - [ -0.0020352800000000, -0.0001261400000000, -0.0004977400000000 ] - [ 0.0132034100000000, 0.0000000000000000, 0.0000525100000000 ] - [ -0.0039720400000000, 0.0000000000000000, 0.0000448500000000 ] - [ 0.0106976400000000, 0.0000000000000000, 0.0000406300000000 ] - [ -0.0039763400000000, 0.0000000000000000, 0.0000474700000000 ] - [ 0.0199936100000000, 0.0000000000000000, -0.0000571300000000 ] - [ -0.0048038100000000, 0.0000000000000000, -0.0000457500000000 ] - [ 0.0047256700000000, 0.0000000000000000, -0.0000445500000000 ] - [ -0.0031190600000000, 0.0000000000000000, -0.0000472300000000 ] - [ -0.0036193500000000, -0.0024128900000000, -0.0070855800000000 ] - [ -0.0029008100000000, -0.0000744100000000, 0.0005416000000000 ] - [ -0.0000766900000000, -0.0012102800000000, 0.0029158800000000 ] - [ -0.0020352800000000, 0.0001261400000000, -0.0004977400000000 ] - [ 0.0070936600000000, 0.0007128900000000, 0.0014826600000000 ] - [ -0.0012985200000000, -0.0001508900000000, -0.0003783400000000 ] - [ 0.0028321700000000, -0.0007896300000000, -0.0018840900000000 ] - [ -0.0007971700000000, 0.0001522100000000, 0.0003873100000000 ] - [ 0.0070936600000000, -0.0007128900000000, 0.0014826600000000 ] - [ -0.0012985200000000, 0.0001508900000000, -0.0003783400000000 ] - [ 0.0028321700000000, 0.0007896300000000, -0.0018840900000000 ] - [ -0.0007971700000000, -0.0001522100000000, 0.0003873100000000 ] - [ -0.0026286700000000, 0.0001505800000000, 0.0003822100000000 ] - [ 0.0055165600000000, -0.0005458200000000, -0.0016729400000000 ] - [ -0.0021253800000000, -0.0001526700000000, -0.0003899800000000 ] - [ 0.0014879300000000, 0.0007945900000000, 0.0018870900000000 ] - [ -0.0047474400000000, 0.0000000000000000, 0.0001402600000000 ] - [ -0.0047564400000000, 0.0000000000000000, -0.0000437100000000 ] - [ -0.0007793100000000, 0.0000000000000000, -0.0005426000000000 ] - [ -0.0007868700000000, 0.0000000000000000, 0.0006335000000000 ] - [ -0.0020649000000000, 0.0000000000000000, -0.0012623400000000 ] - [ -0.0020798300000000, 0.0000000000000000, 0.0011665000000000 ] - [ -0.0034176000000000, 0.0000000000000000, 0.0019438700000000 ] - [ -0.0034208200000000, 0.0000000000000000, -0.0020238800000000 ] - [ -0.0609414200000000, 0.0000000000000000, 0.0006668300000000 ] - [ 0.0025954100000000, 0.0000000000000000, 0.0001884900000000 ] - [ -0.0033413300000000, 0.0000000000000000, 0.0001822100000000 ] - [ 0.0019493400000000, 0.0000000000000000, 0.0001886800000000 ] - [ -0.0064966700000000, 0.0000000000000000, -0.0002064100000000 ] - [ 0.0023516400000000, 0.0000000000000000, -0.0001870800000000 ] - [ -0.0095826000000000, 0.0000000000000000, -0.0001736400000000 ] - [ 0.0022154500000000, 0.0000000000000000, -0.0001903800000000 ] - [ 0.0024841500000000, 0.0000000000000000, 0.0024983200000000 ] - [ 0.0024821700000000, 0.0000000000000000, -0.0021139900000000 ] - [ 0.0024797200000000, 0.0000000000000000, -0.0018151400000000 ] - [ 0.0024871100000000, 0.0000000000000000, 0.0021910000000000 ] - [ 0.0092025800000000, 0.0000000000000000, -0.0002012700000000 ] - [ 0.0091033900000000, 0.0000000000000000, -0.0001720400000000 ] - [ 0.0007271300000000, 0.0000000000000000, -0.0002916300000000 ] - [ 0.0007305300000000, 0.0000000000000000, -0.0000864300000000 ] - [ 0.0068710200000000, 0.0000000000000000, 0.0001424400000000 ] - [ 0.0021463000000000, 0.0000000000000000, -0.0035980100000000 ] - [ 0.0033710700000000, 0.0000000000000000, 0.0000818200000000 ] - [ -0.0034907300000000, 0.0000000000000000, 0.0004703000000000 ] - [ 0.0050301500000000, 0.0000000000000000, 0.0010111100000000 ] - [ -0.0038060600000000, 0.0000000000000000, -0.0175470800000000 ] - [ 0.0052600400000000, 0.0000000000000000, -0.0012280200000000 ] - [ 0.0020439100000000, 0.0000000000000000, 0.0212629700000000 ] - [ -0.0039039800000000, 0.0000000000000000, 0.0176374100000000 ] - [ 0.0050307300000000, 0.0000000000000000, -0.0010022600000000 ] - [ 0.0020408500000000, 0.0000000000000000, -0.0213892500000000 ] - [ 0.0052608400000000, 0.0000000000000000, 0.0012214600000000 ] - [ 0.0020789600000000, 0.0000000000000000, 0.0036095000000000 ] - [ 0.0068671800000000, 0.0000000000000000, -0.0001459400000000 ] - [ -0.0034988900000000, 0.0000000000000000, -0.0004779100000000 ] - [ 0.0033784600000000, 0.0000000000000000, -0.0000813900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006682000000000, -0.0000104900000000, 0.0000121100000000 ] - [ -0.0009704700000000, 0.0037747300000000, -0.0004777100000000 ] - [ -0.0006938700000000, 0.0000114800000000, -0.0000189900000000 ] - [ -0.0005122600000000, 0.0002484300000000, 0.0000535000000000 ] - [ 0.0007163000000000, -0.0000093600000000, -0.0000458900000000 ] - [ -0.0028017900000000, -0.0014436700000000, 0.0027128400000000 ] - [ 0.0006186900000000, 0.0000059700000000, 0.0000497300000000 ] - [ 0.0007030200000000, 0.0004904800000000, -0.0003210100000000 ] - [ 0.0006140100000000, -0.0000081000000000, 0.0000439200000000 ] - [ 0.0041399600000000, -0.0013738500000000, -0.0027377600000000 ] - [ 0.0007134700000000, 0.0000048400000000, -0.0000491300000000 ] - [ 0.0006297500000000, 0.0004872600000000, 0.0003240800000000 ] - [ 0.0028017900000000, -0.0014436700000000, 0.0027128400000000 ] - [ -0.0007163000000000, -0.0000093600000000, -0.0000458900000000 ] - [ -0.0007030200000000, 0.0004904800000000, -0.0003210100000000 ] - [ -0.0006186900000000, 0.0000059700000000, 0.0000497300000000 ] - [ 0.0000000000000000, 0.0043095800000000, 0.0000532600000000 ] - [ 0.0000000000000000, 0.0000138600000000, 0.0000464600000000 ] - [ 0.0000000000000000, 0.0023906200000000, 0.0000434100000000 ] - [ 0.0000000000000000, 0.0000190200000000, 0.0000486000000000 ] - [ 0.0000000000000000, -0.0194521800000000, -0.0000656200000000 ] - [ 0.0000000000000000, -0.0000483200000000, -0.0000477800000000 ] - [ 0.0000000000000000, -0.0000023400000000, -0.0000427600000000 ] - [ 0.0000000000000000, 0.0000185300000000, -0.0000481300000000 ] - [ -0.0041399600000000, -0.0013738500000000, -0.0027377600000000 ] - [ -0.0006140100000000, -0.0000081000000000, 0.0000439200000000 ] - [ -0.0006297500000000, 0.0004872600000000, 0.0003240800000000 ] - [ -0.0007134700000000, 0.0000048400000000, -0.0000491300000000 ] - [ 0.0005111900000000, 0.0039610800000000, 0.0003790500000000 ] - [ 0.0006640200000000, -0.0000100400000000, -0.0000103100000000 ] - [ 0.0008219500000000, 0.0002613100000000, -0.0000470000000000 ] - [ 0.0006362800000000, 0.0000115600000000, 0.0000184700000000 ] - [ 0.0009704700000000, 0.0037747300000000, -0.0004777100000000 ] - [ 0.0006682000000000, -0.0000104900000000, 0.0000121100000000 ] - [ 0.0005122600000000, 0.0002484300000000, 0.0000535000000000 ] - [ 0.0006938700000000, 0.0000114800000000, -0.0000189900000000 ] - [ -0.0006640200000000, -0.0000100400000000, -0.0000103100000000 ] - [ -0.0005111900000000, 0.0039610800000000, 0.0003790500000000 ] - [ -0.0006362800000000, 0.0000115600000000, 0.0000184700000000 ] - [ -0.0008219500000000, 0.0002613100000000, -0.0000470000000000 ] - [ -0.0000133100000000, -0.0013349800000000, 0.0000515000000000 ] - [ 0.0000133100000000, -0.0013349800000000, 0.0000515000000000 ] - [ 0.0000010900000000, -0.0000019800000000, 0.0000480100000000 ] - [ -0.0000010900000000, -0.0000019800000000, 0.0000480100000000 ] - [ 0.0000058300000000, 0.0004860000000000, -0.0000479200000000 ] - [ -0.0000058300000000, 0.0004860000000000, -0.0000479200000000 ] - [ -0.0000022800000000, 0.0010481700000000, -0.0000454300000000 ] - [ 0.0000022800000000, 0.0010481700000000, -0.0000454300000000 ] - [ 0.0000000000000000, -0.0445115900000000, 0.0004785600000000 ] - [ 0.0000000000000000, -0.0000119800000000, 0.0001888900000000 ] - [ 0.0000000000000000, -0.0000435600000000, 0.0001820400000000 ] - [ 0.0000000000000000, 0.0000174000000000, 0.0001883100000000 ] - [ 0.0000000000000000, 0.0037914300000000, -0.0001417800000000 ] - [ 0.0000000000000000, -0.0000034300000000, -0.0001874100000000 ] - [ 0.0000000000000000, 0.0075744400000000, -0.0002427000000000 ] - [ 0.0000000000000000, -0.0000020100000000, -0.0001900700000000 ] - [ -0.0000004800000000, 0.0007674400000000, 0.0001894300000000 ] - [ 0.0000004800000000, 0.0007674400000000, 0.0001894300000000 ] - [ -0.0000016500000000, 0.0007678200000000, 0.0001887500000000 ] - [ 0.0000016500000000, 0.0007678200000000, 0.0001887500000000 ] - [ -0.0000110900000000, -0.0018290900000000, -0.0001870700000000 ] - [ 0.0000110900000000, -0.0018290900000000, -0.0001870700000000 ] - [ 0.0000001500000000, -0.0000404100000000, -0.0001892500000000 ] - [ -0.0000001500000000, -0.0000404100000000, -0.0001892500000000 ] - [ 0.0000032500000000, 0.0000679400000000, 0.0000011900000000 ] - [ -0.0002311600000000, 0.0317030600000000, -0.0000116500000000 ] - [ -0.0000013300000000, -0.0000697800000000, -0.0000006500000000 ] - [ -0.0000009200000000, 0.0004397800000000, -0.0000041300000000 ] - [ -0.0000006700000000, -0.0000240000000000, 0.0000018100000000 ] - [ 0.0000518700000000, -0.0055030500000000, -0.0000277400000000 ] - [ 0.0000005700000000, 0.0000356700000000, -0.0000019900000000 ] - [ 0.0000197100000000, -0.0099439700000000, 0.0000175900000000 ] - [ -0.0000518700000000, -0.0055030500000000, -0.0000277400000000 ] - [ 0.0000006700000000, -0.0000240000000000, 0.0000018100000000 ] - [ -0.0000197100000000, -0.0099439700000000, 0.0000175900000000 ] - [ -0.0000005700000000, 0.0000356700000000, -0.0000019900000000 ] - [ 0.0002311600000000, 0.0317030600000000, -0.0000116500000000 ] - [ -0.0000032500000000, 0.0000679400000000, 0.0000011900000000 ] - [ 0.0000009200000000, 0.0004397800000000, -0.0000041300000000 ] - [ 0.0000013300000000, -0.0000697800000000, -0.0000006500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003532100000000, -0.0003482200000000, 0.0007042000000000 ] - [ -0.0024669200000000, -0.0025352700000000, 0.0086689000000000 ] - [ -0.0009674900000000, 0.0003699800000000, -0.0007366300000000 ] - [ 0.0007399100000000, 0.0024176100000000, -0.0052909000000000 ] - [ 0.0001779800000000, 0.0003241400000000, 0.0009795000000000 ] - [ 0.0061851300000000, 0.0058123800000000, 0.0041465400000000 ] - [ 0.0010982400000000, -0.0003103800000000, -0.0009247700000000 ] - [ -0.0006768100000000, -0.0023773700000000, -0.0045412100000000 ] - [ 0.0001779800000000, -0.0003241400000000, 0.0009795000000000 ] - [ 0.0061851300000000, -0.0058123800000000, 0.0041465400000000 ] - [ 0.0010982400000000, 0.0003103800000000, -0.0009247700000000 ] - [ -0.0006768100000000, 0.0023773700000000, -0.0045412100000000 ] - [ -0.0061851300000000, 0.0058123800000000, 0.0041465400000000 ] - [ -0.0001779800000000, 0.0003241400000000, 0.0009795000000000 ] - [ 0.0006768100000000, -0.0023773700000000, -0.0045412100000000 ] - [ -0.0010982400000000, -0.0003103800000000, -0.0009247700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0163434700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002095100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037113600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005540900000000 ] - [ -0.0061851300000000, -0.0058123800000000, 0.0041465400000000 ] - [ -0.0001779800000000, -0.0003241400000000, 0.0009795000000000 ] - [ 0.0006768100000000, 0.0023773700000000, -0.0045412100000000 ] - [ -0.0010982400000000, 0.0003103800000000, -0.0009247700000000 ] - [ 0.0024669200000000, 0.0025352700000000, 0.0086689000000000 ] - [ 0.0003532100000000, 0.0003482200000000, 0.0007042000000000 ] - [ -0.0007399100000000, -0.0024176100000000, -0.0052909000000000 ] - [ 0.0009674900000000, -0.0003699800000000, -0.0007366300000000 ] - [ 0.0024669200000000, -0.0025352700000000, 0.0086689000000000 ] - [ 0.0003532100000000, -0.0003482200000000, 0.0007042000000000 ] - [ -0.0007399100000000, 0.0024176100000000, -0.0052909000000000 ] - [ 0.0009674900000000, 0.0003699800000000, -0.0007366300000000 ] - [ -0.0003532100000000, 0.0003482200000000, 0.0007042000000000 ] - [ -0.0024669200000000, 0.0025352700000000, 0.0086689000000000 ] - [ -0.0009674900000000, -0.0003699800000000, -0.0007366300000000 ] - [ 0.0007399100000000, -0.0024176100000000, -0.0052909000000000 ] - [ 0.0011114300000000, 0.0000000000000000, 0.0031634300000000 ] - [ -0.0011114300000000, 0.0000000000000000, 0.0031634300000000 ] - [ -0.0001432300000000, 0.0000000000000000, -0.0016697600000000 ] - [ 0.0001432300000000, 0.0000000000000000, -0.0016697600000000 ] - [ -0.0045568500000000, 0.0000000000000000, -0.0014676300000000 ] - [ 0.0045568500000000, 0.0000000000000000, -0.0014676300000000 ] - [ 0.0045596900000000, 0.0000000000000000, -0.0000592600000000 ] - [ -0.0045596900000000, 0.0000000000000000, -0.0000592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0777328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002158400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001536900000000 ] - [ 0.0020062800000000, 0.0000000000000000, 0.0011127400000000 ] - [ -0.0020062800000000, 0.0000000000000000, 0.0011127400000000 ] - [ -0.0023128100000000, 0.0000000000000000, 0.0011250500000000 ] - [ 0.0023128100000000, 0.0000000000000000, 0.0011250500000000 ] - [ -0.0000299600000000, 0.0000000000000000, -0.0045188100000000 ] - [ 0.0000299600000000, 0.0000000000000000, -0.0045188100000000 ] - [ -0.0000990500000000, 0.0000000000000000, 0.0020413500000000 ] - [ 0.0000990500000000, 0.0000000000000000, 0.0020413500000000 ] - [ -0.0002501600000000, 0.0000000000000000, -0.0020417400000000 ] - [ 0.0006150500000000, 0.0000000000000000, -0.0264145300000000 ] - [ -0.0000282500000000, 0.0000000000000000, 0.0018901000000000 ] - [ -0.0005819600000000, 0.0000000000000000, 0.0090253500000000 ] - [ 0.0022171400000000, 0.0000000000000000, -0.0001869300000000 ] - [ -0.0203722000000000, 0.0000000000000000, 0.0168582600000000 ] - [ -0.0022861100000000, 0.0000000000000000, 0.0002991500000000 ] - [ 0.0194006900000000, 0.0000000000000000, 0.0176157400000000 ] - [ 0.0203722000000000, 0.0000000000000000, 0.0168582600000000 ] - [ -0.0022171400000000, 0.0000000000000000, -0.0001869300000000 ] - [ -0.0194006900000000, 0.0000000000000000, 0.0176157400000000 ] - [ 0.0022861100000000, 0.0000000000000000, 0.0002991500000000 ] - [ -0.0006150500000000, 0.0000000000000000, -0.0264145300000000 ] - [ 0.0002501600000000, 0.0000000000000000, -0.0020417400000000 ] - [ 0.0005819600000000, 0.0000000000000000, 0.0090253500000000 ] - [ 0.0000282500000000, 0.0000000000000000, 0.0018901000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009751100000000, 0.0003493400000000, -0.0007037300000000 ] - [ 0.0009435300000000, 0.0024015900000000, -0.0088560600000000 ] - [ -0.0003644900000000, -0.0003693300000000, 0.0007355900000000 ] - [ -0.0020571400000000, -0.0024103100000000, 0.0052750000000000 ] - [ 0.0011514500000000, -0.0003212000000000, -0.0009715100000000 ] - [ -0.0048338800000000, -0.0057714100000000, -0.0040638700000000 ] - [ 0.0002316200000000, 0.0003096200000000, 0.0009178600000000 ] - [ 0.0020179400000000, 0.0023771100000000, 0.0045213300000000 ] - [ 0.0011514500000000, 0.0003212000000000, -0.0009715100000000 ] - [ -0.0048338800000000, 0.0057714100000000, -0.0040638700000000 ] - [ 0.0002316200000000, -0.0003096200000000, 0.0009178600000000 ] - [ 0.0020179400000000, -0.0023771100000000, 0.0045213300000000 ] - [ 0.0048338800000000, -0.0057714100000000, -0.0040638700000000 ] - [ -0.0011514500000000, -0.0003212000000000, -0.0009715100000000 ] - [ -0.0020179400000000, 0.0023771100000000, 0.0045213300000000 ] - [ -0.0002316200000000, 0.0003096200000000, 0.0009178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0148449900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006223300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004558400000000 ] - [ 0.0048338800000000, 0.0057714100000000, -0.0040638700000000 ] - [ -0.0011514500000000, 0.0003212000000000, -0.0009715100000000 ] - [ -0.0020179400000000, -0.0023771100000000, 0.0045213300000000 ] - [ -0.0002316200000000, -0.0003096200000000, 0.0009178600000000 ] - [ -0.0009435300000000, -0.0024015900000000, -0.0088560600000000 ] - [ 0.0009751100000000, -0.0003493400000000, -0.0007037300000000 ] - [ 0.0020571400000000, 0.0024103100000000, 0.0052750000000000 ] - [ 0.0003644900000000, 0.0003693300000000, 0.0007355900000000 ] - [ -0.0009435300000000, 0.0024015900000000, -0.0088560600000000 ] - [ 0.0009751100000000, 0.0003493400000000, -0.0007037300000000 ] - [ 0.0020571400000000, -0.0024103100000000, 0.0052750000000000 ] - [ 0.0003644900000000, -0.0003693300000000, 0.0007355900000000 ] - [ -0.0009751100000000, -0.0003493400000000, -0.0007037300000000 ] - [ 0.0009435300000000, -0.0024015900000000, -0.0088560600000000 ] - [ -0.0003644900000000, 0.0003693300000000, 0.0007355900000000 ] - [ -0.0020571400000000, 0.0024103100000000, 0.0052750000000000 ] - [ -0.0010844100000000, 0.0000000000000000, -0.0030579900000000 ] - [ 0.0010844100000000, 0.0000000000000000, -0.0030579900000000 ] - [ 0.0001328700000000, 0.0000000000000000, 0.0017598400000000 ] - [ -0.0001328700000000, 0.0000000000000000, 0.0017598400000000 ] - [ 0.0045239000000000, 0.0000000000000000, 0.0013734800000000 ] - [ -0.0045239000000000, 0.0000000000000000, 0.0013734800000000 ] - [ -0.0045600800000000, 0.0000000000000000, -0.0000448300000000 ] - [ 0.0045600800000000, 0.0000000000000000, -0.0000448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0770536500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008781500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004829800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226400000000 ] - [ -0.0019996200000000, 0.0000000000000000, -0.0007408100000000 ] - [ 0.0019996200000000, 0.0000000000000000, -0.0007408100000000 ] - [ 0.0023006000000000, 0.0000000000000000, -0.0007284500000000 ] - [ -0.0023006000000000, 0.0000000000000000, -0.0007284500000000 ] - [ -0.0000003200000000, 0.0000000000000000, 0.0041276000000000 ] - [ 0.0000003200000000, 0.0000000000000000, 0.0041276000000000 ] - [ 0.0001063200000000, 0.0000000000000000, -0.0024113000000000 ] - [ -0.0001063200000000, 0.0000000000000000, -0.0024113000000000 ] - [ 0.0002410900000000, 0.0000000000000000, 0.0020330100000000 ] - [ -0.0004574900000000, 0.0000000000000000, 0.0263309200000000 ] - [ 0.0000320800000000, 0.0000000000000000, -0.0018833500000000 ] - [ 0.0005649700000000, 0.0000000000000000, -0.0090002800000000 ] - [ -0.0022047700000000, 0.0000000000000000, 0.0001802100000000 ] - [ 0.0201137600000000, 0.0000000000000000, -0.0167085100000000 ] - [ 0.0022813100000000, 0.0000000000000000, -0.0002930000000000 ] - [ -0.0196304600000000, 0.0000000000000000, -0.0176846900000000 ] - [ -0.0201137600000000, 0.0000000000000000, -0.0167085100000000 ] - [ 0.0022047700000000, 0.0000000000000000, 0.0001802100000000 ] - [ 0.0196304600000000, 0.0000000000000000, -0.0176846900000000 ] - [ -0.0022813100000000, 0.0000000000000000, -0.0002930000000000 ] - [ 0.0004574900000000, 0.0000000000000000, 0.0263309200000000 ] - [ -0.0002410900000000, 0.0000000000000000, 0.0020330100000000 ] - [ -0.0005649700000000, 0.0000000000000000, -0.0090002800000000 ] - [ -0.0000320800000000, 0.0000000000000000, -0.0018833500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0222007700000000, 0.0054707800000000, -0.0033748400000000 ] - [ -0.0055139400000000, -0.0000583100000000, -0.0002187100000000 ] - [ 0.0049887000000000, -0.0021155400000000, 0.0028644900000000 ] - [ -0.0039732200000000, 0.0000461700000000, 0.0001581500000000 ] - [ 0.0236796100000000, -0.0058026200000000, -0.0037107000000000 ] - [ -0.0041843000000000, 0.0000581900000000, -0.0002213400000000 ] - [ 0.0063048100000000, 0.0021087000000000, 0.0028415200000000 ] - [ -0.0026419400000000, -0.0000457900000000, 0.0001601100000000 ] - [ 0.0236796100000000, 0.0058026200000000, -0.0037107000000000 ] - [ -0.0041843000000000, -0.0000581900000000, -0.0002213400000000 ] - [ 0.0063048100000000, -0.0021087000000000, 0.0028415200000000 ] - [ -0.0026419400000000, 0.0000457900000000, 0.0001601100000000 ] - [ -0.0072194600000000, 0.0060573100000000, 0.0092448200000000 ] - [ -0.0080045600000000, -0.0061101900000000, -0.0070160200000000 ] - [ -0.0010446700000000, -0.0003330200000000, -0.0027792900000000 ] - [ -0.0020852700000000, 0.0012508500000000, 0.0029728000000000 ] - [ -0.0085042800000000, 0.0000000000000000, 0.0018437800000000 ] - [ 0.0113249900000000, 0.0000000000000000, -0.0048077400000000 ] - [ -0.0074803200000000, 0.0000000000000000, -0.0013212100000000 ] - [ 0.0050452000000000, 0.0000000000000000, 0.0028464200000000 ] - [ -0.0180505000000000, 0.0000000000000000, 0.0016590900000000 ] - [ 0.0531520100000000, 0.0000000000000000, 0.0131895900000000 ] - [ -0.0050454200000000, 0.0000000000000000, -0.0005448700000000 ] - [ 0.0049898600000000, 0.0000000000000000, 0.0020857500000000 ] - [ -0.0072194600000000, -0.0060573100000000, 0.0092448200000000 ] - [ -0.0080045600000000, 0.0061101900000000, -0.0070160200000000 ] - [ -0.0010446700000000, 0.0003330200000000, -0.0027792900000000 ] - [ -0.0020852700000000, -0.0012508500000000, 0.0029728000000000 ] - [ -0.0066581000000000, -0.0061010100000000, -0.0070004600000000 ] - [ -0.0059098500000000, 0.0060795100000000, 0.0092789800000000 ] - [ -0.0007613400000000, 0.0012484000000000, 0.0029648400000000 ] - [ 0.0002946600000000, -0.0003311000000000, -0.0027834500000000 ] - [ -0.0066581000000000, 0.0061010100000000, -0.0070004600000000 ] - [ -0.0059098500000000, -0.0060795100000000, 0.0092789800000000 ] - [ -0.0007613400000000, -0.0012484000000000, 0.0029648400000000 ] - [ 0.0002946600000000, 0.0003311000000000, -0.0027834500000000 ] - [ 0.0222007700000000, -0.0054707800000000, -0.0033748400000000 ] - [ -0.0055139400000000, 0.0000583100000000, -0.0002187100000000 ] - [ 0.0049887000000000, 0.0021155400000000, 0.0028644900000000 ] - [ -0.0039732200000000, -0.0000461700000000, 0.0001581500000000 ] - [ 0.0474838700000000, 0.0000000000000000, 0.0119168900000000 ] - [ -0.0180469500000000, 0.0000000000000000, 0.0017652300000000 ] - [ 0.0049722700000000, 0.0000000000000000, 0.0021755000000000 ] - [ -0.0050391100000000, 0.0000000000000000, -0.0004494900000000 ] - [ 0.0049962600000000, 0.0000000000000000, 0.0027563600000000 ] - [ -0.0074725500000000, 0.0000000000000000, -0.0014215700000000 ] - [ 0.0112446100000000, 0.0000000000000000, -0.0049107000000000 ] - [ -0.0085020100000000, 0.0000000000000000, 0.0017528500000000 ] - [ 0.0068657300000000, 0.0000000000000000, -0.0000579300000000 ] - [ 0.0020847200000000, 0.0000000000000000, 0.0007141500000000 ] - [ 0.0033754900000000, 0.0000000000000000, 0.0001576300000000 ] - [ -0.0035014600000000, 0.0000000000000000, -0.0003848000000000 ] - [ 0.0050300500000000, 0.0000000000000000, -0.0023950300000000 ] - [ -0.0038750000000000, 0.0000000000000000, 0.0201042100000000 ] - [ 0.0052599600000000, 0.0000000000000000, 0.0020921300000000 ] - [ 0.0020288600000000, 0.0000000000000000, -0.0197727000000000 ] - [ 0.0020543900000000, 0.0000000000000000, -0.0192571300000000 ] - [ 0.0052609400000000, 0.0000000000000000, 0.0024748300000000 ] - [ -0.0038359700000000, 0.0000000000000000, 0.0203789200000000 ] - [ 0.0050312600000000, 0.0000000000000000, -0.0020262600000000 ] - [ 0.0021402900000000, 0.0000000000000000, 0.0003579600000000 ] - [ 0.0068722500000000, 0.0000000000000000, -0.0004331000000000 ] - [ -0.0034867500000000, 0.0000000000000000, -0.0007618000000000 ] - [ 0.0033724500000000, 0.0000000000000000, -0.0002183700000000 ] - [ -0.2442744700000000, 0.0000000000000000, 0.0101525000000000 ] - [ 0.0184193200000000, 0.0000000000000000, 0.0013090600000000 ] - [ -0.0097853700000000, 0.0000000000000000, -0.0032605600000000 ] - [ 0.0082251100000000, 0.0000000000000000, 0.0000744800000000 ] - [ -0.0201555300000000, 0.0000000000000000, -0.0116783500000000 ] - [ 0.0117564400000000, 0.0000000000000000, -0.0004439400000000 ] - [ -0.0201283100000000, 0.0000000000000000, -0.0115120900000000 ] - [ 0.0117581900000000, 0.0000000000000000, -0.0004513900000000 ] - [ 0.0051248700000000, 0.0000000000000000, -0.0120093800000000 ] - [ 0.0003895700000000, 0.0000000000000000, 0.0109214200000000 ] - [ 0.0004223600000000, 0.0000000000000000, 0.0108974600000000 ] - [ 0.0050904800000000, 0.0000000000000000, -0.0120536300000000 ] - [ 0.0559088300000000, 0.0000000000000000, -0.0091837600000000 ] - [ 0.0562006000000000, 0.0000000000000000, -0.0092131200000000 ] - [ 0.0011887400000000, 0.0000000000000000, 0.0000906000000000 ] - [ 0.0011702700000000, 0.0000000000000000, 0.0000903200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0067737400000000, 0.0227952600000000, -0.0148760600000000 ] - [ -0.0006748000000000, -0.0000101700000000, 0.0000073600000000 ] - [ -0.0009383400000000, -0.0025513000000000, -0.0022612600000000 ] - [ -0.0006816000000000, -0.0000162300000000, 0.0000196300000000 ] - [ -0.0067737400000000, 0.0227952600000000, 0.0148760600000000 ] - [ 0.0006748000000000, -0.0000101700000000, -0.0000073600000000 ] - [ 0.0009383400000000, -0.0025513000000000, 0.0022612600000000 ] - [ 0.0006816000000000, -0.0000162300000000, -0.0000196300000000 ] - [ 0.0076574000000000, 0.0210809700000000, -0.0129748600000000 ] - [ 0.0006560100000000, -0.0000097000000000, 0.0000070000000000 ] - [ 0.0003939600000000, -0.0025451300000000, -0.0022668000000000 ] - [ 0.0006487000000000, -0.0000156800000000, 0.0000187000000000 ] - [ 0.0003351700000000, -0.0001432300000000, 0.0001533200000000 ] - [ -0.0003571700000000, 0.0001727000000000, 0.0001357700000000 ] - [ -0.0009213000000000, -0.0000251400000000, -0.0002715600000000 ] - [ -0.0003722900000000, -0.0001494300000000, -0.0001647300000000 ] - [ 0.0000000500000000, -0.0001435800000000, 0.0000487400000000 ] - [ -0.0000092100000000, -0.0058878500000000, 0.0000295100000000 ] - [ 0.0000003600000000, -0.0000486700000000, 0.0000468500000000 ] - [ 0.0000016500000000, -0.0047645500000000, 0.0000533100000000 ] - [ 0.0000002500000000, 0.0000470000000000, -0.0000457100000000 ] - [ -0.0002944400000000, 0.0138793600000000, -0.0001178600000000 ] - [ 0.0000007100000000, -0.0000672600000000, -0.0000477000000000 ] - [ 0.0000000300000000, 0.0001809500000000, -0.0000453900000000 ] - [ -0.0016625400000000, -0.0001735700000000, -0.0001377600000000 ] - [ -0.0009652100000000, 0.0001589200000000, -0.0001260900000000 ] - [ -0.0004084700000000, -0.0000271900000000, 0.0002695700000000 ] - [ -0.0009606700000000, -0.0001483300000000, 0.0001655400000000 ] - [ 0.0009652100000000, 0.0001589200000000, 0.0001260900000000 ] - [ 0.0016625400000000, -0.0001735700000000, 0.0001377600000000 ] - [ 0.0009606700000000, -0.0001483300000000, -0.0001655400000000 ] - [ 0.0004084700000000, -0.0000271900000000, -0.0002695700000000 ] - [ 0.0003571700000000, 0.0001727000000000, -0.0001357700000000 ] - [ -0.0003351700000000, -0.0001432300000000, -0.0001533200000000 ] - [ 0.0003722900000000, -0.0001494300000000, 0.0001647300000000 ] - [ 0.0009213000000000, -0.0000251400000000, 0.0002715600000000 ] - [ -0.0076574000000000, 0.0210809700000000, 0.0129748600000000 ] - [ -0.0006560100000000, -0.0000097000000000, -0.0000070000000000 ] - [ -0.0003939600000000, -0.0025451300000000, 0.0022668000000000 ] - [ -0.0006487000000000, -0.0000156800000000, -0.0000187000000000 ] - [ 0.0002944400000000, 0.0138793600000000, 0.0001178600000000 ] - [ -0.0000002500000000, 0.0000470000000000, 0.0000457100000000 ] - [ -0.0000000300000000, 0.0001809500000000, 0.0000453900000000 ] - [ -0.0000007100000000, -0.0000672600000000, 0.0000477000000000 ] - [ -0.0000016500000000, -0.0047645500000000, -0.0000533100000000 ] - [ -0.0000003600000000, -0.0000486700000000, -0.0000468500000000 ] - [ 0.0000092100000000, -0.0058878500000000, -0.0000295100000000 ] - [ -0.0000000500000000, -0.0001435800000000, -0.0000487400000000 ] - [ 0.0000000900000000, 0.0000683200000000, 0.0001877200000000 ] - [ 0.0002004100000000, 0.0317005300000000, 0.0001921700000000 ] - [ -0.0000002100000000, -0.0000695800000000, 0.0001887900000000 ] - [ -0.0000000600000000, 0.0004385700000000, 0.0001877700000000 ] - [ -0.0000011000000000, -0.0000241400000000, -0.0001880700000000 ] - [ 0.0000006300000000, -0.0055022100000000, -0.0002149000000000 ] - [ 0.0000007700000000, 0.0000361000000000, -0.0001875000000000 ] - [ -0.0000008500000000, -0.0099427800000000, -0.0001681600000000 ] - [ 0.0000008500000000, -0.0099427800000000, 0.0001681600000000 ] - [ -0.0000007700000000, 0.0000361000000000, 0.0001875000000000 ] - [ -0.0000006300000000, -0.0055022100000000, 0.0002149000000000 ] - [ 0.0000011000000000, -0.0000241400000000, 0.0001880700000000 ] - [ -0.0002004100000000, 0.0317005300000000, -0.0001921700000000 ] - [ -0.0000000900000000, 0.0000683200000000, -0.0001877200000000 ] - [ 0.0000000600000000, 0.0004385700000000, -0.0001877700000000 ] - [ 0.0000002100000000, -0.0000695800000000, -0.0001887900000000 ] - [ 0.0000000000000000, -0.2187635500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002122300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0046389200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000428600000000, 0.0000000000000000 ] - [ 0.0000068400000000, 0.0531465500000000, 0.0000807400000000 ] - [ -0.0000006300000000, 0.0000145500000000, -0.0000008600000000 ] - [ -0.0000068400000000, 0.0531465500000000, -0.0000807400000000 ] - [ 0.0000006300000000, 0.0000145500000000, 0.0000008600000000 ] - [ -0.0000053700000000, 0.0007647200000000, -0.0000015500000000 ] - [ 0.0000104900000000, -0.0002587600000000, -0.0000041600000000 ] - [ -0.0000104900000000, -0.0002587600000000, 0.0000041600000000 ] - [ 0.0000053700000000, 0.0007647200000000, 0.0000015500000000 ] - [ 0.0000694700000000, -0.0008716500000000, -0.0000215200000000 ] - [ -0.0000694700000000, -0.0008716500000000, 0.0000215200000000 ] - [ -0.0000014300000000, 0.0004853300000000, 0.0000022800000000 ] - [ 0.0000014300000000, 0.0004853300000000, -0.0000022800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0077491800000000, -0.0231507700000000, 0.0375733900000000 ] - [ -0.0009970800000000, -0.0003782600000000, 0.0008248900000000 ] - [ -0.0025252200000000, 0.0076307100000000, -0.0191863000000000 ] - [ -0.0006813400000000, 0.0004085100000000, -0.0008575000000000 ] - [ -0.0069184300000000, 0.0251639400000000, 0.0393233300000000 ] - [ 0.0003335700000000, 0.0003802300000000, 0.0008284300000000 ] - [ -0.0011876900000000, -0.0076473000000000, -0.0191756600000000 ] - [ 0.0006497200000000, -0.0004092100000000, -0.0008606300000000 ] - [ -0.0069184300000000, -0.0251639400000000, 0.0393233300000000 ] - [ 0.0003335700000000, -0.0003802300000000, 0.0008284300000000 ] - [ -0.0011876900000000, 0.0076473000000000, -0.0191756600000000 ] - [ 0.0006497200000000, 0.0004092100000000, -0.0008606300000000 ] - [ 0.0022657800000000, 0.0021876700000000, 0.0057223800000000 ] - [ -0.0029465600000000, 0.0003621400000000, 0.0022533300000000 ] - [ -0.0028638400000000, -0.0011259300000000, -0.0044295100000000 ] - [ 0.0011007800000000, -0.0014371000000000, -0.0031409900000000 ] - [ 0.0024722000000000, 0.0000000000000000, 0.0006816800000000 ] - [ -0.0163935300000000, 0.0000000000000000, -0.0019671000000000 ] - [ -0.0031056400000000, 0.0000000000000000, -0.0008238500000000 ] - [ 0.0142311300000000, 0.0000000000000000, -0.0080247900000000 ] - [ -0.0019902900000000, 0.0000000000000000, 0.0017145400000000 ] - [ 0.0053363600000000, 0.0000000000000000, 0.0222943600000000 ] - [ -0.0001387100000000, 0.0000000000000000, -0.0014685200000000 ] - [ 0.0002691800000000, 0.0000000000000000, -0.0075013800000000 ] - [ 0.0022657800000000, -0.0021876700000000, 0.0057223800000000 ] - [ -0.0029465600000000, -0.0003621400000000, 0.0022533300000000 ] - [ -0.0028638400000000, 0.0011259300000000, -0.0044295100000000 ] - [ 0.0011007800000000, 0.0014371000000000, -0.0031409900000000 ] - [ -0.0016240300000000, 0.0003517600000000, 0.0022298000000000 ] - [ 0.0036075700000000, 0.0021730300000000, 0.0056854700000000 ] - [ 0.0024381600000000, -0.0014323700000000, -0.0031309200000000 ] - [ -0.0015461600000000, -0.0011196200000000, -0.0044274500000000 ] - [ -0.0016240300000000, -0.0003517600000000, 0.0022298000000000 ] - [ 0.0036075700000000, -0.0021730300000000, 0.0056854700000000 ] - [ 0.0024381600000000, 0.0014323700000000, -0.0031309200000000 ] - [ -0.0015461600000000, 0.0011196200000000, -0.0044274500000000 ] - [ -0.0077491800000000, 0.0231507700000000, 0.0375733900000000 ] - [ -0.0009970800000000, 0.0003782600000000, 0.0008248900000000 ] - [ -0.0025252200000000, -0.0076307100000000, -0.0191863000000000 ] - [ -0.0006813400000000, -0.0004085100000000, -0.0008575000000000 ] - [ 0.0056510000000000, 0.0000000000000000, 0.0225568500000000 ] - [ -0.0019786500000000, 0.0000000000000000, 0.0018059100000000 ] - [ 0.0002831400000000, 0.0000000000000000, -0.0074151000000000 ] - [ -0.0001462500000000, 0.0000000000000000, -0.0013712700000000 ] - [ 0.0142512400000000, 0.0000000000000000, -0.0081172300000000 ] - [ -0.0031105900000000, 0.0000000000000000, -0.0009142600000000 ] - [ -0.0163650200000000, 0.0000000000000000, -0.0020714100000000 ] - [ 0.0024738400000000, 0.0000000000000000, 0.0005793800000000 ] - [ 0.0001474300000000, 0.0000000000000000, -0.0018492500000000 ] - [ -0.0036374800000000, 0.0000000000000000, -0.0261854100000000 ] - [ 0.0000790800000000, 0.0000000000000000, 0.0020755900000000 ] - [ 0.0004812700000000, 0.0000000000000000, 0.0092029700000000 ] - [ -0.0010064900000000, 0.0000000000000000, -0.0003745900000000 ] - [ 0.0176840400000000, 0.0000000000000000, 0.0166716100000000 ] - [ 0.0012250500000000, 0.0000000000000000, 0.0001122000000000 ] - [ -0.0212185800000000, 0.0000000000000000, 0.0173861500000000 ] - [ -0.0214327100000000, 0.0000000000000000, 0.0179122700000000 ] - [ 0.0012251700000000, 0.0000000000000000, 0.0004802800000000 ] - [ 0.0175021300000000, 0.0000000000000000, 0.0168918200000000 ] - [ -0.0010068300000000, 0.0000000000000000, 0.0000081600000000 ] - [ -0.0035689700000000, 0.0000000000000000, -0.0265596900000000 ] - [ 0.0001437500000000, 0.0000000000000000, -0.0022255400000000 ] - [ 0.0004675100000000, 0.0000000000000000, 0.0088242900000000 ] - [ 0.0000838800000000, 0.0000000000000000, 0.0017002000000000 ] - [ 0.0102046100000000, 0.0000000000000000, -0.2590747900000000 ] - [ 0.0013099700000000, 0.0000000000000000, -0.0015842900000000 ] - [ -0.0032646400000000, 0.0000000000000000, 0.0306324700000000 ] - [ 0.0000732300000000, 0.0000000000000000, 0.0019764200000000 ] - [ 0.0116088900000000, 0.0000000000000000, 0.0547050000000000 ] - [ 0.0004486200000000, 0.0000000000000000, -0.0000063800000000 ] - [ 0.0115815600000000, 0.0000000000000000, 0.0546026600000000 ] - [ 0.0004474100000000, 0.0000000000000000, 0.0000024600000000 ] - [ -0.0120389000000000, 0.0000000000000000, -0.0011906000000000 ] - [ 0.0109199400000000, 0.0000000000000000, 0.0025095100000000 ] - [ 0.0108967800000000, 0.0000000000000000, 0.0025453000000000 ] - [ -0.0120220400000000, 0.0000000000000000, -0.0011548500000000 ] - [ 0.0092545200000000, 0.0000000000000000, -0.0117902000000000 ] - [ 0.0091351800000000, 0.0000000000000000, -0.0117768500000000 ] - [ -0.0001011500000000, 0.0000000000000000, 0.0085531300000000 ] - [ -0.0000737000000000, 0.0000000000000000, 0.0085580000000000 ]