# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/44fd5d2b-3a54-435a-9342-e652e41604ba/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 Sr2ZnGe2O7 / P-42_1m (113) / materials id 17392](https://mdr.nims.go.jp/datasets/45371a72-b75e-4f22-b689-cf7d45749ecb)

## 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: "P-42_1m"  number: 113  Hall_symbol: "P -4 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     8.140962119999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.140962119999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.319584020000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.417673660000000,  0.677907460000000,  0.790457300000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.582326340000000,  0.322092540000000,  0.790457300000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.322092540000000,  0.417673660000000,  0.209542700000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.677907460000000,  0.582326340000000,  0.209542700000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.177907460000000,  0.917673660000000,  0.790457300000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.917673660000000,  0.822092540000000,  0.209542700000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.082326340000000,  0.177907460000000,  0.209542700000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.822092540000000,  0.082326340000000,  0.790457300000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.361837820000000,  0.861837820000000,  0.278160070000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.861837820000000,  0.638162180000000,  0.721839930000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.183236930000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.816763070000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.638162180000000,  0.138162180000000,  0.278160070000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.138162180000000,  0.361837820000000,  0.721839930000000 ]    mass: 15.999400  - symbol: Zn # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 65.380000  - symbol: Zn # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 65.380000  - symbol: Ge # 17    coordinates: [  0.356585910000000,  0.856585910000000,  0.953351230000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.643414090000000,  0.143414090000000,  0.953351230000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.856585910000000,  0.643414090000000,  0.046648770000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.143414090000000,  0.356585910000000,  0.046648770000000 ]    mass: 72.640000  - symbol: Sr # 21    coordinates: [  0.164953570000000,  0.664953570000000,  0.507076420000000 ]    mass: 87.620000  - symbol: Sr # 22    coordinates: [  0.664953570000000,  0.835046430000000,  0.492923580000000 ]    mass: 87.620000  - symbol: Sr # 23    coordinates: [  0.335046430000000,  0.164953570000000,  0.492923580000000 ]    mass: 87.620000  - symbol: Sr # 24    coordinates: [  0.835046430000000,  0.335046430000000,  0.507076420000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.122835604104248,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.122835604104248,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.187984623654840 ] # c*unit_cell:  lattice:  - [     8.140962119999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.140962119999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.319584020000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.417673660000000,  0.677907460000000,  0.790457300000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.582326340000000,  0.322092540000000,  0.790457300000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.322092540000000,  0.417673660000000,  0.209542700000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.677907460000000,  0.582326340000000,  0.209542700000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.177907460000000,  0.917673660000000,  0.790457300000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.917673660000000,  0.822092540000000,  0.209542700000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.082326340000000,  0.177907460000000,  0.209542700000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.822092540000000,  0.082326340000000,  0.790457300000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.361837820000000,  0.861837820000000,  0.278160070000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.861837820000000,  0.638162180000000,  0.721839930000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.183236930000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.816763070000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.638162180000000,  0.138162180000000,  0.278160070000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.138162180000000,  0.361837820000000,  0.721839930000000 ]    mass: 15.999400    reduced_to: 14  - symbol: Zn # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 65.380000    reduced_to: 15  - symbol: Zn # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 65.380000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.356585910000000,  0.856585910000000,  0.953351230000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.643414090000000,  0.143414090000000,  0.953351230000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.856585910000000,  0.643414090000000,  0.046648770000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.143414090000000,  0.356585910000000,  0.046648770000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Sr # 21    coordinates: [  0.164953570000000,  0.664953570000000,  0.507076420000000 ]    mass: 87.620000    reduced_to: 21  - symbol: Sr # 22    coordinates: [  0.664953570000000,  0.835046430000000,  0.492923580000000 ]    mass: 87.620000    reduced_to: 22  - symbol: Sr # 23    coordinates: [  0.335046430000000,  0.164953570000000,  0.492923580000000 ]    mass: 87.620000    reduced_to: 23  - symbol: Sr # 24    coordinates: [  0.835046430000000,  0.335046430000000,  0.507076420000000 ]    mass: 87.620000    reduced_to: 24supercell:  lattice:  - [     8.140962119999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.140962119999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.639168039999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.417673660000000,  0.677907460000000,  0.395228650000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.417673660000000,  0.677907460000000,  0.895228650000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.582326340000000,  0.322092540000000,  0.395228650000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.582326340000000,  0.322092540000000,  0.895228650000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 5    coordinates: [  0.322092540000000,  0.417673660000000,  0.104771350000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.322092540000000,  0.417673660000000,  0.604771350000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.677907460000000,  0.582326340000000,  0.104771350000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.677907460000000,  0.582326340000000,  0.604771350000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.177907460000000,  0.917673660000000,  0.395228650000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.177907460000000,  0.917673660000000,  0.895228650000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.917673660000000,  0.822092540000000,  0.104771350000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.917673660000000,  0.822092540000000,  0.604771350000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.082326340000000,  0.177907460000000,  0.104771350000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.082326340000000,  0.177907460000000,  0.604771350000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.822092540000000,  0.082326340000000,  0.395228650000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.822092540000000,  0.082326340000000,  0.895228650000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.361837820000000,  0.861837820000000,  0.139080035000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.361837820000000,  0.861837820000000,  0.639080035000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.861837820000000,  0.638162180000000,  0.360919965000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.861837820000000,  0.638162180000000,  0.860919965000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.500000000000000,  0.091618465000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.591618465000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.408381535000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.000000000000000,  0.908381535000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.638162180000000,  0.138162180000000,  0.139080035000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.638162180000000,  0.138162180000000,  0.639080035000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.138162180000000,  0.361837820000000,  0.360919965000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.138162180000000,  0.361837820000000,  0.860919965000000 ]    mass: 15.999400    reduced_to: 27  - symbol: Zn # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 30    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 65.380000    reduced_to: 29  - symbol: Zn # 31    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 65.380000    reduced_to: 31  - symbol: Zn # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 65.380000    reduced_to: 31  - symbol: Ge # 33    coordinates: [  0.356585910000000,  0.856585910000000,  0.476675615000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.356585910000000,  0.856585910000000,  0.976675615000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 35    coordinates: [  0.643414090000000,  0.143414090000000,  0.476675615000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.643414090000000,  0.143414090000000,  0.976675615000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 37    coordinates: [  0.856585910000000,  0.643414090000000,  0.023324385000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.856585910000000,  0.643414090000000,  0.523324385000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 39    coordinates: [  0.143414090000000,  0.356585910000000,  0.023324385000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.143414090000000,  0.356585910000000,  0.523324385000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Sr # 41    coordinates: [  0.164953570000000,  0.664953570000000,  0.253538210000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 42    coordinates: [  0.164953570000000,  0.664953570000000,  0.753538210000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 43    coordinates: [  0.664953570000000,  0.835046430000000,  0.246461790000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 44    coordinates: [  0.664953570000000,  0.835046430000000,  0.746461790000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 45    coordinates: [  0.335046430000000,  0.164953570000000,  0.246461790000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 46    coordinates: [  0.335046430000000,  0.164953570000000,  0.746461790000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 47    coordinates: [  0.835046430000000,  0.335046430000000,  0.253538210000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 48    coordinates: [  0.835046430000000,  0.335046430000000,  0.753538210000000 ]    mass: 87.620000    reduced_to: 47born_effective_charge:- # 1 (O)  - [ -1.695234530000000,  0.213687880000000, -0.100606240000000 ]  - [  0.289339310000000, -2.199288590000000, -0.090991480000000 ]  - [ -0.113433300000000,  0.037942810000000, -1.599430100000000 ]- # 2 (O)  - [ -1.695234530000000,  0.213687880000000,  0.100606240000000 ]  - [  0.289339310000000, -2.199288590000000,  0.090991480000000 ]  - [  0.113433300000000, -0.037942810000000, -1.599430100000000 ]- # 3 (O)  - [ -2.199288590000000, -0.289339310000000, -0.090991480000000 ]  - [ -0.213687880000000, -1.695234530000000,  0.100606240000000 ]  - [  0.037942810000000,  0.113433300000000, -1.599430100000000 ]- # 4 (O)  - [ -2.199288590000000, -0.289339310000000,  0.090991480000000 ]  - [ -0.213687880000000, -1.695234530000000, -0.100606240000000 ]  - [ -0.037942810000000, -0.113433300000000, -1.599430100000000 ]- # 5 (O)  - [ -2.199288590000000,  0.289339310000000, -0.090991480000000 ]  - [  0.213687880000000, -1.695234530000000, -0.100606240000000 ]  - [  0.037942810000000, -0.113433300000000, -1.599430100000000 ]- # 6 (O)  - [ -1.695234530000000, -0.213687880000000,  0.100606240000000 ]  - [ -0.289339310000000, -2.199288590000000, -0.090991480000000 ]  - [  0.113433300000000,  0.037942810000000, -1.599430100000000 ]- # 7 (O)  - [ -1.695234530000000, -0.213687880000000, -0.100606240000000 ]  - [ -0.289339310000000, -2.199288590000000,  0.090991480000000 ]  - [ -0.113433300000000, -0.037942810000000, -1.599430100000000 ]- # 8 (O)  - [ -2.199288590000000,  0.289339310000000,  0.090991480000000 ]  - [  0.213687880000000, -1.695234530000000,  0.100606240000000 ]  - [ -0.037942810000000,  0.113433300000000, -1.599430100000000 ]- # 9 (O)  - [ -1.543964060000000, -0.098767970000000,  0.021708980000000 ]  - [ -0.098767970000000, -1.543964060000000,  0.021708980000000 ]  - [ -0.016518380000000, -0.016518380000000, -2.185085190000000 ]- # 10 (O)  - [ -1.543964060000000,  0.098767970000000, -0.021708980000000 ]  - [  0.098767970000000, -1.543964060000000,  0.021708980000000 ]  - [  0.016518380000000, -0.016518380000000, -2.185085190000000 ]- # 11 (O)  - [ -2.186183490000000,  0.801705310000000,  0.000000000000000 ]  - [  0.801705310000000, -2.186183490000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.655349370000000 ]- # 12 (O)  - [ -2.186183490000000, -0.801705310000000,  0.000000000000000 ]  - [ -0.801705310000000, -2.186183490000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.655349370000000 ]- # 13 (O)  - [ -1.543964060000000, -0.098767970000000, -0.021708980000000 ]  - [ -0.098767970000000, -1.543964060000000, -0.021708980000000 ]  - [  0.016518380000000,  0.016518380000000, -2.185085190000000 ]- # 14 (O)  - [ -1.543964060000000,  0.098767970000000,  0.021708980000000 ]  - [  0.098767970000000, -1.543964060000000, -0.021708980000000 ]  - [ -0.016518380000000,  0.016518380000000, -2.185085190000000 ]- # 15 (Zn)  - [  2.309582040000000, -0.040814260000000,  0.000000000000000 ]  - [  0.040814260000000,  2.309582040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.452456070000000 ]- # 16 (Zn)  - [  2.309582040000000,  0.040814260000000,  0.000000000000000 ]  - [ -0.040814260000000,  2.309582040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.452456070000000 ]- # 17 (Ge)  - [  2.959126990000000,  0.038105770000000, -0.022184460000000 ]  - [  0.038105770000000,  2.959126990000000, -0.022184460000000 ]  - [  0.012230840000000,  0.012230840000000,  2.799866430000000 ]- # 18 (Ge)  - [  2.959126990000000,  0.038105770000000,  0.022184460000000 ]  - [  0.038105770000000,  2.959126990000000,  0.022184460000000 ]  - [ -0.012230840000000, -0.012230840000000,  2.799866430000000 ]- # 19 (Ge)  - [  2.959126990000000, -0.038105770000000,  0.022184460000000 ]  - [ -0.038105770000000,  2.959126990000000, -0.022184460000000 ]  - [ -0.012230840000000,  0.012230840000000,  2.799866430000000 ]- # 20 (Ge)  - [  2.959126990000000, -0.038105770000000, -0.022184460000000 ]  - [ -0.038105770000000,  2.959126990000000,  0.022184460000000 ]  - [  0.012230840000000, -0.012230840000000,  2.799866430000000 ]- # 21 (Sr)  - [  2.417660920000000,  0.298358800000000,  0.149618700000000 ]  - [  0.298358800000000,  2.417660920000000,  0.149618700000000 ]  - [  0.020392380000000,  0.020392380000000,  2.685525620000000 ]- # 22 (Sr)  - [  2.417660920000000, -0.298358800000000, -0.149618700000000 ]  - [ -0.298358800000000,  2.417660920000000,  0.149618700000000 ]  - [ -0.020392380000000,  0.020392380000000,  2.685525620000000 ]- # 23 (Sr)  - [  2.417660920000000, -0.298358800000000,  0.149618700000000 ]  - [ -0.298358800000000,  2.417660920000000, -0.149618700000000 ]  - [  0.020392380000000, -0.020392380000000,  2.685525620000000 ]- # 24 (Sr)  - [  2.417660920000000,  0.298358800000000, -0.149618700000000 ]  - [  0.298358800000000,  2.417660920000000, -0.149618700000000 ]  - [ -0.020392380000000, -0.020392380000000,  2.685525620000000 ]dielectric_constant:  - [  3.325625710000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.325625710000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.295068010000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0683498400000000,  0.0729241300000000, -0.0025867300000000 ]  - [  -0.0006030900000000,  0.0002364500000000,  0.0001143000000000 ]  - [   0.0020696000000000, -0.0048664400000000,  0.0001616300000000 ]  - [  -0.0001745700000000, -0.0001257800000000, -0.0000600900000000 ]  - [  -0.0008279300000000,  0.0003993100000000,  0.0007078800000000 ]  - [  -0.0015152300000000,  0.0006621500000000, -0.0008232900000000 ]  - [   0.0008869000000000, -0.0004042700000000, -0.0015956400000000 ]  - [   0.0085427600000000, -0.0006601000000000,  0.0069245200000000 ]  - [   0.0108868100000000, -0.0177573200000000, -0.0019936800000000 ]  - [   0.0000963900000000, -0.0000695500000000, -0.0001040000000000 ]  - [   0.0027532200000000, -0.0006875700000000,  0.0001122400000000 ]  - [   0.0027274100000000,  0.0017318500000000, -0.0003577100000000 ]  - [   0.0003217500000000,  0.0000525700000000,  0.0003299400000000 ]  - [   0.0007140500000000, -0.0012201700000000, -0.0014608700000000 ]  - [   0.0033471200000000, -0.0003860200000000,  0.0001590400000000 ]  - [   0.0002615800000000,  0.0000343600000000,  0.0001268100000000 ]  - [  -0.0023389700000000, -0.0005564200000000,  0.0013871600000000 ]  - [  -0.0048085700000000, -0.0013362400000000, -0.0023727000000000 ]  - [   0.0065601900000000, -0.0003700900000000, -0.0010823600000000 ]  - [   0.0007561800000000, -0.0000169700000000,  0.0002642000000000 ]  - [   0.0018718200000000,  0.0010564500000000,  0.0017466000000000 ]  - [   0.0029683400000000, -0.0009465900000000, -0.0004490200000000 ]  - [  -0.0046082800000000,  0.0084274400000000,  0.0012513900000000 ]  - [  -0.0006477800000000, -0.0003213600000000,  0.0000731600000000 ]  - [  -0.0004177300000000,  0.0005721600000000, -0.0006241000000000 ]  - [   0.0000276100000000, -0.0006180300000000,  0.0013201300000000 ]  - [   0.0012840100000000,  0.0021861500000000, -0.0008554800000000 ]  - [   0.0000662700000000,  0.0000313000000000,  0.0000046300000000 ]  - [  -0.0004918300000000, -0.0001280300000000, -0.0002663300000000 ]  - [  -0.0055536700000000,  0.0008337200000000,  0.0035745800000000 ]  - [   0.0009873700000000,  0.0001231600000000,  0.0002061600000000 ]  - [   0.0105187200000000, -0.0160533700000000,  0.0117367700000000 ]  - [   0.0404751100000000, -0.0386601300000000, -0.0225639800000000 ]  - [   0.0002185600000000, -0.0001551200000000, -0.0006973000000000 ]  - [  -0.0031943000000000,  0.0011310700000000, -0.0021807000000000 ]  - [   0.0004009000000000,  0.0004946900000000,  0.0006948700000000 ]  - [  -0.0023348900000000,  0.0005316000000000, -0.0003952500000000 ]  - [  -0.0094813600000000, -0.0012271900000000, -0.0002541200000000 ]  - [   0.0003608000000000, -0.0006428900000000, -0.0006028200000000 ]  - [  -0.0008292400000000, -0.0004179000000000,  0.0031238100000000 ]  - [   0.0093637000000000, -0.0024154500000000,  0.0025360300000000 ]  - [  -0.0006716800000000, -0.0002507800000000,  0.0011184700000000 ]  - [  -0.0023124100000000, -0.0027434000000000,  0.0054461900000000 ]  - [   0.0007244500000000, -0.0015501900000000, -0.0016435100000000 ]  - [   0.0032350100000000,  0.0010759400000000, -0.0005607700000000 ]  - [   0.0006988600000000,  0.0005794600000000,  0.0002332900000000 ]  - [  -0.0026221200000000,  0.0005346600000000,  0.0008977100000000 ]  - [  -0.0013420000000000,  0.0009687700000000, -0.0007210800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0683521800000000, -0.0730113700000000,  0.0028486600000000 ]  - [   0.0002972300000000, -0.0002343600000000, -0.0001880900000000 ]  - [  -0.0017742700000000,  0.0048206700000000, -0.0002276800000000 ]  - [   0.0004749000000000,  0.0001215100000000, -0.0000093900000000 ]  - [   0.0008343500000000, -0.0007078500000000, -0.0006473500000000 ]  - [   0.0015750600000000, -0.0009364800000000,  0.0008646900000000 ]  - [  -0.0008907000000000,  0.0007025000000000,  0.0016504700000000 ]  - [  -0.0085347700000000,  0.0009382800000000, -0.0067971000000000 ]  - [  -0.0110041300000000,  0.0177054600000000,  0.0019325500000000 ]  - [  -0.0000881200000000, -0.0002343600000000,  0.0000244200000000 ]  - [  -0.0030618700000000,  0.0006887600000000, -0.0000610000000000 ]  - [  -0.0030232100000000, -0.0017147800000000,  0.0004276600000000 ]  - [  -0.0000161200000000, -0.0000536600000000, -0.0002638600000000 ]  - [  -0.0004038300000000,  0.0012168700000000,  0.0015274900000000 ]  - [  -0.0033540200000000,  0.0006909900000000, -0.0002086400000000 ]  - [  -0.0002715600000000,  0.0002722500000000, -0.0001979500000000 ]  - [   0.0025156900000000,  0.0007234200000000, -0.0009091400000000 ]  - [   0.0050083000000000,  0.0014644000000000,  0.0027815700000000 ]  - [  -0.0063682700000000,  0.0001917200000000,  0.0006229000000000 ]  - [  -0.0005914300000000, -0.0001495300000000, -0.0007424300000000 ]  - [  -0.0018855300000000, -0.0010782300000000, -0.0018442100000000 ]  - [  -0.0029596800000000,  0.0009309600000000,  0.0003887200000000 ]  - [   0.0045162000000000, -0.0085125400000000, -0.0011980400000000 ]  - [   0.0006434400000000,  0.0003216400000000, -0.0000067900000000 ]  - [   0.0002450700000000, -0.0007311400000000,  0.0010871600000000 ]  - [  -0.0002079100000000,  0.0004482200000000, -0.0008607500000000 ]  - [  -0.0014442200000000, -0.0020426400000000,  0.0004017200000000 ]  - [  -0.0002277900000000,  0.0001336200000000, -0.0004865600000000 ]  - [   0.0004836000000000,  0.0001238200000000,  0.0002760900000000 ]  - [   0.0055531000000000, -0.0008422800000000, -0.0035860000000000 ]  - [  -0.0009845700000000, -0.0001247100000000, -0.0001980200000000 ]  - [  -0.0107164300000000,  0.0157431900000000, -0.0115299700000000 ]  - [  -0.0403474500000000,  0.0386344400000000,  0.0226246800000000 ]  - [  -0.0005180800000000, -0.0001492300000000,  0.0006734800000000 ]  - [   0.0035507600000000, -0.0008173100000000,  0.0021620300000000 ]  - [  -0.0000933600000000, -0.0001894200000000, -0.0007208200000000 ]  - [   0.0020417400000000, -0.0002261500000000,  0.0004536800000000 ]  - [   0.0091666100000000,  0.0015434800000000,  0.0002329900000000 ]  - [  -0.0000706800000000,  0.0003556300000000,  0.0006531000000000 ]  - [   0.0010908800000000,  0.0001345100000000, -0.0031295900000000 ]  - [  -0.0098171000000000,  0.0024998100000000, -0.0028112600000000 ]  - [   0.0007459600000000,  0.0003358200000000, -0.0009327500000000 ]  - [   0.0025315300000000,  0.0026895600000000, -0.0056970500000000 ]  - [  -0.0006064000000000,  0.0014442700000000,  0.0014661000000000 ]  - [  -0.0033458600000000, -0.0009742200000000,  0.0003699900000000 ]  - [  -0.0008033000000000, -0.0004691000000000, -0.0003974400000000 ]  - [   0.0025328400000000, -0.0006186700000000, -0.0007221300000000 ]  - [   0.0012512500000000, -0.0010578000000000,  0.0009038600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0735814800000000, -0.2345079700000000, -0.0426066600000000 ]  - [   0.0000818400000000, -0.0009181600000000, -0.0000634400000000 ]  - [  -0.0046602400000000,  0.0164152600000000, -0.0012515600000000 ]  - [   0.0000297600000000,  0.0005146700000000, -0.0002527700000000 ]  - [   0.0004021600000000,  0.0007392500000000,  0.0011193500000000 ]  - [   0.0059804100000000,  0.0083775600000000, -0.0082372500000000 ]  - [  -0.0004044200000000, -0.0006750100000000,  0.0005428500000000 ]  - [  -0.0060191300000000, -0.0013913500000000, -0.0044688800000000 ]  - [  -0.0180040400000000,  0.0108672400000000,  0.0013990300000000 ]  - [  -0.0004938100000000, -0.0000599100000000,  0.0000503200000000 ]  - [   0.0005382100000000, -0.0008913100000000, -0.0003950000000000 ]  - [  -0.0018789600000000, -0.0023553200000000,  0.0006447500000000 ]  - [   0.0000971300000000,  0.0008954000000000, -0.0002200500000000 ]  - [   0.0013723300000000,  0.0039817500000000,  0.0005945200000000 ]  - [  -0.0003805800000000,  0.0034996200000000,  0.0000104900000000 ]  - [   0.0001058700000000,  0.0004194600000000, -0.0001151200000000 ]  - [  -0.0004056000000000, -0.0004798400000000, -0.0025579800000000 ]  - [  -0.0014180300000000,  0.0008669600000000,  0.0093787100000000 ]  - [  -0.0007635100000000, -0.0018978100000000,  0.0003717700000000 ]  - [  -0.0001035700000000, -0.0005145300000000, -0.0003692200000000 ]  - [   0.0000977000000000, -0.0001513900000000,  0.0000991900000000 ]  - [   0.0007275100000000, -0.0003350300000000, -0.0004874100000000 ]  - [   0.0133184000000000,  0.0301306300000000,  0.0036741500000000 ]  - [   0.0004011300000000,  0.0005306000000000, -0.0001104700000000 ]  - [   0.0002114600000000,  0.0008231000000000, -0.0000878400000000 ]  - [   0.0008290100000000,  0.0026129500000000,  0.0016265800000000 ]  - [   0.0032290700000000,  0.0041770700000000,  0.0005581000000000 ]  - [   0.0001569200000000,  0.0002887000000000, -0.0004490200000000 ]  - [   0.0003119300000000, -0.0002702700000000, -0.0000576100000000 ]  - [   0.0040371900000000, -0.0018573400000000, -0.0044463500000000 ]  - [   0.0001394500000000,  0.0003204100000000, -0.0007729000000000 ]  - [  -0.0149455100000000,  0.0357608600000000, -0.0257816700000000 ]  - [  -0.0411041600000000,  0.1353728500000000,  0.0704009800000000 ]  - [  -0.0004970700000000,  0.0003068100000000,  0.0006678600000000 ]  - [  -0.0071426900000000, -0.0128541200000000, -0.0027477100000000 ]  - [  -0.0000908900000000, -0.0005734100000000,  0.0002228300000000 ]  - [   0.0000135700000000,  0.0009934200000000,  0.0000271900000000 ]  - [   0.0029930500000000,  0.0043384200000000, -0.0012082200000000 ]  - [  -0.0004963800000000, -0.0008510600000000, -0.0000454000000000 ]  - [  -0.0067084100000000, -0.0058918500000000,  0.0007049800000000 ]  - [  -0.0008519900000000,  0.0069998600000000, -0.0000628000000000 ]  - [   0.0008370900000000,  0.0032449000000000,  0.0006243500000000 ]  - [  -0.0028575800000000,  0.0047995300000000,  0.0026976200000000 ]  - [  -0.0016562000000000,  0.0017009000000000, -0.0004418000000000 ]  - [   0.0005174500000000, -0.0056419900000000,  0.0017550500000000 ]  - [   0.0005869300000000, -0.0040356700000000,  0.0000679300000000 ]  - [   0.0003628400000000, -0.0014450600000000, -0.0008538900000000 ]  - [  -0.0000771000000000, -0.0013797600000000,  0.0008524300000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0724147400000000,  0.2296299200000000,  0.0360787600000000 ]  - [  -0.0003904500000000,  0.0009305000000000, -0.0000059000000000 ]  - [   0.0050305400000000, -0.0164702700000000,  0.0011605700000000 ]  - [   0.0002752000000000, -0.0005157400000000,  0.0001777400000000 ]  - [  -0.0004108200000000, -0.0010383700000000, -0.0010546700000000 ]  - [  -0.0060209500000000, -0.0087029600000000,  0.0083889700000000 ]  - [   0.0004167300000000,  0.0009864900000000, -0.0004777600000000 ]  - [   0.0059817200000000,  0.0016974100000000,  0.0045370300000000 ]  - [   0.0176833000000000, -0.0110242800000000, -0.0014640800000000 ]  - [   0.0005022300000000, -0.0002481600000000, -0.0001140400000000 ]  - [  -0.0008389600000000,  0.0008807800000000,  0.0004630000000000 ]  - [   0.0015683700000000,  0.0023457200000000, -0.0005737500000000 ]  - [   0.0002028400000000, -0.0008961700000000,  0.0002824600000000 ]  - [  -0.0010653900000000, -0.0039810700000000, -0.0005253400000000 ]  - [   0.0004166500000000, -0.0032026700000000, -0.0000762700000000 ]  - [  -0.0001023000000000, -0.0001181700000000,  0.0000445400000000 ]  - [   0.0005686600000000,  0.0006296700000000,  0.0030219500000000 ]  - [   0.0015710400000000, -0.0007248300000000, -0.0088265600000000 ]  - [   0.0009240300000000,  0.0017329800000000, -0.0008408400000000 ]  - [   0.0002716300000000,  0.0003482100000000, -0.0000992400000000 ]  - [  -0.0000993100000000,  0.0001721600000000, -0.0001661700000000 ]  - [  -0.0007391000000000,  0.0003433000000000,  0.0004146300000000 ]  - [  -0.0130647000000000, -0.0295306500000000, -0.0035570700000000 ]  - [  -0.0004104000000000, -0.0005406400000000,  0.0001859500000000 ]  - [  -0.0003764700000000, -0.0009963300000000,  0.0005578400000000 ]  - [  -0.0009888000000000, -0.0027741800000000, -0.0011211100000000 ]  - [  -0.0034243700000000, -0.0040189500000000, -0.0010271800000000 ]  - [  -0.0003280900000000, -0.0001206400000000, -0.0000320600000000 ]  - [  -0.0003139200000000,  0.0002763300000000,  0.0000582100000000 ]  - [  -0.0040394800000000,  0.0018621400000000,  0.0044185300000000 ]  - [  -0.0001406600000000, -0.0003257300000000,  0.0007769900000000 ]  - [   0.0160779500000000, -0.0374885700000000,  0.0275512800000000 ]  - [   0.0381893700000000, -0.1296798300000000, -0.0659129000000000 ]  - [   0.0001994200000000, -0.0006090200000000, -0.0007028500000000 ]  - [   0.0073867400000000,  0.0131082300000000,  0.0026626600000000 ]  - [   0.0003942800000000,  0.0008787500000000, -0.0002420500000000 ]  - [  -0.0003203600000000, -0.0006949900000000,  0.0000023000000000 ]  - [  -0.0032498100000000, -0.0040261000000000,  0.0012267800000000 ]  - [   0.0008090700000000,  0.0005410400000000,  0.0000762700000000 ]  - [   0.0070139300000000,  0.0055787100000000, -0.0007034200000000 ]  - [   0.0010255800000000, -0.0069086200000000,  0.0002919400000000 ]  - [  -0.0007438100000000, -0.0031498800000000, -0.0004331900000000 ]  - [   0.0029870600000000, -0.0048469300000000, -0.0029000100000000 ]  - [   0.0017599100000000, -0.0017863800000000,  0.0002649200000000 ]  - [  -0.0005981400000000,  0.0057378900000000, -0.0019078400000000 ]  - [  -0.0006852700000000,  0.0041387400000000, -0.0002549900000000 ]  - [  -0.0004718700000000,  0.0013318000000000,  0.0010465400000000 ]  - [  -0.0000180900000000,  0.0012693500000000, -0.0006705500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0026475700000000, -0.0397541100000000, -0.1150043900000000 ]  - [  -0.0000072200000000, -0.0000033200000000,  0.0026464400000000 ]  - [  -0.0000565400000000,  0.0012136400000000, -0.0014317200000000 ]  - [   0.0001900900000000,  0.0001796700000000,  0.0013245200000000 ]  - [   0.0004791500000000,  0.0014572400000000,  0.0021126200000000 ]  - [  -0.0045183600000000, -0.0070368700000000,  0.0032247400000000 ]  - [  -0.0010520500000000,  0.0008383000000000,  0.0021079300000000 ]  - [   0.0083506500000000, -0.0006995400000000,  0.0032210000000000 ]  - [   0.0014944600000000, -0.0021595000000000, -0.0078878000000000 ]  - [   0.0000888900000000, -0.0002160800000000,  0.0032342500000000 ]  - [  -0.0002432800000000, -0.0004465700000000,  0.0022707400000000 ]  - [   0.0002317600000000,  0.0005783600000000, -0.0008294600000000 ]  - [   0.0004489900000000,  0.0002611600000000,  0.0003267800000000 ]  - [  -0.0013375900000000, -0.0005359000000000, -0.0008889400000000 ]  - [  -0.0000761100000000, -0.0000234800000000, -0.0014891500000000 ]  - [   0.0000599300000000, -0.0000051500000000,  0.0010388500000000 ]  - [   0.0010178600000000, -0.0034546600000000,  0.0073999900000000 ]  - [  -0.0029508500000000,  0.0104337500000000,  0.0114488400000000 ]  - [   0.0001228500000000,  0.0004828800000000, -0.0040173200000000 ]  - [  -0.0000411600000000, -0.0001495000000000,  0.0023000900000000 ]  - [   0.0005173100000000,  0.0015762300000000,  0.0018943600000000 ]  - [  -0.0000348800000000, -0.0002450000000000, -0.0011541500000000 ]  - [   0.0009626200000000,  0.0007968300000000, -0.0065120600000000 ]  - [  -0.0003159300000000, -0.0003821000000000,  0.0026821300000000 ]  - [  -0.0001976500000000, -0.0008882500000000,  0.0010045300000000 ]  - [   0.0008305300000000,  0.0003985800000000, -0.0006119900000000 ]  - [   0.0004127200000000,  0.0016918800000000, -0.0034121100000000 ]  - [  -0.0003037300000000,  0.0002221000000000,  0.0021008900000000 ]  - [   0.0001011900000000,  0.0006355200000000, -0.0012868500000000 ]  - [   0.0006671900000000, -0.0000780000000000,  0.0016087400000000 ]  - [   0.0000486200000000, -0.0004173600000000, -0.0022982000000000 ]  - [   0.0143201100000000, -0.0311200300000000,  0.0290668800000000 ]  - [  -0.0233786200000000,  0.0677097900000000,  0.0684206900000000 ]  - [   0.0000143400000000, -0.0003362300000000, -0.0064749300000000 ]  - [  -0.0011697700000000, -0.0005455700000000,  0.0017614700000000 ]  - [   0.0002514800000000,  0.0002128000000000, -0.0017111700000000 ]  - [   0.0001478900000000, -0.0000789400000000, -0.0031155800000000 ]  - [  -0.0033187400000000, -0.0011818700000000,  0.0061484700000000 ]  - [  -0.0005010800000000, -0.0013286600000000, -0.0026334900000000 ]  - [   0.0039906800000000,  0.0011845100000000,  0.0054267500000000 ]  - [   0.0023661100000000, -0.0005784900000000,  0.0067508100000000 ]  - [   0.0024066100000000,  0.0013618800000000, -0.0036850700000000 ]  - [   0.0052458700000000,  0.0031999000000000,  0.0002259900000000 ]  - [  -0.0023264000000000, -0.0006378200000000, -0.0032533500000000 ]  - [  -0.0002749900000000, -0.0000742500000000,  0.0016910000000000 ]  - [   0.0000370000000000, -0.0016255400000000, -0.0031652000000000 ]  - [   0.0001973200000000, -0.0010629200000000,  0.0012166800000000 ]  - [  -0.0002497000000000,  0.0006306900000000, -0.0017932700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0027845400000000,  0.0388711000000000,  0.1143148100000000 ]  - [  -0.0003029900000000,  0.0000258900000000, -0.0027502800000000 ]  - [   0.0003358800000000, -0.0011984500000000,  0.0013856800000000 ]  - [   0.0001298400000000, -0.0002200900000000, -0.0014190500000000 ]  - [  -0.0005130400000000, -0.0017817200000000, -0.0020183600000000 ]  - [   0.0044898900000000,  0.0066836200000000, -0.0031389900000000 ]  - [   0.0010956000000000, -0.0005254300000000, -0.0020202000000000 ]  - [  -0.0082822300000000,  0.0009878900000000, -0.0031387800000000 ]  - [  -0.0014029700000000,  0.0017768500000000,  0.0077826500000000 ]  - [  -0.0000924300000000, -0.0000843800000000, -0.0033223900000000 ]  - [  -0.0000649900000000,  0.0004350900000000, -0.0022022400000000 ]  - [  -0.0005449200000000, -0.0006083800000000,  0.0009073000000000 ]  - [  -0.0001478200000000, -0.0002542500000000, -0.0002391700000000 ]  - [   0.0016438100000000,  0.0005564100000000,  0.0009712200000000 ]  - [   0.0000362800000000,  0.0003384600000000,  0.0014016800000000 ]  - [  -0.0000793500000000,  0.0003143400000000, -0.0011137200000000 ]  - [  -0.0008584100000000,  0.0036670500000000, -0.0070030300000000 ]  - [   0.0030730400000000, -0.0100807600000000, -0.0108104500000000 ]  - [   0.0000404800000000, -0.0006526200000000,  0.0035973200000000 ]  - [   0.0002111000000000, -0.0000235500000000, -0.0027479900000000 ]  - [  -0.0005207700000000, -0.0015818300000000, -0.0020030000000000 ]  - [   0.0000326900000000,  0.0002457200000000,  0.0010387900000000 ]  - [  -0.0009893900000000, -0.0008928100000000,  0.0065837900000000 ]  - [   0.0003294100000000,  0.0003924500000000, -0.0025803900000000 ]  - [   0.0000253000000000,  0.0007213000000000, -0.0005585900000000 ]  - [  -0.0010008400000000, -0.0005668100000000,  0.0010324100000000 ]  - [  -0.0005810000000000, -0.0015179300000000,  0.0029724200000000 ]  - [   0.0001294800000000, -0.0000512600000000, -0.0025539100000000 ]  - [  -0.0000988400000000, -0.0006391700000000,  0.0012864300000000 ]  - [  -0.0006864100000000,  0.0000831900000000, -0.0015771500000000 ]  - [  -0.0000507900000000,  0.0004223500000000,  0.0023053200000000 ]  - [  -0.0137791300000000,  0.0299536200000000, -0.0286840300000000 ]  - [   0.0223838800000000, -0.0659880500000000, -0.0681044700000000 ]  - [  -0.0003172300000000,  0.0000402500000000,  0.0064713800000000 ]  - [   0.0015124900000000,  0.0008477300000000, -0.0017188000000000 ]  - [   0.0000432400000000,  0.0000833600000000,  0.0017023800000000 ]  - [  -0.0004496300000000,  0.0003820500000000,  0.0031327900000000 ]  - [   0.0030309400000000,  0.0014793700000000, -0.0061375200000000 ]  - [   0.0008047200000000,  0.0010363600000000,  0.0026503600000000 ]  - [  -0.0037014500000000, -0.0014893800000000, -0.0054008300000000 ]  - [  -0.0026075300000000,  0.0006467000000000, -0.0067802800000000 ]  - [  -0.0022990900000000, -0.0012556000000000,  0.0038591500000000 ]  - [  -0.0050911300000000, -0.0032592600000000, -0.0004833800000000 ]  - [   0.0024020800000000,  0.0005481300000000,  0.0030884700000000 ]  - [   0.0001803700000000,  0.0001764700000000, -0.0018971400000000 ]  - [  -0.0001286900000000,  0.0017003900000000,  0.0030054600000000 ]  - [  -0.0002842700000000,  0.0009793100000000, -0.0010644200000000 ]  - [   0.0001603200000000, -0.0007237100000000,  0.0019787900000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0025822300000000, -0.0004841200000000,  0.0009020900000000 ]  - [  -0.0050743400000000, -0.0014758300000000, -0.0030269500000000 ]  - [  -0.0001796800000000,  0.0002868400000000,  0.0000705600000000 ]  - [   0.0002680500000000,  0.0008985300000000, -0.0009586500000000 ]  - [  -0.0018151800000000,  0.0001295000000000,  0.0006068900000000 ]  - [  -0.0004325500000000, -0.0002194500000000, -0.0000139600000000 ]  - [   0.0041052400000000, -0.0019809200000000, -0.0015735200000000 ]  - [   0.0002107500000000,  0.0002065900000000, -0.0000916700000000 ]  - [  -0.0005544800000000, -0.0007867300000000, -0.0035952000000000 ]  - [   0.0008193000000000, -0.0015452400000000,  0.0101940500000000 ]  - [   0.0063010900000000,  0.0008362100000000, -0.0000139000000000 ]  - [   0.0005226900000000,  0.0001852300000000,  0.0001664300000000 ]  - [   0.0015217200000000, -0.0033167800000000,  0.0005335300000000 ]  - [   0.0002987200000000, -0.0002471900000000, -0.0001734900000000 ]  - [   0.0009098300000000,  0.0008081900000000,  0.0007733300000000 ]  - [   0.0026805900000000, -0.0003796900000000, -0.0005251400000000 ]  - [  -0.0409754800000000, -0.0059780400000000, -0.0015714900000000 ]  - [  -0.0009891700000000,  0.0001581700000000,  0.0003514600000000 ]  - [   0.0028808300000000, -0.0014490500000000,  0.0005206400000000 ]  - [   0.0013978800000000,  0.0003956500000000, -0.0002582300000000 ]  - [   0.0022768700000000,  0.0000147200000000,  0.0006613300000000 ]  - [   0.0004987600000000, -0.0002018200000000,  0.0001067300000000 ]  - [  -0.0012541400000000,  0.0005575000000000,  0.0019110700000000 ]  - [  -0.0003060200000000,  0.0040736000000000, -0.0092179400000000 ]  - [   0.0040480700000000,  0.0054870500000000, -0.0006161900000000 ]  - [   0.0000066400000000,  0.0000663100000000,  0.0002546100000000 ]  - [   0.0000197000000000,  0.0014301600000000, -0.0012130600000000 ]  - [  -0.0003713300000000, -0.0003965600000000,  0.0003816700000000 ]  - [  -0.0058288000000000,  0.0022337100000000, -0.0007513000000000 ]  - [  -0.0013569400000000,  0.0003456800000000,  0.0001012200000000 ]  - [   0.0016601100000000,  0.0015595400000000,  0.0003267100000000 ]  - [   0.0003092700000000, -0.0000472300000000, -0.0002082000000000 ]  - [   0.0030914800000000, -0.0001061300000000, -0.0002028900000000 ]  - [   0.0271262800000000,  0.0005600500000000,  0.0068184200000000 ]  - [   0.0000165700000000, -0.0005184300000000, -0.0005228500000000 ]  - [  -0.0042502900000000, -0.0032183600000000,  0.0035535200000000 ]  - [  -0.0058276400000000, -0.0019748300000000,  0.0003369600000000 ]  - [  -0.0007168100000000,  0.0000150900000000, -0.0006049100000000 ]  - [   0.0014197300000000,  0.0014120500000000, -0.0011245700000000 ]  - [   0.0002001700000000,  0.0001912600000000,  0.0010197800000000 ]  - [   0.0066058000000000,  0.0019553300000000, -0.0008065000000000 ]  - [   0.0006119600000000, -0.0018177900000000, -0.0009795900000000 ]  - [  -0.0010499900000000,  0.0015701800000000, -0.0027704500000000 ]  - [  -0.0009876900000000,  0.0007146000000000,  0.0010412700000000 ]  - [   0.0057163100000000,  0.0001119700000000,  0.0002044300000000 ]  - [   0.0023467200000000,  0.0006315100000000, -0.0000169000000000 ]  - [  -0.0022836800000000, -0.0004582500000000, -0.0003018600000000 ]  - [  -0.0010346900000000, -0.0002327800000000,  0.0003027000000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0022622600000000,  0.0005151500000000, -0.0010006400000000 ]  - [   0.0047297800000000,  0.0015438500000000,  0.0029723300000000 ]  - [   0.0004915500000000, -0.0003322000000000, -0.0001734500000000 ]  - [   0.0000395000000000, -0.0009479500000000,  0.0008488000000000 ]  - [   0.0017807800000000, -0.0004438400000000, -0.0005093900000000 ]  - [   0.0003933100000000, -0.0000985600000000,  0.0001303100000000 ]  - [  -0.0040669600000000,  0.0022558500000000,  0.0016639200000000 ]  - [  -0.0001754300000000,  0.0001115800000000,  0.0002084600000000 ]  - [   0.0005678900000000,  0.0004906100000000,  0.0035117200000000 ]  - [  -0.0007604200000000,  0.0012539300000000, -0.0103252900000000 ]  - [  -0.0066293900000000, -0.0008561900000000,  0.0000801900000000 ]  - [  -0.0008290300000000, -0.0001990800000000, -0.0000696300000000 ]  - [  -0.0012039500000000,  0.0033536600000000, -0.0004591700000000 ]  - [   0.0000083100000000,  0.0002618200000000,  0.0002650300000000 ]  - [  -0.0009307300000000, -0.0004900200000000, -0.0008428700000000 ]  - [  -0.0027169200000000,  0.0006885900000000,  0.0004327000000000 ]  - [   0.0409547800000000,  0.0063656600000000,  0.0004515600000000 ]  - [   0.0011607300000000,  0.0000111000000000,  0.0001316000000000 ]  - [  -0.0027012300000000,  0.0012569200000000, -0.0009563600000000 ]  - [  -0.0012271700000000, -0.0005711000000000, -0.0002257000000000 ]  - [  -0.0022656800000000, -0.0000333100000000, -0.0007713800000000 ]  - [  -0.0004975000000000,  0.0002009700000000, -0.0001985600000000 ]  - [   0.0012475100000000, -0.0005408600000000, -0.0017993900000000 ]  - [   0.0002363800000000, -0.0040783400000000,  0.0093117900000000 ]  - [  -0.0042124500000000, -0.0056068800000000,  0.0010495200000000 ]  - [  -0.0001834400000000, -0.0002392700000000,  0.0002073400000000 ]  - [  -0.0001842200000000, -0.0012758500000000,  0.0007594100000000 ]  - [   0.0002077700000000,  0.0005691800000000, -0.0008362300000000 ]  - [   0.0058203400000000, -0.0022559900000000,  0.0007966600000000 ]  - [   0.0013498300000000, -0.0003452900000000, -0.0001089100000000 ]  - [  -0.0016317300000000, -0.0015780800000000, -0.0002970700000000 ]  - [  -0.0003096900000000,  0.0000496100000000,  0.0002013900000000 ]  - [  -0.0033839600000000, -0.0001984100000000,  0.0001653600000000 ]  - [  -0.0273210400000000, -0.0008506000000000, -0.0057045200000000 ]  - [   0.0002874500000000,  0.0008096500000000,  0.0004981200000000 ]  - [   0.0045886000000000,  0.0035359900000000, -0.0035192400000000 ]  - [   0.0055194900000000,  0.0022992500000000, -0.0002888500000000 ]  - [   0.0004154500000000,  0.0002839200000000,  0.0006021700000000 ]  - [  -0.0011451200000000, -0.0017011100000000,  0.0011487600000000 ]  - [   0.0000953100000000, -0.0004896500000000, -0.0010088200000000 ]  - [  -0.0067092600000000, -0.0021044700000000,  0.0011755100000000 ]  - [  -0.0005453500000000,  0.0018971700000000,  0.0011330400000000 ]  - [   0.0014976300000000, -0.0016908300000000,  0.0027641000000000 ]  - [   0.0010993200000000, -0.0008108900000000, -0.0012305700000000 ]  - [  -0.0058103900000000, -0.0000033000000000, -0.0003503600000000 ]  - [  -0.0024439100000000, -0.0005263500000000, -0.0001744000000000 ]  - [   0.0021888700000000,  0.0003709700000000,  0.0004742800000000 ]  - [   0.0009421200000000,  0.0001430000000000, -0.0001333100000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0009849000000000, -0.0027707300000000,  0.0071651400000000 ]  - [  -0.0027129400000000,  0.0090400600000000,  0.0109685100000000 ]  - [   0.0010268500000000,  0.0002677000000000,  0.0007308900000000 ]  - [  -0.0009160800000000, -0.0014141200000000, -0.0008689100000000 ]  - [   0.0005578300000000,  0.0006891400000000, -0.0037478200000000 ]  - [  -0.0001849000000000, -0.0006740800000000,  0.0025701500000000 ]  - [  -0.0007557500000000, -0.0004492900000000, -0.0031280000000000 ]  - [   0.0002618100000000,  0.0004151800000000,  0.0023784900000000 ]  - [  -0.0027707300000000,  0.0009849000000000,  0.0071651400000000 ]  - [   0.0090400600000000, -0.0027129400000000,  0.0109685100000000 ]  - [   0.0006891400000000,  0.0005578300000000, -0.0037478200000000 ]  - [  -0.0006740800000000, -0.0001849000000000,  0.0025701500000000 ]  - [  -0.0004492900000000, -0.0007557500000000, -0.0031280000000000 ]  - [   0.0004151800000000,  0.0002618100000000,  0.0023784900000000 ]  - [   0.0002677000000000,  0.0010268500000000,  0.0007308900000000 ]  - [  -0.0014141200000000, -0.0009160800000000, -0.0008689100000000 ]  - [  -0.0006838300000000, -0.0006838300000000, -0.2752421300000000 ]  - [   0.0001948000000000,  0.0001948000000000,  0.0059334800000000 ]  - [  -0.0006509700000000, -0.0010615800000000,  0.0019891100000000 ]  - [   0.0001003000000000,  0.0005304400000000, -0.0011406300000000 ]  - [  -0.0005029200000000, -0.0005029200000000, -0.0022412100000000 ]  - [   0.0002387600000000,  0.0002387600000000,  0.0018184700000000 ]  - [   0.0021945300000000,  0.0021945300000000,  0.0047909700000000 ]  - [  -0.0100983900000000, -0.0100983900000000,  0.0110286500000000 ]  - [   0.0007313500000000,  0.0007313500000000, -0.0051563400000000 ]  - [  -0.0000973200000000, -0.0000973200000000,  0.0033767200000000 ]  - [  -0.0010615800000000, -0.0006509700000000,  0.0019891100000000 ]  - [   0.0005304400000000,  0.0001003000000000, -0.0011406300000000 ]  - [  -0.0038754300000000,  0.0014842100000000,  0.0054018300000000 ]  - [   0.0015797800000000, -0.0006834400000000, -0.0025556900000000 ]  - [   0.0014842100000000, -0.0038754300000000,  0.0054018300000000 ]  - [  -0.0006834400000000,  0.0015797800000000, -0.0025556900000000 ]  - [  -0.0009043900000000, -0.0009043900000000, -0.0095427300000000 ]  - [   0.0067136400000000,  0.0067136400000000,  0.2226282200000000 ]  - [  -0.0018208800000000, -0.0018208800000000, -0.0034102600000000 ]  - [   0.0066508700000000,  0.0066508700000000,  0.0078445500000000 ]  - [   0.0004851200000000, -0.0002727800000000,  0.0029895100000000 ]  - [  -0.0002112500000000,  0.0001365100000000, -0.0033364700000000 ]  - [  -0.0002727800000000,  0.0004851200000000,  0.0029895100000000 ]  - [   0.0001365100000000, -0.0002112500000000, -0.0033364700000000 ]  - [  -0.0003529600000000, -0.0003529600000000,  0.0064021900000000 ]  - [  -0.0028597000000000, -0.0028597000000000, -0.0053051600000000 ]  - [  -0.0040893400000000,  0.0008815400000000,  0.0041657200000000 ]  - [   0.0028632900000000, -0.0006202400000000, -0.0049814800000000 ]  - [   0.0008815400000000, -0.0040893400000000,  0.0041657200000000 ]  - [  -0.0006202400000000,  0.0028632900000000, -0.0049814800000000 ]  - [   0.0002542500000000,  0.0002542500000000,  0.0019081500000000 ]  - [   0.0003804400000000,  0.0003804400000000, -0.0020343200000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0013076000000000,  0.0028132300000000, -0.0072311100000000 ]  - [   0.0024499800000000, -0.0091741400000000, -0.0112943500000000 ]  - [  -0.0006989500000000, -0.0003458000000000, -0.0008515000000000 ]  - [   0.0012518700000000,  0.0013484200000000,  0.0007813300000000 ]  - [  -0.0006408900000000, -0.0010024100000000,  0.0038672000000000 ]  - [   0.0000943000000000,  0.0003416700000000, -0.0024729800000000 ]  - [   0.0008180500000000,  0.0007990900000000,  0.0032499600000000 ]  - [  -0.0001735400000000, -0.0000879600000000, -0.0022803500000000 ]  - [   0.0028132300000000, -0.0013076000000000, -0.0072311100000000 ]  - [  -0.0091741400000000,  0.0024499800000000, -0.0112943500000000 ]  - [  -0.0010024100000000, -0.0006408900000000,  0.0038672000000000 ]  - [   0.0003416700000000,  0.0000943000000000, -0.0024729800000000 ]  - [   0.0007990900000000,  0.0008180500000000,  0.0032499600000000 ]  - [  -0.0000879600000000, -0.0001735400000000, -0.0022803500000000 ]  - [  -0.0003458000000000, -0.0006989500000000, -0.0008515000000000 ]  - [   0.0013484200000000,  0.0012518700000000,  0.0007813300000000 ]  - [   0.0013699200000000,  0.0013699200000000,  0.2903594700000000 ]  - [  -0.0000161500000000, -0.0000161500000000, -0.0055289600000000 ]  - [   0.0008319200000000,  0.0008832700000000, -0.0024150000000000 ]  - [   0.0000770300000000, -0.0007141700000000,  0.0007509000000000 ]  - [   0.0005042700000000,  0.0005042700000000,  0.0020839900000000 ]  - [  -0.0002402900000000, -0.0002402900000000, -0.0019859100000000 ]  - [  -0.0021738200000000, -0.0021738200000000, -0.0046121500000000 ]  - [   0.0103130900000000,  0.0103130900000000, -0.0110886900000000 ]  - [  -0.0009493500000000, -0.0009493500000000,  0.0055957600000000 ]  - [  -0.0000777700000000, -0.0000777700000000, -0.0029662000000000 ]  - [   0.0008832700000000,  0.0008319200000000, -0.0024150000000000 ]  - [  -0.0007141700000000,  0.0000770300000000,  0.0007509000000000 ]  - [   0.0038750000000000, -0.0014868700000000, -0.0054657500000000 ]  - [  -0.0015780300000000,  0.0006815200000000,  0.0025616200000000 ]  - [  -0.0014868700000000,  0.0038750000000000, -0.0054657500000000 ]  - [   0.0006815200000000, -0.0015780300000000,  0.0025616200000000 ]  - [   0.0006012900000000,  0.0006012900000000,  0.0095331400000000 ]  - [  -0.0074834500000000, -0.0074834500000000, -0.2369118900000000 ]  - [   0.0021192500000000,  0.0021192500000000,  0.0034269100000000 ]  - [  -0.0063748200000000, -0.0063748200000000, -0.0079515600000000 ]  - [  -0.0007870000000000,  0.0005778900000000, -0.0030214000000000 ]  - [  -0.0000981500000000,  0.0001750800000000,  0.0033603400000000 ]  - [   0.0005778900000000, -0.0007870000000000, -0.0030214000000000 ]  - [   0.0001750800000000, -0.0000981500000000,  0.0033603400000000 ]  - [   0.0002862100000000,  0.0002862100000000, -0.0061302200000000 ]  - [   0.0029749400000000,  0.0029749400000000,  0.0054934000000000 ]  - [   0.0042948800000000, -0.0009791100000000, -0.0042611600000000 ]  - [  -0.0027849000000000,  0.0005277400000000,  0.0048181100000000 ]  - [  -0.0009791100000000,  0.0042948800000000, -0.0042611600000000 ]  - [   0.0005277400000000, -0.0027849000000000,  0.0048181100000000 ]  - [  -0.0003521900000000, -0.0003521900000000, -0.0017172100000000 ]  - [  -0.0004825500000000, -0.0004825500000000,  0.0022084000000000 ]- atom:   21  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0017140500000000,  0.0001329900000000,  0.0004573700000000 ]  - [   0.0028077200000000,  0.0007535500000000, -0.0000851600000000 ]  - [   0.0020437600000000,  0.0000612700000000, -0.0005822200000000 ]  - [   0.0031175000000000,  0.0007162000000000, -0.0000240000000000 ]  - [   0.0301094300000000, -0.0087230300000000,  0.0009202300000000 ]  - [   0.0004975000000000,  0.0001586600000000, -0.0003225300000000 ]  - [   0.0295453600000000, -0.0082213500000000, -0.0007716500000000 ]  - [   0.0005676000000000,  0.0004839100000000,  0.0004532800000000 ]  - [  -0.0001419000000000,  0.0009166800000000,  0.0015366100000000 ]  - [  -0.0003111100000000, -0.0010948000000000, -0.0003067200000000 ]  - [  -0.0046685800000000, -0.0132185300000000, -0.0009151900000000 ]  - [  -0.0008004300000000, -0.0004200800000000,  0.0003721200000000 ]  - [  -0.0044522700000000, -0.0131571400000000,  0.0010383100000000 ]  - [  -0.0004906000000000, -0.0003857900000000, -0.0002768600000000 ]  - [  -0.0001745800000000,  0.0012159800000000, -0.0016204000000000 ]  - [  -0.0003648200000000, -0.0007830000000000,  0.0001822300000000 ]  - [   0.0023567000000000,  0.0001178400000000, -0.0002989500000000 ]  - [   0.0005903300000000, -0.0001150700000000,  0.0004493100000000 ]  - [  -0.0011571100000000, -0.0006413600000000, -0.0023915700000000 ]  - [  -0.0001541700000000, -0.0041537600000000,  0.0099737600000000 ]  - [  -0.1934821900000000,  0.1437699300000000,  0.0014031800000000 ]  - [  -0.0012261700000000,  0.0010964200000000, -0.0000699700000000 ]  - [   0.0013448200000000, -0.0000010700000000,  0.0000734200000000 ]  - [   0.0011663200000000, -0.0000023500000000,  0.0000709000000000 ]  - [   0.0021887400000000, -0.0000761900000000,  0.0007202600000000 ]  - [   0.0004117600000000, -0.0002944000000000, -0.0000253900000000 ]  - [  -0.0013408100000000, -0.0004629000000000,  0.0019722300000000 ]  - [  -0.0003927700000000, -0.0039951600000000, -0.0104376000000000 ]  - [   0.0039742700000000,  0.0046758500000000, -0.0000107800000000 ]  - [   0.0015056500000000,  0.0005507600000000, -0.0000017500000000 ]  - [  -0.0119573800000000, -0.0062240500000000,  0.0000290000000000 ]  - [  -0.0011830500000000,  0.0001590200000000, -0.0000030600000000 ]  - [  -0.0013731400000000, -0.0004292600000000, -0.0006598800000000 ]  - [  -0.0023070900000000, -0.0004246700000000,  0.0007343200000000 ]  - [  -0.0010699500000000, -0.0001275400000000,  0.0006565200000000 ]  - [  -0.0020228900000000, -0.0000985600000000, -0.0007120100000000 ]  - [   0.0652183600000000, -0.0476131600000000,  0.0321064000000000 ]  - [   0.0006335100000000, -0.0006599900000000,  0.0008115000000000 ]  - [   0.0674349200000000, -0.0507119000000000, -0.0338011200000000 ]  - [   0.0009308900000000, -0.0009584000000000, -0.0008221900000000 ]  - [   0.0078892700000000,  0.0011004600000000,  0.0034816400000000 ]  - [   0.0019367700000000, -0.0017206000000000,  0.0012003600000000 ]  - [  -0.0020425200000000,  0.0031844300000000,  0.0030528100000000 ]  - [  -0.0021118200000000,  0.0015876700000000, -0.0013627100000000 ]  - [  -0.0021112700000000,  0.0032896700000000, -0.0032256900000000 ]  - [  -0.0021891700000000,  0.0016696400000000,  0.0011934700000000 ]  - [   0.0077009900000000,  0.0008879800000000, -0.0031289600000000 ]  - [   0.0018395900000000, -0.0018147900000000, -0.0010328700000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0016482000000000,  0.0001416300000000,  0.0019345500000000 ]  - [  -0.0005710600000000, -0.0004457900000000, -0.0011066400000000 ]  - [  -0.0016482000000000, -0.0001416300000000,  0.0019345500000000 ]  - [   0.0005710600000000,  0.0004457900000000, -0.0011066400000000 ]  - [   0.0035757700000000, -0.0013597800000000, -0.0065445400000000 ]  - [  -0.0001556800000000, -0.0001940400000000,  0.0026503500000000 ]  - [  -0.0035757700000000,  0.0013597800000000, -0.0065445400000000 ]  - [   0.0001556800000000,  0.0001940400000000,  0.0026503500000000 ]  - [   0.0001416300000000,  0.0016482000000000,  0.0019345500000000 ]  - [  -0.0004457900000000, -0.0005710600000000, -0.0011066400000000 ]  - [  -0.0013597800000000,  0.0035757700000000, -0.0065445400000000 ]  - [  -0.0001940400000000, -0.0001556800000000,  0.0026503500000000 ]  - [   0.0013597800000000, -0.0035757700000000, -0.0065445400000000 ]  - [   0.0001940400000000,  0.0001556800000000,  0.0026503500000000 ]  - [  -0.0001416300000000, -0.0016482000000000,  0.0019345500000000 ]  - [   0.0004457900000000,  0.0005710600000000, -0.0011066400000000 ]  - [   0.0007850700000000,  0.0007850700000000, -0.0019382600000000 ]  - [   0.0002182800000000,  0.0002182800000000,  0.0021329400000000 ]  - [  -0.0017993400000000,  0.0017993400000000,  0.0044868800000000 ]  - [   0.0092649000000000, -0.0092649000000000,  0.0107470400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1107533900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024248000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005327200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010200800000000 ]  - [  -0.0007850700000000, -0.0007850700000000, -0.0019382600000000 ]  - [  -0.0002182800000000, -0.0002182800000000,  0.0021329400000000 ]  - [   0.0017993400000000, -0.0017993400000000,  0.0044868800000000 ]  - [  -0.0092649000000000,  0.0092649000000000,  0.0107470400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019855000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014906600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019855000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014906600000000 ]  - [  -0.0008946800000000, -0.0008946800000000, -0.0028042100000000 ]  - [   0.0003543800000000,  0.0003543800000000,  0.0028026700000000 ]  - [   0.0008946800000000,  0.0008946800000000, -0.0028042100000000 ]  - [  -0.0003543800000000, -0.0003543800000000,  0.0028026700000000 ]  - [   0.0322746900000000, -0.0322746900000000,  0.0467055200000000 ]  - [  -0.0002844700000000,  0.0002844700000000, -0.0050191900000000 ]  - [  -0.0322746900000000,  0.0322746900000000,  0.0467055200000000 ]  - [   0.0002844700000000, -0.0002844700000000, -0.0050191900000000 ]  - [   0.0029483600000000,  0.0029483600000000,  0.0077224300000000 ]  - [   0.0024673300000000,  0.0024673300000000, -0.0035551600000000 ]  - [   0.0004852100000000, -0.0004852100000000,  0.0010723600000000 ]  - [  -0.0018593200000000,  0.0018593200000000, -0.0023073200000000 ]  - [  -0.0004852100000000,  0.0004852100000000,  0.0010723600000000 ]  - [   0.0018593200000000, -0.0018593200000000, -0.0023073200000000 ]  - [  -0.0029483600000000, -0.0029483600000000,  0.0077224300000000 ]  - [  -0.0024673300000000, -0.0024673300000000, -0.0035551600000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0019428000000000, -0.0001177300000000, -0.0019914400000000 ]  - [   0.0002656700000000,  0.0004625900000000,  0.0010571500000000 ]  - [   0.0019428000000000,  0.0001177300000000, -0.0019914400000000 ]  - [  -0.0002656700000000, -0.0004625900000000,  0.0010571500000000 ]  - [  -0.0036612700000000,  0.0010890100000000,  0.0065824600000000 ]  - [   0.0001361600000000, -0.0001143900000000, -0.0025796700000000 ]  - [   0.0036612700000000, -0.0010890100000000,  0.0065824600000000 ]  - [  -0.0001361600000000,  0.0001143900000000, -0.0025796700000000 ]  - [  -0.0001177300000000, -0.0019428000000000, -0.0019914400000000 ]  - [   0.0004625900000000,  0.0002656700000000,  0.0010571500000000 ]  - [   0.0010890100000000, -0.0036612700000000,  0.0065824600000000 ]  - [  -0.0001143900000000,  0.0001361600000000, -0.0025796700000000 ]  - [  -0.0010890100000000,  0.0036612700000000,  0.0065824600000000 ]  - [   0.0001143900000000, -0.0001361600000000, -0.0025796700000000 ]  - [   0.0001177300000000,  0.0019428000000000, -0.0019914400000000 ]  - [  -0.0004625900000000, -0.0002656700000000,  0.0010571500000000 ]  - [  -0.0006140200000000, -0.0006140200000000,  0.0023860500000000 ]  - [  -0.0000511200000000, -0.0000511200000000, -0.0016706700000000 ]  - [   0.0019448300000000, -0.0019448300000000, -0.0049143800000000 ]  - [  -0.0092312200000000,  0.0092312200000000, -0.0113642700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1098255700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025277300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004290300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011343200000000 ]  - [   0.0006140200000000,  0.0006140200000000,  0.0023860500000000 ]  - [   0.0000511200000000,  0.0000511200000000, -0.0016706700000000 ]  - [  -0.0019448300000000,  0.0019448300000000, -0.0049143800000000 ]  - [   0.0092312200000000, -0.0092312200000000, -0.0113642700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020245400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014914200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020245400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014914200000000 ]  - [   0.0005817700000000,  0.0005817700000000,  0.0027750800000000 ]  - [  -0.0006558100000000, -0.0006558100000000, -0.0028305000000000 ]  - [  -0.0005817700000000, -0.0005817700000000,  0.0027750800000000 ]  - [   0.0006558100000000,  0.0006558100000000, -0.0028305000000000 ]  - [  -0.0332818300000000,  0.0332818300000000, -0.0464055800000000 ]  - [  -0.0000231500000000,  0.0000231500000000,  0.0050328500000000 ]  - [   0.0332818300000000, -0.0332818300000000, -0.0464055800000000 ]  - [   0.0000231500000000, -0.0000231500000000,  0.0050328500000000 ]  - [  -0.0025762700000000, -0.0025762700000000, -0.0072502600000000 ]  - [  -0.0023765200000000, -0.0023765200000000,  0.0037346900000000 ]  - [  -0.0003899500000000,  0.0003899500000000, -0.0012134700000000 ]  - [   0.0019660300000000, -0.0019660300000000,  0.0021150000000000 ]  - [   0.0003899500000000, -0.0003899500000000, -0.0012134700000000 ]  - [  -0.0019660300000000,  0.0019660300000000,  0.0021150000000000 ]  - [   0.0025762700000000,  0.0025762700000000, -0.0072502600000000 ]  - [   0.0023765200000000,  0.0023765200000000,  0.0037346900000000 ]- atom:   29  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006388500000000,  0.0003214500000000,  0.0000635500000000 ]  - [  -0.0056980200000000,  0.0040392700000000,  0.0006490700000000 ]  - [  -0.0003316800000000,  0.0003051000000000, -0.0001371900000000 ]  - [  -0.0054034100000000,  0.0040376600000000, -0.0007043400000000 ]  - [  -0.0018535700000000, -0.0009892300000000, -0.0000481600000000 ]  - [  -0.0002782200000000, -0.0000299300000000,  0.0006723900000000 ]  - [  -0.0018657400000000, -0.0006882500000000,  0.0001163400000000 ]  - [  -0.0002651900000000,  0.0002807300000000, -0.0006009700000000 ]  - [   0.0003304000000000, -0.0000284900000000, -0.0004513600000000 ]  - [   0.0374391700000000, -0.0165973300000000, -0.0314127100000000 ]  - [   0.0105923400000000,  0.0154148200000000, -0.0139086600000000 ]  - [   0.0008353000000000, -0.0001424900000000, -0.0000174600000000 ]  - [   0.0106484500000000,  0.0155938200000000,  0.0141815000000000 ]  - [   0.0011422800000000, -0.0001367500000000,  0.0000816400000000 ]  - [   0.0003190500000000,  0.0002769200000000,  0.0003879500000000 ]  - [   0.0358134100000000, -0.0152164800000000,  0.0296736400000000 ]  - [  -0.0057447600000000,  0.0016627200000000, -0.0036441700000000 ]  - [  -0.0012681300000000,  0.0000360000000000,  0.0018094300000000 ]  - [   0.0003932800000000, -0.0004283300000000,  0.0004523500000000 ]  - [   0.0017235700000000, -0.0023301800000000, -0.0017267300000000 ]  - [   0.0039812200000000, -0.0062254400000000, -0.0000406000000000 ]  - [   0.0015065600000000,  0.0001591200000000, -0.0000410700000000 ]  - [  -0.0011830800000000, -0.0005521100000000,  0.0000389000000000 ]  - [  -0.0119565200000000, -0.0046757000000000,  0.0000512900000000 ]  - [  -0.0059019200000000,  0.0014751100000000,  0.0041080300000000 ]  - [  -0.0014348100000000, -0.0001323500000000, -0.0013442800000000 ]  - [   0.0002285800000000, -0.0002632500000000, -0.0009132100000000 ]  - [   0.0015724700000000, -0.0021591400000000,  0.0012509900000000 ]  - [  -0.1294059200000000,  0.0000201700000000,  0.0015349100000000 ]  - [  -0.0009758600000000,  0.0000001500000000, -0.0000001400000000 ]  - [   0.0030169600000000, -0.0027307000000000,  0.0000003100000000 ]  - [   0.0009081800000000, -0.0002640900000000,  0.0000007100000000 ]  - [   0.0004531000000000,  0.0001797300000000, -0.0008702700000000 ]  - [   0.0280529500000000, -0.0073415200000000,  0.0007714600000000 ]  - [   0.0007576300000000,  0.0004811400000000,  0.0008491700000000 ]  - [   0.0281648900000000, -0.0068953500000000, -0.0009004100000000 ]  - [   0.0000892900000000,  0.0123470700000000,  0.0007884800000000 ]  - [  -0.0008765000000000,  0.0001586700000000, -0.0002281200000000 ]  - [   0.0003361700000000,  0.0120391800000000, -0.0007472400000000 ]  - [  -0.0005763700000000, -0.0001424300000000,  0.0002510900000000 ]  - [  -0.0026866400000000, -0.0009585800000000,  0.0010852200000000 ]  - [  -0.0020364900000000, -0.0040482400000000, -0.0036752600000000 ]  - [   0.0045339900000000,  0.0015222900000000, -0.0030594400000000 ]  - [   0.0040552000000000,  0.0030394200000000,  0.0032226200000000 ]  - [   0.0044190100000000,  0.0016417300000000,  0.0028990600000000 ]  - [   0.0039592800000000,  0.0031453700000000, -0.0034223400000000 ]  - [  -0.0027618600000000, -0.0010517000000000, -0.0009058500000000 ]  - [  -0.0021291700000000, -0.0041495700000000,  0.0038598700000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0004212200000000, -0.0000621400000000, -0.0013159800000000 ]  - [   0.0034370000000000, -0.0044465500000000,  0.0015631500000000 ]  - [   0.0004212200000000,  0.0000621400000000, -0.0013159800000000 ]  - [  -0.0034370000000000,  0.0044465500000000,  0.0015631500000000 ]  - [  -0.0044181900000000, -0.0037239600000000,  0.0016131500000000 ]  - [  -0.0000534800000000,  0.0001208900000000, -0.0012683500000000 ]  - [   0.0044181900000000,  0.0037239600000000,  0.0016131500000000 ]  - [   0.0000534800000000, -0.0001208900000000, -0.0012683500000000 ]  - [  -0.0007852400000000,  0.0000552800000000, -0.0023358500000000 ]  - [  -0.0261180300000000,  0.0112332200000000,  0.0286644200000000 ]  - [  -0.0120389100000000, -0.0271983900000000,  0.0290773000000000 ]  - [  -0.0003489700000000, -0.0007648000000000, -0.0022789700000000 ]  - [   0.0120389100000000,  0.0271983900000000,  0.0290773000000000 ]  - [   0.0003489700000000,  0.0007648000000000, -0.0022789700000000 ]  - [   0.0007852400000000, -0.0000552800000000, -0.0023358500000000 ]  - [   0.0261180300000000, -0.0112332200000000,  0.0286644200000000 ]  - [  -0.0006917600000000,  0.0003944400000000,  0.0056575600000000 ]  - [   0.0001855400000000, -0.0001213600000000, -0.0023482100000000 ]  - [   0.0002879700000000,  0.0000242100000000, -0.0027804500000000 ]  - [  -0.0002292400000000, -0.0008566500000000,  0.0051987500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019428200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015542300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014365100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020579700000000 ]  - [   0.0006917600000000, -0.0003944400000000,  0.0056575600000000 ]  - [  -0.0001855400000000,  0.0001213600000000, -0.0023482100000000 ]  - [  -0.0002879700000000, -0.0000242100000000, -0.0027804500000000 ]  - [   0.0002292400000000,  0.0008566500000000,  0.0051987500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1034840900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027350700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048215800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011824300000000 ]  - [   0.0005538300000000, -0.0002856900000000,  0.0028646500000000 ]  - [  -0.0087727000000000,  0.0038931700000000, -0.0127802800000000 ]  - [  -0.0005538300000000,  0.0002856900000000,  0.0028646500000000 ]  - [   0.0087727000000000, -0.0038931700000000, -0.0127802800000000 ]  - [  -0.0041709500000000, -0.0084220700000000, -0.0127415400000000 ]  - [  -0.0000164500000000,  0.0008405000000000,  0.0028872600000000 ]  - [   0.0041709500000000,  0.0084220700000000, -0.0127415400000000 ]  - [   0.0000164500000000, -0.0008405000000000,  0.0028872600000000 ]  - [   0.0030363700000000, -0.0017327900000000,  0.0030495000000000 ]  - [   0.0000414100000000,  0.0047154000000000,  0.0031383500000000 ]  - [  -0.0046274500000000, -0.0000768300000000,  0.0029482000000000 ]  - [   0.0018086300000000,  0.0029323100000000,  0.0028764000000000 ]  - [   0.0046274500000000,  0.0000768300000000,  0.0029482000000000 ]  - [  -0.0018086300000000, -0.0029323100000000,  0.0028764000000000 ]  - [  -0.0030363700000000,  0.0017327900000000,  0.0030495000000000 ]  - [  -0.0000414100000000, -0.0047154000000000,  0.0031383500000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0400383800000000, -0.0396858800000000, -0.0229703000000000 ]  - [   0.0002178500000000, -0.0003476200000000,  0.0001372400000000 ]  - [  -0.0032094300000000, -0.0072532600000000,  0.0013198100000000 ]  - [   0.0003993900000000, -0.0002465400000000, -0.0001300300000000 ]  - [   0.0008392400000000, -0.0005271300000000, -0.0002056400000000 ]  - [   0.0041635700000000,  0.0012200300000000, -0.0012970400000000 ]  - [  -0.0006887600000000,  0.0006529400000000,  0.0012050700000000 ]  - [  -0.0057253700000000,  0.0004542100000000, -0.0013103100000000 ]  - [   0.1295340900000000, -0.0375464500000000,  0.0646129500000000 ]  - [   0.0004624800000000, -0.0001574200000000, -0.0002236200000000 ]  - [  -0.0023513000000000, -0.0001867200000000, -0.0002714700000000 ]  - [  -0.0094565700000000, -0.0031143100000000,  0.0031950300000000 ]  - [   0.0003659100000000,  0.0006645300000000, -0.0006242200000000 ]  - [  -0.0008181700000000,  0.0068492300000000,  0.0038736200000000 ]  - [  -0.0129704300000000,  0.0011159500000000,  0.0006796000000000 ]  - [  -0.0007419300000000,  0.0004970300000000, -0.0000976100000000 ]  - [   0.0033201500000000,  0.0001282100000000, -0.0005311000000000 ]  - [   0.0272666700000000,  0.0007819400000000,  0.0066747900000000 ]  - [  -0.0055931500000000, -0.0016327400000000, -0.0008472300000000 ]  - [  -0.0004884200000000, -0.0004242400000000, -0.0001654200000000 ]  - [  -0.0012313700000000, -0.0002697400000000, -0.0007935200000000 ]  - [  -0.0021772300000000, -0.0002530000000000,  0.0004538600000000 ]  - [   0.0673111000000000,  0.0505365200000000, -0.0335658700000000 ]  - [   0.0007882100000000,  0.0008138200000000,  0.0001840300000000 ]  - [  -0.0002204400000000, -0.0007488600000000,  0.0021834900000000 ]  - [  -0.0045018600000000, -0.0034740700000000, -0.0062841800000000 ]  - [   0.0011865500000000,  0.0022246900000000, -0.0006423800000000 ]  - [  -0.0000375400000000,  0.0002202500000000, -0.0002497300000000 ]  - [   0.0006025300000000, -0.0000062500000000,  0.0007011500000000 ]  - [   0.0280029400000000, -0.0121151300000000, -0.0086131000000000 ]  - [  -0.0007337600000000,  0.0003299700000000, -0.0001325500000000 ]  - [   0.0001693700000000, -0.0071237800000000,  0.0040169600000000 ]  - [  -0.2943580600000000,  0.0191923600000000, -0.0158334100000000 ]  - [  -0.0000941000000000, -0.0005880100000000,  0.0005048700000000 ]  - [   0.0278458700000000,  0.0220738600000000,  0.0053699600000000 ]  - [  -0.0001565300000000, -0.0004738900000000, -0.0010368200000000 ]  - [   0.0012575400000000,  0.0001420900000000, -0.0001377700000000 ]  - [   0.0117607900000000,  0.0054727600000000, -0.0002367000000000 ]  - [  -0.0002097200000000, -0.0001451100000000,  0.0003091600000000 ]  - [  -0.0040433600000000, -0.0055009300000000,  0.0002444600000000 ]  - [  -0.0006009100000000,  0.0140178300000000,  0.0133644000000000 ]  - [  -0.0002276800000000,  0.0022336700000000, -0.0054638900000000 ]  - [   0.0110084900000000, -0.0040008900000000, -0.0126113600000000 ]  - [   0.0032406000000000, -0.0009785600000000,  0.0057684100000000 ]  - [  -0.0117358500000000, -0.0033359000000000,  0.0001361100000000 ]  - [  -0.0037946100000000, -0.0005084800000000, -0.0003627500000000 ]  - [   0.0032866700000000,  0.0005908500000000, -0.0007508700000000 ]  - [   0.0030981400000000,  0.0004321700000000,  0.0004539100000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0407918200000000,  0.0395805500000000,  0.0227538000000000 ]  - [  -0.0005281000000000,  0.0003696400000000, -0.0002084300000000 ]  - [   0.0035427400000000,  0.0072514200000000, -0.0013936000000000 ]  - [  -0.0000911200000000,  0.0002255700000000,  0.0000524200000000 ]  - [  -0.0008662000000000,  0.0002224800000000,  0.0002714700000000 ]  - [  -0.0042283200000000, -0.0015599800000000,  0.0013996300000000 ]  - [   0.0007193600000000, -0.0003389800000000, -0.0011372700000000 ]  - [   0.0057737600000000, -0.0000914000000000,  0.0013990400000000 ]  - [  -0.1355090500000000,  0.0397969800000000, -0.0691588400000000 ]  - [  -0.0004245200000000, -0.0001625500000000,  0.0001288500000000 ]  - [   0.0020180100000000,  0.0001289600000000,  0.0003561900000000 ]  - [   0.0091905700000000,  0.0031184700000000, -0.0031401500000000 ]  - [  -0.0000570300000000, -0.0006186500000000,  0.0007086700000000 ]  - [   0.0011011500000000, -0.0068646400000000, -0.0038041400000000 ]  - [   0.0129876200000000, -0.0008331200000000, -0.0007256400000000 ]  - [   0.0006937600000000, -0.0001805800000000, -0.0000036400000000 ]  - [  -0.0031510600000000,  0.0000409200000000,  0.0009509000000000 ]  - [  -0.0271748300000000, -0.0006233400000000, -0.0075317600000000 ]  - [   0.0057601200000000,  0.0014797200000000,  0.0004436000000000 ]  - [   0.0006515800000000,  0.0002537200000000, -0.0002705500000000 ]  - [   0.0012158400000000,  0.0002817500000000,  0.0006696300000000 ]  - [   0.0021534000000000,  0.0002724300000000, -0.0005752800000000 ]  - [  -0.0653411500000000, -0.0477872100000000,  0.0320320900000000 ]  - [  -0.0007831700000000, -0.0008126700000000, -0.0000649700000000 ]  - [   0.0000495700000000,  0.0005740900000000, -0.0017606800000000 ]  - [   0.0043344400000000,  0.0032723900000000,  0.0067246200000000 ]  - [  -0.0013809300000000, -0.0020486600000000,  0.0002227800000000 ]  - [  -0.0001454200000000, -0.0000469700000000, -0.0001893900000000 ]  - [  -0.0006034200000000,  0.0000098000000000, -0.0006927300000000 ]  - [  -0.0282083200000000,  0.0122712900000000,  0.0085815400000000 ]  - [   0.0007258400000000, -0.0003317000000000,  0.0001375100000000 ]  - [  -0.0002521500000000,  0.0071125600000000, -0.0040485100000000 ]  - [   0.2987921300000000, -0.0248252100000000,  0.0235994600000000 ]  - [  -0.0002096700000000,  0.0002864300000000, -0.0005017400000000 ]  - [  -0.0275412700000000, -0.0216357300000000, -0.0054995500000000 ]  - [   0.0004504100000000,  0.0007751900000000,  0.0010404900000000 ]  - [  -0.0015609100000000,  0.0001592600000000,  0.0001478600000000 ]  - [  -0.0120586700000000, -0.0052420000000000,  0.0002125800000000 ]  - [   0.0005131200000000, -0.0001612600000000, -0.0003001100000000 ]  - [   0.0044023300000000,  0.0052117200000000, -0.0002775600000000 ]  - [   0.0007403900000000, -0.0139334500000000, -0.0132424900000000 ]  - [   0.0003570400000000, -0.0021670100000000,  0.0056631300000000 ]  - [  -0.0108862100000000,  0.0039215300000000,  0.0123337600000000 ]  - [  -0.0031525800000000,  0.0008856000000000, -0.0058636700000000 ]  - [   0.0116504700000000,  0.0033964400000000, -0.0002697700000000 ]  - [   0.0037047000000000,  0.0005966800000000,  0.0001699400000000 ]  - [  -0.0033877800000000, -0.0006977100000000,  0.0009210300000000 ]  - [  -0.0031946500000000, -0.0005327800000000, -0.0002604900000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0223993700000000,  0.0671073300000000,  0.0679957300000000 ]  - [  -0.0008419500000000,  0.0007096300000000, -0.0065249000000000 ]  - [   0.0023391000000000,  0.0026923800000000,  0.0016838500000000 ]  - [  -0.0005434400000000, -0.0002809100000000, -0.0017540700000000 ]  - [  -0.0000274500000000,  0.0002660600000000, -0.0030624200000000 ]  - [  -0.0012565600000000,  0.0000866600000000,  0.0062088700000000 ]  - [   0.0001009400000000, -0.0004641500000000, -0.0025879400000000 ]  - [  -0.0006685700000000,  0.0032929800000000,  0.0054764500000000 ]  - [   0.0671073300000000, -0.0223993700000000,  0.0679957300000000 ]  - [   0.0007096300000000, -0.0008419500000000, -0.0065249000000000 ]  - [   0.0002660600000000, -0.0000274500000000, -0.0030624200000000 ]  - [   0.0000866600000000, -0.0012565600000000,  0.0062088700000000 ]  - [  -0.0004641500000000,  0.0001009400000000, -0.0025879400000000 ]  - [   0.0032929800000000, -0.0006685700000000,  0.0054764500000000 ]  - [   0.0026923800000000,  0.0023391000000000,  0.0016838500000000 ]  - [  -0.0002809100000000, -0.0005434400000000, -0.0017540700000000 ]  - [  -0.0000836300000000, -0.0000836300000000, -0.0092654400000000 ]  - [   0.0065841000000000,  0.0065841000000000,  0.2371216800000000 ]  - [  -0.0002120100000000, -0.0012370900000000,  0.0028015100000000 ]  - [   0.0006986500000000,  0.0009191100000000, -0.0035542300000000 ]  - [  -0.0006540900000000, -0.0006540900000000, -0.0028699200000000 ]  - [   0.0007222400000000,  0.0007222400000000,  0.0027371000000000 ]  - [  -0.0325719300000000, -0.0325719300000000,  0.0466740400000000 ]  - [  -0.0008082900000000, -0.0008082900000000, -0.0049341300000000 ]  - [   0.0004081100000000,  0.0004081100000000, -0.0032311000000000 ]  - [  -0.0036446900000000, -0.0036446900000000,  0.0081270900000000 ]  - [  -0.0012370900000000, -0.0002120100000000,  0.0028015100000000 ]  - [   0.0009191100000000,  0.0006986500000000, -0.0035542300000000 ]  - [  -0.0008616200000000,  0.0002413200000000,  0.0028826800000000 ]  - [   0.0008544100000000, -0.0007750200000000, -0.0127703600000000 ]  - [   0.0002413200000000, -0.0008616200000000,  0.0028826800000000 ]  - [  -0.0007750200000000,  0.0008544100000000, -0.0127703600000000 ]  - [  -0.0197443400000000, -0.0197443400000000, -0.4425237700000000 ]  - [   0.0003575900000000,  0.0003575900000000,  0.0113471100000000 ]  - [  -0.0053197600000000, -0.0053197600000000, -0.0158835500000000 ]  - [   0.0011907400000000,  0.0011907400000000,  0.0044105900000000 ]  - [  -0.0000031200000000,  0.0004503100000000,  0.0048886200000000 ]  - [   0.0000813300000000,  0.0004132000000000, -0.0076110900000000 ]  - [   0.0004503100000000, -0.0000031200000000,  0.0048886200000000 ]  - [   0.0004132000000000,  0.0000813300000000, -0.0076110900000000 ]  - [   0.0115196200000000,  0.0115196200000000,  0.0145119400000000 ]  - [  -0.0108454800000000, -0.0108454800000000,  0.0108809100000000 ]  - [  -0.0099308500000000,  0.0009860000000000,  0.0091175600000000 ]  - [   0.0132711000000000, -0.0011204300000000,  0.0072548300000000 ]  - [   0.0009860000000000, -0.0099308500000000,  0.0091175600000000 ]  - [  -0.0011204300000000,  0.0132711000000000,  0.0072548300000000 ]  - [  -0.0006414800000000, -0.0006414800000000,  0.0019902500000000 ]  - [  -0.0003567400000000, -0.0003567400000000,  0.0000170400000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0228080300000000, -0.0691719900000000, -0.0685128800000000 ]  - [   0.0005257700000000, -0.0006743500000000,  0.0064510000000000 ]  - [  -0.0020119900000000, -0.0026937200000000, -0.0017714600000000 ]  - [   0.0008639800000000,  0.0002243500000000,  0.0016772600000000 ]  - [  -0.0000226000000000, -0.0005814100000000,  0.0031422300000000 ]  - [   0.0012068900000000, -0.0003957200000000, -0.0061140400000000 ]  - [  -0.0000524300000000,  0.0007882100000000,  0.0026614400000000 ]  - [   0.0007096900000000, -0.0029674600000000, -0.0053792300000000 ]  - [  -0.0691719900000000,  0.0228080300000000, -0.0685128800000000 ]  - [  -0.0006743500000000,  0.0005257700000000,  0.0064510000000000 ]  - [  -0.0005814100000000, -0.0000226000000000,  0.0031422300000000 ]  - [  -0.0003957200000000,  0.0012068900000000, -0.0061140400000000 ]  - [   0.0007882100000000, -0.0000524300000000,  0.0026614400000000 ]  - [  -0.0029674600000000,  0.0007096900000000, -0.0053792300000000 ]  - [  -0.0026937200000000, -0.0020119900000000, -0.0017714600000000 ]  - [   0.0002243500000000,  0.0008639800000000,  0.0016772600000000 ]  - [   0.0002576000000000,  0.0002576000000000,  0.0098195200000000 ]  - [  -0.0059672800000000, -0.0059672800000000, -0.2223973000000000 ]  - [   0.0003900800000000,  0.0010617800000000, -0.0032428200000000 ]  - [  -0.0005242000000000, -0.0010910200000000,  0.0031149500000000 ]  - [   0.0006607200000000,  0.0006607200000000,  0.0027350600000000 ]  - [  -0.0007248300000000, -0.0007248300000000, -0.0028678300000000 ]  - [   0.0333190400000000,  0.0333190400000000, -0.0464769100000000 ]  - [   0.0008124900000000,  0.0008124900000000,  0.0050822800000000 ]  - [  -0.0005862900000000, -0.0005862900000000,  0.0036404400000000 ]  - [   0.0034501800000000,  0.0034501800000000, -0.0076480900000000 ]  - [   0.0010617800000000,  0.0003900800000000, -0.0032428200000000 ]  - [  -0.0010910200000000, -0.0005242000000000,  0.0031149500000000 ]  - [   0.0008553500000000, -0.0002366500000000, -0.0028855700000000 ]  - [  -0.0008183800000000,  0.0007613500000000,  0.0127326400000000 ]  - [  -0.0002366500000000,  0.0008553500000000, -0.0028855700000000 ]  - [   0.0007613500000000, -0.0008183800000000,  0.0127326400000000 ]  - [   0.0196443200000000,  0.0196443200000000,  0.4291390000000000 ]  - [  -0.0006630300000000, -0.0006630300000000, -0.0114465100000000 ]  - [   0.0055634300000000,  0.0055634300000000,  0.0157616100000000 ]  - [  -0.0008756900000000, -0.0008756900000000, -0.0044211500000000 ]  - [  -0.0003068600000000, -0.0001417900000000, -0.0048770800000000 ]  - [  -0.0003828400000000, -0.0000943800000000,  0.0076001400000000 ]  - [  -0.0001417900000000, -0.0003068600000000, -0.0048770800000000 ]  - [  -0.0000943800000000, -0.0003828400000000,  0.0076001400000000 ]  - [  -0.0115845900000000, -0.0115845900000000, -0.0144166000000000 ]  - [   0.0109093800000000,  0.0109093800000000, -0.0106507900000000 ]  - [   0.0101447600000000, -0.0010801700000000, -0.0092994100000000 ]  - [  -0.0131316200000000,  0.0010266700000000, -0.0073996300000000 ]  - [  -0.0010801700000000,  0.0101447600000000, -0.0092994100000000 ]  - [   0.0010266700000000, -0.0131316200000000, -0.0073996300000000 ]  - [   0.0005378000000000,  0.0005378000000000, -0.0017967300000000 ]  - [   0.0002594400000000,  0.0002594400000000,  0.0001489700000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0097291700000000, -0.0008878800000000,  0.0026613300000000 ]  - [  -0.0008664500000000,  0.0008237600000000,  0.0023030400000000 ]  - [  -0.0024129200000000,  0.0003928400000000, -0.0002974600000000 ]  - [  -0.0011306100000000, -0.0000596900000000,  0.0001539900000000 ]  - [   0.0048218800000000,  0.0025169100000000,  0.0032480500000000 ]  - [   0.0017173900000000,  0.0013404800000000, -0.0005373800000000 ]  - [  -0.0056657400000000, -0.0008605600000000,  0.0001983500000000 ]  - [  -0.0040528300000000, -0.0003627800000000,  0.0017131900000000 ]  - [   0.0069923300000000, -0.0026227400000000, -0.0006483600000000 ]  - [   0.0032171300000000, -0.0004499500000000,  0.0012712600000000 ]  - [  -0.0026474700000000,  0.0029174400000000, -0.0051470400000000 ]  - [   0.0005034600000000,  0.0016813400000000,  0.0023978100000000 ]  - [   0.0034435400000000, -0.0005408300000000, -0.0001901800000000 ]  - [   0.0009047500000000, -0.0006151900000000,  0.0001352600000000 ]  - [  -0.0014118900000000,  0.0007300300000000,  0.0009750300000000 ]  - [  -0.0013436700000000,  0.0011675100000000, -0.0007172400000000 ]  - [   0.0068682700000000,  0.0022448400000000, -0.0002258800000000 ]  - [   0.0006691400000000, -0.0017796500000000, -0.0027140300000000 ]  - [  -0.0013806500000000, -0.0001529700000000,  0.0040687600000000 ]  - [  -0.0009622700000000, -0.0006614500000000, -0.0030256600000000 ]  - [   0.0077156800000000,  0.0009159300000000,  0.0025743400000000 ]  - [   0.0018765900000000, -0.0017584300000000,  0.0023427300000000 ]  - [  -0.0020686000000000, -0.0032437600000000, -0.0003685700000000 ]  - [  -0.0021464100000000, -0.0016258600000000,  0.0019841300000000 ]  - [  -0.0023162500000000, -0.0004990900000000, -0.0001009900000000 ]  - [  -0.0010727000000000, -0.0002725400000000, -0.0002324200000000 ]  - [   0.0056656500000000, -0.0015618100000000,  0.0007445000000000 ]  - [   0.0023093900000000, -0.0006778200000000, -0.0007755700000000 ]  - [  -0.0027197800000000, -0.0030869600000000,  0.0029840300000000 ]  - [  -0.0020639600000000, -0.0015774900000000, -0.0000220400000000 ]  - [   0.0039949200000000, -0.0010160200000000, -0.0017801000000000 ]  - [   0.0044751900000000, -0.0041072100000000,  0.0046875600000000 ]  - [  -0.0008752200000000,  0.0138660000000000,  0.0115822600000000 ]  - [  -0.0004512500000000,  0.0020529800000000, -0.0108708700000000 ]  - [   0.0034915000000000,  0.0007928300000000,  0.0005961600000000 ]  - [   0.0032973900000000,  0.0006343000000000,  0.0003111700000000 ]  - [   0.0107903800000000,  0.0035072500000000,  0.0099772700000000 ]  - [   0.0030381100000000,  0.0007023100000000, -0.0131575800000000 ]  - [  -0.0115278200000000,  0.0038266700000000,  0.0010479600000000 ]  - [  -0.0035932400000000,  0.0007742600000000, -0.0011177100000000 ]  - [  -0.0536690000000000, -0.0206412700000000, -0.0162843900000000 ]  - [  -0.0026616300000000, -0.0008316100000000,  0.0001757800000000 ]  - [   0.0140620400000000, -0.0008067600000000, -0.0005272500000000 ]  - [   0.0025984500000000, -0.0008506700000000, -0.0000582300000000 ]  - [  -0.0012081200000000,  0.0008416200000000,  0.0007087500000000 ]  - [  -0.0005333800000000,  0.0008535300000000, -0.0000894400000000 ]  - [   0.0060637600000000,  0.0080443800000000, -0.0001861000000000 ]  - [   0.0005357600000000,  0.0009237700000000,  0.0002317500000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0094405200000000,  0.0009482000000000, -0.0022985900000000 ]  - [   0.0005615700000000, -0.0007964100000000, -0.0023934200000000 ]  - [   0.0027276000000000, -0.0004037600000000,  0.0002013700000000 ]  - [   0.0014515700000000,  0.0000302500000000, -0.0002413200000000 ]  - [  -0.0047876400000000, -0.0029051100000000, -0.0032224300000000 ]  - [  -0.0017299000000000, -0.0016414400000000,  0.0006306900000000 ]  - [   0.0056844100000000,  0.0011809500000000, -0.0000682100000000 ]  - [   0.0040826000000000,  0.0006717100000000, -0.0016304700000000 ]  - [  -0.0069340000000000,  0.0022954400000000,  0.0005772500000000 ]  - [  -0.0032000600000000,  0.0001409200000000, -0.0013488200000000 ]  - [   0.0021968200000000, -0.0029090400000000,  0.0051867800000000 ]  - [  -0.0008268000000000, -0.0017174600000000, -0.0023309600000000 ]  - [  -0.0031444800000000,  0.0005527700000000,  0.0002671500000000 ]  - [  -0.0006009900000000,  0.0006395000000000, -0.0000304800000000 ]  - [   0.0013811800000000, -0.0004256000000000, -0.0010666800000000 ]  - [   0.0013215400000000, -0.0008615500000000,  0.0006411300000000 ]  - [  -0.0064453100000000, -0.0018138900000000,  0.0004634000000000 ]  - [  -0.0004862100000000,  0.0019380500000000,  0.0031604200000000 ]  - [   0.0011693100000000, -0.0000383100000000, -0.0043521800000000 ]  - [   0.0011291300000000,  0.0004973500000000,  0.0025882700000000 ]  - [  -0.0078772300000000, -0.0010709900000000, -0.0029075700000000 ]  - [  -0.0019024800000000,  0.0017783400000000, -0.0024582700000000 ]  - [   0.0020856800000000,  0.0032312700000000,  0.0004653400000000 ]  - [   0.0021588000000000,  0.0016345700000000, -0.0018849400000000 ]  - [   0.0021566800000000,  0.0003266100000000,  0.0005429400000000 ]  - [   0.0009030600000000,  0.0001018800000000,  0.0006663600000000 ]  - [  -0.0058614000000000,  0.0016982400000000, -0.0011543000000000 ]  - [  -0.0024835900000000,  0.0008497900000000,  0.0003283200000000 ]  - [   0.0027331100000000,  0.0030993200000000, -0.0029853600000000 ]  - [   0.0021034600000000,  0.0015858300000000,  0.0000129100000000 ]  - [  -0.0040159500000000,  0.0009930900000000,  0.0017610000000000 ]  - [  -0.0044723800000000,  0.0040913000000000, -0.0046561800000000 ]  - [   0.0004720300000000, -0.0140794000000000, -0.0115412600000000 ]  - [   0.0001380200000000, -0.0023400500000000,  0.0108612300000000 ]  - [  -0.0031897000000000, -0.0004998500000000, -0.0006024100000000 ]  - [  -0.0030032700000000, -0.0003349300000000, -0.0003278600000000 ]  - [  -0.0110969500000000, -0.0032329300000000, -0.0100762800000000 ]  - [  -0.0033501300000000, -0.0004101200000000,  0.0132678200000000 ]  - [   0.0118518200000000, -0.0040889600000000, -0.0009959700000000 ]  - [   0.0039008100000000, -0.0010840600000000,  0.0010548000000000 ]  - [   0.0536421400000000,  0.0206517500000000,  0.0163346900000000 ]  - [   0.0027594800000000,  0.0009215600000000,  0.0000024000000000 ]  - [  -0.0139756000000000,  0.0007828800000000,  0.0003403900000000 ]  - [  -0.0025085800000000,  0.0007590100000000, -0.0001171200000000 ]  - [   0.0010788300000000, -0.0007480200000000, -0.0008796200000000 ]  - [   0.0004315600000000, -0.0007561000000000, -0.0000872500000000 ]  - [  -0.0061644900000000, -0.0082217000000000,  0.0003561200000000 ]  - [  -0.0006235500000000, -0.0010209000000000, -0.0000528200000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0026590600000000, -0.0001029200000000,  0.0068157800000000 ]  - [   0.0008477800000000,  0.0005652900000000, -0.0038389100000000 ]  - [  -0.0006442800000000,  0.0009143700000000,  0.0010689100000000 ]  - [   0.0009844000000000, -0.0008109600000000, -0.0019497800000000 ]  - [   0.0027561700000000, -0.0057640900000000,  0.0003756000000000 ]  - [  -0.0004027300000000,  0.0013915800000000, -0.0031012000000000 ]  - [  -0.0017814800000000, -0.0002946000000000,  0.0018532500000000 ]  - [  -0.0001121700000000,  0.0004852300000000, -0.0030085700000000 ]  - [  -0.0001029200000000,  0.0026590600000000,  0.0068157800000000 ]  - [   0.0005652900000000,  0.0008477800000000, -0.0038389100000000 ]  - [  -0.0057640900000000,  0.0027561700000000,  0.0003756000000000 ]  - [   0.0013915800000000, -0.0004027300000000, -0.0031012000000000 ]  - [  -0.0002946000000000, -0.0017814800000000,  0.0018532500000000 ]  - [   0.0004852300000000, -0.0001121700000000, -0.0030085700000000 ]  - [   0.0009143700000000, -0.0006442800000000,  0.0010689100000000 ]  - [  -0.0008109600000000,  0.0009844000000000, -0.0019497800000000 ]  - [  -0.0008323400000000, -0.0008323400000000,  0.0064433000000000 ]  - [  -0.0009749000000000, -0.0009749000000000, -0.0051776100000000 ]  - [   0.0028021500000000,  0.0001884600000000,  0.0040290300000000 ]  - [  -0.0010466900000000, -0.0000060500000000, -0.0051253400000000 ]  - [   0.0031702400000000,  0.0031702400000000,  0.0072752700000000 ]  - [   0.0011278700000000,  0.0011278700000000, -0.0037023800000000 ]  - [  -0.0031548600000000, -0.0031548600000000,  0.0011974200000000 ]  - [   0.0012827200000000,  0.0012827200000000, -0.0021611400000000 ]  - [   0.0003048300000000,  0.0003048300000000,  0.0020273800000000 ]  - [  -0.0003038500000000, -0.0003038500000000, -0.0018774800000000 ]  - [   0.0001884600000000,  0.0028021500000000,  0.0040290300000000 ]  - [  -0.0000060500000000, -0.0010466900000000, -0.0051253400000000 ]  - [   0.0009881200000000, -0.0033123200000000,  0.0029702400000000 ]  - [  -0.0037690100000000,  0.0029916000000000,  0.0030447600000000 ]  - [  -0.0033123200000000,  0.0009881200000000,  0.0029702400000000 ]  - [   0.0029916000000000, -0.0037690100000000,  0.0030447600000000 ]  - [   0.0132145900000000,  0.0132145900000000,  0.0144957600000000 ]  - [  -0.0056838100000000, -0.0056838100000000,  0.0107469500000000 ]  - [   0.0009954700000000,  0.0009954700000000,  0.0018800200000000 ]  - [  -0.0001965000000000, -0.0001965000000000, -0.0000654500000000 ]  - [   0.0122602700000000,  0.0003622400000000,  0.0091978900000000 ]  - [  -0.0060213300000000, -0.0001079000000000,  0.0073185300000000 ]  - [   0.0003622400000000,  0.0122602700000000,  0.0091978900000000 ]  - [  -0.0001079000000000, -0.0060213300000000,  0.0073185300000000 ]  - [  -0.0163376300000000, -0.0163376300000000, -0.0681222400000000 ]  - [   0.0001384400000000,  0.0001384400000000,  0.0079800700000000 ]  - [   0.0004882100000000,  0.0007337000000000, -0.0089491900000000 ]  - [   0.0000252400000000, -0.0000533000000000,  0.0052335400000000 ]  - [   0.0007337000000000,  0.0004882100000000, -0.0089491900000000 ]  - [  -0.0000533000000000,  0.0000252400000000,  0.0052335400000000 ]  - [   0.0002339500000000,  0.0002339500000000, -0.0079876300000000 ]  - [  -0.0001982400000000, -0.0001982400000000,  0.0051786500000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0026812700000000,  0.0002410300000000, -0.0067147700000000 ]  - [  -0.0012057800000000, -0.0004873400000000,  0.0037085000000000 ]  - [   0.0009722000000000, -0.0009778500000000, -0.0012101900000000 ]  - [  -0.0006470400000000,  0.0007292800000000,  0.0018076800000000 ]  - [  -0.0028348200000000,  0.0053806300000000, -0.0003261100000000 ]  - [   0.0003106100000000, -0.0017147900000000,  0.0032425100000000 ]  - [   0.0018765400000000,  0.0006335100000000, -0.0017283600000000 ]  - [   0.0002047700000000, -0.0001488500000000,  0.0031620500000000 ]  - [   0.0002410300000000, -0.0026812700000000, -0.0067147700000000 ]  - [  -0.0004873400000000, -0.0012057800000000,  0.0037085000000000 ]  - [   0.0053806300000000, -0.0028348200000000, -0.0003261100000000 ]  - [  -0.0017147900000000,  0.0003106100000000,  0.0032425100000000 ]  - [   0.0006335100000000,  0.0018765400000000, -0.0017283600000000 ]  - [  -0.0001488500000000,  0.0002047700000000,  0.0031620500000000 ]  - [  -0.0009778500000000,  0.0009722000000000, -0.0012101900000000 ]  - [   0.0007292800000000, -0.0006470400000000,  0.0018076800000000 ]  - [   0.0011557900000000,  0.0011557900000000, -0.0061044200000000 ]  - [   0.0011469700000000,  0.0011469700000000,  0.0056095700000000 ]  - [  -0.0027265800000000, -0.0003754400000000, -0.0043835100000000 ]  - [   0.0012344900000000, -0.0001720100000000,  0.0046771300000000 ]  - [  -0.0034425200000000, -0.0034425200000000, -0.0077024100000000 ]  - [  -0.0011064000000000, -0.0011064000000000,  0.0035769100000000 ]  - [   0.0031236300000000,  0.0031236300000000, -0.0010784800000000 ]  - [  -0.0012847000000000, -0.0012847000000000,  0.0022659500000000 ]  - [  -0.0004810700000000, -0.0004810700000000, -0.0015880200000000 ]  - [   0.0001226100000000,  0.0001226100000000,  0.0023635400000000 ]  - [  -0.0003754400000000, -0.0027265800000000, -0.0043835100000000 ]  - [  -0.0001720100000000,  0.0012344900000000,  0.0046771300000000 ]  - [  -0.0010047700000000,  0.0033322300000000, -0.0029656500000000 ]  - [   0.0037670500000000, -0.0029680400000000, -0.0030511600000000 ]  - [   0.0033322300000000, -0.0010047700000000, -0.0029656500000000 ]  - [  -0.0029680400000000,  0.0037670500000000, -0.0030511600000000 ]  - [  -0.0133835700000000, -0.0133835700000000, -0.0144276300000000 ]  - [   0.0054549300000000,  0.0054549300000000, -0.0107796700000000 ]  - [  -0.0006855400000000, -0.0006855400000000, -0.0018967400000000 ]  - [   0.0005069500000000,  0.0005069500000000,  0.0000733300000000 ]  - [  -0.0126760700000000, -0.0000523700000000, -0.0092109900000000 ]  - [   0.0056206700000000,  0.0004149600000000, -0.0073264100000000 ]  - [  -0.0000523700000000, -0.0126760700000000, -0.0092109900000000 ]  - [   0.0004149600000000,  0.0056206700000000, -0.0073264100000000 ]  - [   0.0162767900000000,  0.0162767900000000,  0.0682380600000000 ]  - [  -0.0000425200000000, -0.0000425200000000, -0.0078056800000000 ]  - [  -0.0003879900000000, -0.0008447500000000,  0.0087789700000000 ]  - [   0.0000760000000000, -0.0000417700000000, -0.0054196900000000 ]  - [  -0.0008447500000000, -0.0003879900000000,  0.0087789700000000 ]  - [  -0.0000417700000000,  0.0000760000000000, -0.0054196900000000 ]  - [  -0.0003016400000000, -0.0003016400000000,  0.0081746500000000 ]  - [   0.0000938400000000,  0.0000938400000000, -0.0049989200000000 ]