# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5f331679-6cfb-4581-80ec-89c51ba4aee2/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 Na2AsAu / Cmcm (63) / materials id 7773](https://mdr.nims.go.jp/datasets/70a355d6-9f4d-4e4f-9a96-d569aad596a3)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.393351880000000,    -3.474357100000000,     0.000000000000000 ] # a  - [     4.393351880000000,     3.474357100000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.834523550000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.474374700000000,  0.164636780000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.525625300000000,  0.835363220000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.835363220000000,  0.525625300000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 4    coordinates: [  0.164636780000000,  0.474374700000000,  0.750000000000000 ]    mass: 22.989769  - symbol: As # 5    coordinates: [  0.709610060000000,  0.290389940000000,  0.750000000000000 ]    mass: 74.921600  - symbol: As # 6    coordinates: [  0.290389940000000,  0.709610060000000,  0.250000000000000 ]    mass: 74.921600  - symbol: Au # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 196.966569  - symbol: Au # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 196.966569  reciprocal_lattice: # without 2pi  - [     0.113808320766694,    -0.143911516752265,     0.000000000000000 ] # a*  - [     0.113808320766694,     0.143911516752265,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.171393600767967 ] # c*unit_cell:  lattice:  - [     8.786703760000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.948714200000000,    -0.000000000000000 ] # b  - [     0.000000000000000,    -0.000000000000000,     5.834523550000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.819505740000000,  0.345131040000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.180494260000000,  0.654868960000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.180494260000000,  0.345131040000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.819505740000000,  0.654868960000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.319505740000000,  0.845131040000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.680494260000000,  0.154868960000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 7    coordinates: [  0.680494260000000,  0.845131040000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 8    coordinates: [  0.319505740000000,  0.154868960000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: As # 9    coordinates: [  0.500000000000000,  0.790389940000000,  0.750000000000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 10    coordinates: [  0.500000000000000,  0.209610060000000,  0.250000000000000 ]    mass: 74.921600    reduced_to: 10  - symbol: As # 11    coordinates: [  0.000000000000000,  0.290389940000000,  0.750000000000000 ]    mass: 74.921600    reduced_to: 9  - symbol: As # 12    coordinates: [  0.000000000000000,  0.709610060000000,  0.250000000000000 ]    mass: 74.921600    reduced_to: 10  - symbol: Au # 13    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 13  - symbol: Au # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 14  - symbol: Au # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 13  - symbol: Au # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 14supercell:  lattice:  - [    17.573407520000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.897428400000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.669047100000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.409752870000000,  0.172565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.909752870000000,  0.172565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 3    coordinates: [  0.409752870000000,  0.672565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 4    coordinates: [  0.909752870000000,  0.672565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 5    coordinates: [  0.409752870000000,  0.172565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.909752870000000,  0.172565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 7    coordinates: [  0.409752870000000,  0.672565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.909752870000000,  0.672565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 9    coordinates: [  0.090247130000000,  0.327434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.590247130000000,  0.327434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 11    coordinates: [  0.090247130000000,  0.827434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 12    coordinates: [  0.590247130000000,  0.827434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 13    coordinates: [  0.090247130000000,  0.327434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 14    coordinates: [  0.590247130000000,  0.327434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 15    coordinates: [  0.090247130000000,  0.827434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 16    coordinates: [  0.590247130000000,  0.827434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 17    coordinates: [  0.090247130000000,  0.172565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 18    coordinates: [  0.590247130000000,  0.172565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 19    coordinates: [  0.090247130000000,  0.672565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 20    coordinates: [  0.590247130000000,  0.672565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 21    coordinates: [  0.090247130000000,  0.172565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 22    coordinates: [  0.590247130000000,  0.172565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 23    coordinates: [  0.090247130000000,  0.672565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 24    coordinates: [  0.590247130000000,  0.672565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 25    coordinates: [  0.409752870000000,  0.327434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.909752870000000,  0.327434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 27    coordinates: [  0.409752870000000,  0.827434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 28    coordinates: [  0.909752870000000,  0.827434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 29    coordinates: [  0.409752870000000,  0.327434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 30    coordinates: [  0.909752870000000,  0.327434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 31    coordinates: [  0.409752870000000,  0.827434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 32    coordinates: [  0.909752870000000,  0.827434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 33    coordinates: [  0.159752870000000,  0.422565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 34    coordinates: [  0.659752870000000,  0.422565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 35    coordinates: [  0.159752870000000,  0.922565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 36    coordinates: [  0.659752870000000,  0.922565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 37    coordinates: [  0.159752870000000,  0.422565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 38    coordinates: [  0.659752870000000,  0.422565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 39    coordinates: [  0.159752870000000,  0.922565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 40    coordinates: [  0.659752870000000,  0.922565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 41    coordinates: [  0.340247130000000,  0.077434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 42    coordinates: [  0.840247130000000,  0.077434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 43    coordinates: [  0.340247130000000,  0.577434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 44    coordinates: [  0.840247130000000,  0.577434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 45    coordinates: [  0.340247130000000,  0.077434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 46    coordinates: [  0.840247130000000,  0.077434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 47    coordinates: [  0.340247130000000,  0.577434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 48    coordinates: [  0.840247130000000,  0.577434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 49    coordinates: [  0.340247130000000,  0.422565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 50    coordinates: [  0.840247130000000,  0.422565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 51    coordinates: [  0.340247130000000,  0.922565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 52    coordinates: [  0.840247130000000,  0.922565520000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 53    coordinates: [  0.340247130000000,  0.422565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 54    coordinates: [  0.840247130000000,  0.422565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 55    coordinates: [  0.340247130000000,  0.922565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 56    coordinates: [  0.840247130000000,  0.922565520000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 17  - symbol: Na # 57    coordinates: [  0.159752870000000,  0.077434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 58    coordinates: [  0.659752870000000,  0.077434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 59    coordinates: [  0.159752870000000,  0.577434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 60    coordinates: [  0.659752870000000,  0.577434480000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 61    coordinates: [  0.159752870000000,  0.077434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 62    coordinates: [  0.659752870000000,  0.077434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 63    coordinates: [  0.159752870000000,  0.577434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 64    coordinates: [  0.659752870000000,  0.577434480000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: As # 65    coordinates: [  0.250000000000000,  0.395194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 66    coordinates: [  0.750000000000000,  0.395194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 67    coordinates: [  0.250000000000000,  0.895194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 68    coordinates: [  0.750000000000000,  0.895194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 69    coordinates: [  0.250000000000000,  0.395194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 70    coordinates: [  0.750000000000000,  0.395194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 71    coordinates: [  0.250000000000000,  0.895194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 72    coordinates: [  0.750000000000000,  0.895194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 73    coordinates: [  0.250000000000000,  0.104805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 74    coordinates: [  0.750000000000000,  0.104805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 75    coordinates: [  0.250000000000000,  0.604805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 76    coordinates: [  0.750000000000000,  0.604805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 77    coordinates: [  0.250000000000000,  0.104805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 78    coordinates: [  0.750000000000000,  0.104805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 79    coordinates: [  0.250000000000000,  0.604805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 80    coordinates: [  0.750000000000000,  0.604805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 81    coordinates: [  0.000000000000000,  0.145194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 82    coordinates: [  0.500000000000000,  0.145194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 83    coordinates: [  0.000000000000000,  0.645194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 84    coordinates: [  0.500000000000000,  0.645194970000000,  0.375000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 85    coordinates: [  0.000000000000000,  0.145194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 86    coordinates: [  0.500000000000000,  0.145194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 87    coordinates: [  0.000000000000000,  0.645194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 88    coordinates: [  0.500000000000000,  0.645194970000000,  0.875000000000000 ]    mass: 74.921600    reduced_to: 65  - symbol: As # 89    coordinates: [  0.000000000000000,  0.354805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 90    coordinates: [  0.500000000000000,  0.354805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 91    coordinates: [  0.000000000000000,  0.854805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 92    coordinates: [  0.500000000000000,  0.854805030000000,  0.125000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 93    coordinates: [  0.000000000000000,  0.354805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 94    coordinates: [  0.500000000000000,  0.354805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 95    coordinates: [  0.000000000000000,  0.854805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: As # 96    coordinates: [  0.500000000000000,  0.854805030000000,  0.625000000000000 ]    mass: 74.921600    reduced_to: 73  - symbol: Au # 97    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 98    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 99    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 100    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 101    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 102    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 103    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 104    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 109    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 110    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 111    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 113    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 114    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 115    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 116    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 117    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 118    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 119    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 120    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 196.966569    reduced_to: 97  - symbol: Au # 121    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 122    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 123    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 124    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 125    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 126    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 127    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105  - symbol: Au # 128    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 196.966569    reduced_to: 105born_effective_charge:- # 1 (Na)  - [  1.219977180000000,  0.070554870000000,  0.000000000000000 ]  - [ -0.226657440000000,  1.277305370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.680344000000000 ]- # 2 (Na)  - [  1.219977180000000,  0.070554870000000,  0.000000000000000 ]  - [ -0.226657440000000,  1.277305370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.680344000000000 ]- # 3 (Na)  - [  1.219977180000000, -0.070554870000000,  0.000000000000000 ]  - [  0.226657440000000,  1.277305370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.680344000000000 ]- # 4 (Na)  - [  1.219977180000000, -0.070554870000000,  0.000000000000000 ]  - [  0.226657440000000,  1.277305370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.680344000000000 ]- # 5 (As)  - [ -3.192280580000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.731451780000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -5.648130760000000 ]- # 6 (As)  - [ -3.192280580000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.731451780000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -5.648130760000000 ]- # 7 (Au)  - [  0.752326220000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.176841050000000,  0.617301970000000 ]  - [ -0.000000000000000,  7.388727840000001,  2.287442750000000 ]- # 8 (Au)  - [  0.752326220000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.176841050000000, -0.617301970000000 ]  - [  0.000000000000001, -7.388727840000003,  2.287442750000000 ]dielectric_constant:  - [ 81.373315529999999,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, 14.548710990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, 69.978763760000007 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0206092000000000, -0.0049728800000000, -0.0000000000000000 ]  - [   0.0038936900000000, -0.0000179800000000, -0.0000000000000000 ]  - [   0.0035841700000000, -0.0000325600000000, -0.0000000000000000 ]  - [   0.0038713900000000, -0.0000372600000000, -0.0000000000000000 ]  - [   0.0033914100000000,  0.0001224000000000, -0.0000000000000000 ]  - [   0.0038653900000000, -0.0000358700000000, -0.0000000000000000 ]  - [   0.0035269300000000, -0.0001248800000000, -0.0000000000000000 ]  - [   0.0038795700000000, -0.0000349600000000, -0.0000000000000000 ]  - [  -0.0034805600000000, -0.0000615800000000, -0.0001393000000000 ]  - [  -0.0036146600000000,  0.0000940900000000,  0.0000941100000000 ]  - [  -0.0037967500000000,  0.0000379000000000,  0.0000025700000000 ]  - [  -0.0035519200000000, -0.0000972500000000,  0.0000050800000000 ]  - [  -0.0034805600000000, -0.0000615800000000,  0.0001393000000000 ]  - [  -0.0036146600000000,  0.0000940900000000, -0.0000941100000000 ]  - [  -0.0037967500000000,  0.0000379000000000, -0.0000025700000000 ]  - [  -0.0035519200000000, -0.0000972500000000, -0.0000050800000000 ]  - [  -0.0033985300000000,  0.0000831800000000, -0.0000000000000000 ]  - [   0.0022953300000000, -0.0000339700000000, -0.0000000000000000 ]  - [  -0.0038094100000000, -0.0000314800000000, -0.0000000000000000 ]  - [  -0.0036489100000000, -0.0000361500000000, -0.0000000000000000 ]  - [  -0.0037365100000000, -0.0000052100000000, -0.0000000000000000 ]  - [  -0.0035337400000000,  0.0000957600000000, -0.0000000000000000 ]  - [  -0.0037816900000000, -0.0000331200000000, -0.0000000000000000 ]  - [  -0.0036279100000000, -0.0001261200000000, -0.0000000000000000 ]  - [   0.0031134000000000,  0.0000149200000000, -0.0000646700000000 ]  - [   0.0038695500000000,  0.0000227300000000, -0.0000055900000000 ]  - [   0.0034796000000000, -0.0000730600000000,  0.0000025800000000 ]  - [   0.0038775500000000,  0.0000413100000000, -0.0000087700000000 ]  - [   0.0031134000000000,  0.0000149200000000,  0.0000646700000000 ]  - [   0.0038695500000000,  0.0000227300000000,  0.0000055900000000 ]  - [   0.0034796000000000, -0.0000730600000000, -0.0000025800000000 ]  - [   0.0038775500000000,  0.0000413100000000,  0.0000087700000000 ]  - [   0.0039913800000000, -0.0003951700000000, -0.0000000000000000 ]  - [   0.0039534400000000, -0.0000367900000000, -0.0000000000000000 ]  - [   0.0039523000000000,  0.0002136400000000, -0.0000000000000000 ]  - [   0.0039920600000000, -0.0000829900000000, -0.0000000000000000 ]  - [   0.0039809200000000, -0.0000876200000000, -0.0000000000000000 ]  - [   0.0038558100000000, -0.0000582400000000, -0.0000000000000000 ]  - [   0.0038550800000000, -0.0000143300000000, -0.0000000000000000 ]  - [   0.0039815700000000, -0.0000506800000000, -0.0000000000000000 ]  - [  -0.0040651400000000,  0.0007746100000000, -0.0015099500000000 ]  - [  -0.0037221600000000,  0.0000516000000000,  0.0000153500000000 ]  - [  -0.0040514900000000, -0.0000859500000000,  0.0000548500000000 ]  - [  -0.0037399500000000,  0.0000286200000000, -0.0000083000000000 ]  - [  -0.0040651400000000,  0.0007746100000000,  0.0015099500000000 ]  - [  -0.0037221600000000,  0.0000516000000000, -0.0000153500000000 ]  - [  -0.0040514900000000, -0.0000859500000000, -0.0000548500000000 ]  - [  -0.0037399500000000,  0.0000286200000000,  0.0000083000000000 ]  - [  -0.0040796900000000, -0.0010872800000000, -0.0000000000000000 ]  - [  -0.0037262600000000, -0.0000425300000000, -0.0000000000000000 ]  - [  -0.0040806200000000,  0.0008851900000000, -0.0000000000000000 ]  - [  -0.0037261800000000, -0.0000437800000000, -0.0000000000000000 ]  - [  -0.0041025900000000, -0.0000996900000000, -0.0000000000000000 ]  - [  -0.0037392100000000, -0.0000509500000000, -0.0000000000000000 ]  - [  -0.0041026600000000, -0.0000366600000000, -0.0000000000000000 ]  - [  -0.0037390400000000, -0.0000234400000000, -0.0000000000000000 ]  - [   0.0040169800000000,  0.0002700000000000, -0.0002937600000000 ]  - [   0.0040175000000000,  0.0000757500000000,  0.0000328900000000 ]  - [   0.0038968800000000, -0.0000984000000000,  0.0000410500000000 ]  - [   0.0038971700000000,  0.0000388900000000,  0.0000100500000000 ]  - [   0.0040169800000000,  0.0002700000000000,  0.0002937600000000 ]  - [   0.0040175000000000,  0.0000757500000000, -0.0000328900000000 ]  - [   0.0038968800000000, -0.0000984000000000, -0.0000410500000000 ]  - [   0.0038971700000000,  0.0000388900000000, -0.0000100500000000 ]  - [   0.0002013400000000,  0.0210314100000000,  0.0003689500000000 ]  - [  -0.0001175600000000,  0.0205783300000000, -0.0000156500000000 ]  - [   0.0001592700000000,  0.0204147100000000,  0.0000981100000000 ]  - [  -0.0001692800000000,  0.0206188400000000,  0.0000000800000000 ]  - [   0.0002013400000000,  0.0210314100000000, -0.0003689500000000 ]  - [  -0.0001175600000000,  0.0205783300000000,  0.0000156500000000 ]  - [   0.0001592700000000,  0.0204147100000000, -0.0000981100000000 ]  - [  -0.0001692800000000,  0.0206188400000000, -0.0000000800000000 ]  - [   0.0098835700000000, -0.0154745300000000, -0.0000000000000000 ]  - [  -0.0002419500000000, -0.0206286400000000, -0.0000000000000000 ]  - [   0.0001184800000000, -0.0205215200000000, -0.0000000000000000 ]  - [  -0.0001254500000000, -0.0205718900000000, -0.0000000000000000 ]  - [   0.0001884700000000, -0.0208208100000000, -0.0000000000000000 ]  - [  -0.0001890900000000, -0.0206133700000000, -0.0000000000000000 ]  - [   0.0001092500000000, -0.0204360100000000, -0.0000000000000000 ]  - [  -0.0001145600000000, -0.0205433000000000, -0.0000000000000000 ]  - [  -0.0002509800000000,  0.0205052900000000,  0.0001305100000000 ]  - [   0.0009679600000000,  0.0210843300000000,  0.0006981600000000 ]  - [  -0.0000631200000000,  0.0206438000000000,  0.0000093400000000 ]  - [   0.0000475900000000,  0.0203580100000000, -0.0002457900000000 ]  - [  -0.0002509800000000,  0.0205052900000000, -0.0001305100000000 ]  - [   0.0009679600000000,  0.0210843300000000, -0.0006981600000000 ]  - [  -0.0000631200000000,  0.0206438000000000, -0.0000093400000000 ]  - [   0.0000475900000000,  0.0203580100000000,  0.0002457900000000 ]  - [  -0.0002489600000000, -0.0204312300000000, -0.0000000000000000 ]  - [   0.0027781200000000, -0.0166619100000000, -0.0000000000000000 ]  - [  -0.0000964200000000, -0.0206829600000000, -0.0000000000000000 ]  - [   0.0001087300000000, -0.0206700300000000, -0.0000000000000000 ]  - [  -0.0001543600000000, -0.0205481100000000, -0.0000000000000000 ]  - [   0.0001518900000000, -0.0206743300000000, -0.0000000000000000 ]  - [  -0.0000392900000000, -0.0206640100000000, -0.0000000000000000 ]  - [   0.0000660100000000, -0.0200592700000000, -0.0000000000000000 ]  - [   0.0007737300000000, -0.0017423000000000, -0.0018267700000000 ]  - [  -0.0000757000000000,  0.0000259900000000,  0.0000244600000000 ]  - [   0.0000437000000000,  0.0000029400000000,  0.0000130300000000 ]  - [  -0.0000528100000000, -0.0000135400000000, -0.0000102300000000 ]  - [   0.0000995100000000,  0.0001873600000000,  0.0001511600000000 ]  - [  -0.0000511400000000,  0.0000037900000000, -0.0000028800000000 ]  - [   0.0000403100000000,  0.0000060000000000,  0.0000067900000000 ]  - [  -0.0000536300000000, -0.0000131700000000, -0.0000105100000000 ]  - [   0.0007737300000000, -0.0017423000000000,  0.0018267700000000 ]  - [  -0.0000757000000000,  0.0000259900000000, -0.0000244600000000 ]  - [   0.0000437000000000,  0.0000029400000000, -0.0000130300000000 ]  - [  -0.0000528100000000, -0.0000135400000000,  0.0000102300000000 ]  - [   0.0000995100000000,  0.0001873600000000, -0.0001511600000000 ]  - [  -0.0000511400000000,  0.0000037900000000,  0.0000028800000000 ]  - [   0.0000403100000000,  0.0000060000000000, -0.0000067900000000 ]  - [  -0.0000536300000000, -0.0000131700000000,  0.0000105100000000 ]  - [  -0.0000681100000000, -0.0000057700000000,  0.0000249900000000 ]  - [   0.0010559600000000, -0.0012801700000000,  0.0004602400000000 ]  - [  -0.0000580600000000, -0.0000370800000000, -0.0000418800000000 ]  - [   0.0001473900000000,  0.0001285000000000,  0.0002947400000000 ]  - [  -0.0000646500000000,  0.0000564800000000,  0.0000316600000000 ]  - [   0.0000352400000000, -0.0004254500000000, -0.0000315400000000 ]  - [  -0.0000477800000000,  0.0000002200000000, -0.0000211000000000 ]  - [   0.0000434900000000, -0.0000455200000000, -0.0000315900000000 ]  - [  -0.0000681100000000, -0.0000057700000000, -0.0000249900000000 ]  - [   0.0010559600000000, -0.0012801700000000, -0.0004602400000000 ]  - [  -0.0000580600000000, -0.0000370800000000,  0.0000418800000000 ]  - [   0.0001473900000000,  0.0001285000000000, -0.0002947400000000 ]  - [  -0.0000646500000000,  0.0000564800000000, -0.0000316600000000 ]  - [   0.0000352400000000, -0.0004254500000000,  0.0000315400000000 ]  - [  -0.0000477800000000,  0.0000002200000000,  0.0000211000000000 ]  - [   0.0000434900000000, -0.0000455200000000,  0.0000315900000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0286456700000000,  0.0049897000000000, -0.0000000000000000 ]  - [   0.0037156300000000, -0.0000516900000000, -0.0000000000000000 ]  - [   0.0040217700000000, -0.0000371800000000, -0.0000000000000000 ]  - [   0.0037344700000000, -0.0000320200000000, -0.0000000000000000 ]  - [   0.0042153600000000, -0.0001923100000000, -0.0000000000000000 ]  - [   0.0037399000000000, -0.0000341500000000, -0.0000000000000000 ]  - [   0.0040790500000000,  0.0000552200000000, -0.0000000000000000 ]  - [   0.0037264700000000, -0.0000344600000000, -0.0000000000000000 ]  - [  -0.0041294900000000,  0.0001323200000000,  0.0001398100000000 ]  - [  -0.0039929400000000, -0.0000231100000000, -0.0000936300000000 ]  - [  -0.0038115100000000,  0.0000327300000000, -0.0000028500000000 ]  - [  -0.0040558200000000,  0.0001682100000000, -0.0000053500000000 ]  - [  -0.0041294900000000,  0.0001323200000000, -0.0001398100000000 ]  - [  -0.0039929400000000, -0.0000231100000000,  0.0000936300000000 ]  - [  -0.0038115100000000,  0.0000327300000000,  0.0000028500000000 ]  - [  -0.0040558200000000,  0.0001682100000000,  0.0000053500000000 ]  - [  -0.0042080700000000, -0.0001571300000000, -0.0000000000000000 ]  - [  -0.0098016300000000, -0.0000367300000000, -0.0000000000000000 ]  - [  -0.0037987800000000, -0.0000376800000000, -0.0000000000000000 ]  - [  -0.0039590800000000, -0.0000339000000000, -0.0000000000000000 ]  - [  -0.0038719400000000, -0.0000645600000000, -0.0000000000000000 ]  - [  -0.0040741300000000, -0.0001662000000000, -0.0000000000000000 ]  - [  -0.0038264900000000, -0.0000363600000000, -0.0000000000000000 ]  - [  -0.0039804400000000,  0.0000563700000000, -0.0000000000000000 ]  - [   0.0044933600000000,  0.0000501600000000,  0.0000570700000000 ]  - [   0.0037360600000000,  0.0000476000000000,  0.0000055900000000 ]  - [   0.0041263200000000,  0.0001431900000000, -0.0000021200000000 ]  - [   0.0037280200000000,  0.0000294700000000,  0.0000085100000000 ]  - [   0.0044933600000000,  0.0000501600000000, -0.0000570700000000 ]  - [   0.0037360600000000,  0.0000476000000000, -0.0000055900000000 ]  - [   0.0041263200000000,  0.0001431900000000,  0.0000021200000000 ]  - [   0.0037280200000000,  0.0000294700000000, -0.0000085100000000 ]  - [   0.0036130400000000,  0.0003271900000000, -0.0000000000000000 ]  - [   0.0036524000000000, -0.0000319700000000, -0.0000000000000000 ]  - [   0.0036517200000000, -0.0002792800000000, -0.0000000000000000 ]  - [   0.0036130000000000,  0.0000130800000000, -0.0000000000000000 ]  - [   0.0036238500000000,  0.0000185200000000, -0.0000000000000000 ]  - [   0.0037501500000000, -0.0000117000000000, -0.0000000000000000 ]  - [   0.0037499800000000, -0.0000555000000000, -0.0000000000000000 ]  - [   0.0036239100000000, -0.0000184300000000, -0.0000000000000000 ]  - [  -0.0035355700000000, -0.0007045800000000,  0.0015105000000000 ]  - [  -0.0038858000000000,  0.0000186200000000, -0.0000148600000000 ]  - [  -0.0035554900000000,  0.0001570300000000, -0.0000548200000000 ]  - [  -0.0038682100000000,  0.0000415600000000,  0.0000080000000000 ]  - [  -0.0035355700000000, -0.0007045800000000, -0.0015105000000000 ]  - [  -0.0038858000000000,  0.0000186200000000,  0.0000148600000000 ]  - [  -0.0035554900000000,  0.0001570300000000,  0.0000548200000000 ]  - [  -0.0038682100000000,  0.0000415600000000, -0.0000080000000000 ]  - [  -0.0035229900000000,  0.0010165400000000, -0.0000000000000000 ]  - [  -0.0038815700000000, -0.0000269500000000, -0.0000000000000000 ]  - [  -0.0035240100000000, -0.0009536400000000, -0.0000000000000000 ]  - [  -0.0038810500000000, -0.0000264300000000, -0.0000000000000000 ]  - [  -0.0035042000000000,  0.0000304900000000, -0.0000000000000000 ]  - [  -0.0038688600000000, -0.0000188100000000, -0.0000000000000000 ]  - [  -0.0035044100000000, -0.0000332100000000, -0.0000000000000000 ]  - [  -0.0038686900000000, -0.0000460900000000, -0.0000000000000000 ]  - [   0.0035877100000000, -0.0002012000000000,  0.0002914400000000 ]  - [   0.0035877800000000, -0.0000057900000000, -0.0000318800000000 ]  - [   0.0037082400000000,  0.0001693900000000, -0.0000410500000000 ]  - [   0.0037086200000000,  0.0000311600000000, -0.0000105700000000 ]  - [   0.0035877100000000, -0.0002012000000000, -0.0002914400000000 ]  - [   0.0035877800000000, -0.0000057900000000,  0.0000318800000000 ]  - [   0.0037082400000000,  0.0001693900000000,  0.0000410500000000 ]  - [   0.0037086200000000,  0.0000311600000000,  0.0000105700000000 ]  - [  -0.0002032000000000,  0.0201331100000000, -0.0003702600000000 ]  - [   0.0001167300000000,  0.0205891800000000,  0.0000159800000000 ]  - [  -0.0001604000000000,  0.0207578600000000, -0.0000979500000000 ]  - [   0.0001684800000000,  0.0205519600000000, -0.0000000100000000 ]  - [  -0.0002032000000000,  0.0201331100000000,  0.0003702600000000 ]  - [   0.0001167300000000,  0.0205891800000000, -0.0000159800000000 ]  - [  -0.0001604000000000,  0.0207578600000000,  0.0000979500000000 ]  - [   0.0001684800000000,  0.0205519600000000,  0.0000000100000000 ]  - [  -0.0102609700000000, -0.0258491200000000, -0.0000000000000000 ]  - [   0.0002392500000000, -0.0205357200000000, -0.0000000000000000 ]  - [  -0.0001192800000000, -0.0206590700000000, -0.0000000000000000 ]  - [   0.0001250200000000, -0.0206008200000000, -0.0000000000000000 ]  - [  -0.0001889800000000, -0.0203487200000000, -0.0000000000000000 ]  - [   0.0001888100000000, -0.0205553200000000, -0.0000000000000000 ]  - [  -0.0001109400000000, -0.0207413100000000, -0.0000000000000000 ]  - [   0.0001134900000000, -0.0206183800000000, -0.0000000000000000 ]  - [   0.0002500600000000,  0.0206779900000000, -0.0001293900000000 ]  - [  -0.0009607300000000,  0.0200771600000000, -0.0006761900000000 ]  - [   0.0000623100000000,  0.0205322200000000, -0.0000097600000000 ]  - [  -0.0000509200000000,  0.0208055800000000,  0.0002466300000000 ]  - [   0.0002500600000000,  0.0206779900000000,  0.0001293900000000 ]  - [  -0.0009607300000000,  0.0200771600000000,  0.0006761900000000 ]  - [   0.0000623100000000,  0.0205322200000000,  0.0000097600000000 ]  - [  -0.0000509200000000,  0.0208055800000000, -0.0002466300000000 ]  - [   0.0002488400000000, -0.0207473700000000, -0.0000000000000000 ]  - [  -0.0027632900000000, -0.0244192000000000, -0.0000000000000000 ]  - [   0.0000945000000000, -0.0205128000000000, -0.0000000000000000 ]  - [  -0.0001104700000000, -0.0204996800000000, -0.0000000000000000 ]  - [   0.0001538900000000, -0.0206228000000000, -0.0000000000000000 ]  - [  -0.0001540500000000, -0.0204927800000000, -0.0000000000000000 ]  - [   0.0000382800000000, -0.0205237800000000, -0.0000000000000000 ]  - [  -0.0000693000000000, -0.0211107900000000, -0.0000000000000000 ]  - [  -0.0008270500000000,  0.0017689900000000,  0.0018625700000000 ]  - [   0.0000739400000000, -0.0000262100000000, -0.0000246800000000 ]  - [  -0.0000449600000000, -0.0000015000000000, -0.0000118100000000 ]  - [   0.0000520200000000,  0.0000122900000000,  0.0000092200000000 ]  - [  -0.0001006100000000, -0.0001878500000000, -0.0001521900000000 ]  - [   0.0000504000000000, -0.0000031500000000,  0.0000027400000000 ]  - [  -0.0000411100000000, -0.0000044200000000, -0.0000060400000000 ]  - [   0.0000528900000000,  0.0000114600000000,  0.0000091000000000 ]  - [  -0.0008270500000000,  0.0017689900000000, -0.0018625700000000 ]  - [   0.0000739400000000, -0.0000262100000000,  0.0000246800000000 ]  - [  -0.0000449600000000, -0.0000015000000000,  0.0000118100000000 ]  - [   0.0000520200000000,  0.0000122900000000, -0.0000092200000000 ]  - [  -0.0001006100000000, -0.0001878500000000,  0.0001521900000000 ]  - [   0.0000504000000000, -0.0000031500000000, -0.0000027400000000 ]  - [  -0.0000411100000000, -0.0000044200000000,  0.0000060400000000 ]  - [   0.0000528900000000,  0.0000114600000000, -0.0000091000000000 ]  - [   0.0000659600000000,  0.0000060100000000, -0.0000245500000000 ]  - [  -0.0010463800000000,  0.0012550500000000, -0.0004470000000000 ]  - [   0.0000572500000000,  0.0000388000000000,  0.0000427700000000 ]  - [  -0.0001417900000000, -0.0001284200000000, -0.0002975000000000 ]  - [   0.0000639500000000, -0.0000550500000000, -0.0000309100000000 ]  - [  -0.0000326400000000,  0.0004267000000000,  0.0000316600000000 ]  - [   0.0000471700000000,  0.0000010900000000,  0.0000216200000000 ]  - [  -0.0000450600000000,  0.0000478400000000,  0.0000331600000000 ]  - [   0.0000659600000000,  0.0000060100000000,  0.0000245500000000 ]  - [  -0.0010463800000000,  0.0012550500000000,  0.0004470000000000 ]  - [   0.0000572500000000,  0.0000388000000000, -0.0000427700000000 ]  - [  -0.0001417900000000, -0.0001284200000000,  0.0002975000000000 ]  - [   0.0000639500000000, -0.0000550500000000,  0.0000309100000000 ]  - [  -0.0000326400000000,  0.0004267000000000, -0.0000316600000000 ]  - [   0.0000471700000000,  0.0000010900000000, -0.0000216200000000 ]  - [  -0.0000450600000000,  0.0000478400000000, -0.0000331600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012626100000000, -0.0175700000000000,  0.0000000000000000 ]  - [   0.0038211200000000, -0.0000571400000000,  0.0000000000000000 ]  - [   0.0038060400000000,  0.0002867400000000,  0.0000000000000000 ]  - [   0.0038012300000000, -0.0000267300000000,  0.0000000000000000 ]  - [   0.0039621100000000, -0.0001259900000000,  0.0000000000000000 ]  - [   0.0038033100000000, -0.0000753600000000,  0.0000000000000000 ]  - [   0.0037145300000000,  0.0000039000000000,  0.0000000000000000 ]  - [   0.0038041300000000, -0.0000155300000000,  0.0000000000000000 ]  - [  -0.0039017000000000,  0.0000239100000000,  0.0000023400000000 ]  - [  -0.0037458800000000, -0.0002076700000000,  0.0002761100000000 ]  - [  -0.0038021200000000,  0.0000584700000000,  0.0000079800000000 ]  - [  -0.0039367800000000,  0.0003615000000000, -0.0002281800000000 ]  - [  -0.0039017000000000,  0.0000239100000000, -0.0000023400000000 ]  - [  -0.0037458800000000, -0.0002076700000000, -0.0002761100000000 ]  - [  -0.0038021200000000,  0.0000584700000000, -0.0000079800000000 ]  - [  -0.0039367800000000,  0.0003615000000000,  0.0002281800000000 ]  - [  -0.0039240700000000, -0.0000791400000000,  0.0000000000000000 ]  - [  -0.0038165700000000, -0.0011297300000000,  0.0000000000000000 ]  - [  -0.0038072600000000, -0.0000228900000000,  0.0000000000000000 ]  - [  -0.0038024500000000,  0.0003441700000000,  0.0000000000000000 ]  - [  -0.0038340100000000, -0.0000735600000000,  0.0000000000000000 ]  - [  -0.0039355600000000, -0.0000944800000000,  0.0000000000000000 ]  - [  -0.0038059900000000, -0.0000147200000000,  0.0000000000000000 ]  - [  -0.0037135200000000,  0.0000152600000000,  0.0000000000000000 ]  - [   0.0038225100000000,  0.0005830500000000,  0.0015507100000000 ]  - [   0.0038168700000000,  0.0000160300000000, -0.0000102800000000 ]  - [   0.0039123100000000,  0.0002718900000000, -0.0001682200000000 ]  - [   0.0037985400000000,  0.0000609500000000,  0.0000059000000000 ]  - [   0.0038225100000000,  0.0005830500000000, -0.0015507100000000 ]  - [   0.0038168700000000,  0.0000160300000000,  0.0000102800000000 ]  - [   0.0039123100000000,  0.0002718900000000,  0.0001682200000000 ]  - [   0.0037985400000000,  0.0000609500000000, -0.0000059000000000 ]  - [   0.0037560000000000,  0.0000003400000000,  0.0000000000000000 ]  - [   0.0040504700000000, -0.0000262800000000,  0.0000000000000000 ]  - [   0.0038006700000000, -0.0000262200000000,  0.0000000000000000 ]  - [   0.0034437600000000,  0.0000005200000000,  0.0000000000000000 ]  - [   0.0037877000000000, -0.0000121200000000,  0.0000000000000000 ]  - [   0.0038244200000000, -0.0000481000000000,  0.0000000000000000 ]  - [   0.0037802600000000, -0.0000477300000000,  0.0000000000000000 ]  - [   0.0037504400000000, -0.0000116000000000,  0.0000000000000000 ]  - [  -0.0030648400000000,  0.0001702500000000, -0.0014742600000000 ]  - [  -0.0037877300000000,  0.0000149600000000,  0.0000118300000000 ]  - [  -0.0039252400000000,  0.0000936100000000,  0.0000575400000000 ]  - [  -0.0038101900000000,  0.0000524500000000, -0.0000040800000000 ]  - [  -0.0030648400000000,  0.0001702500000000,  0.0014742600000000 ]  - [  -0.0037877300000000,  0.0000149600000000, -0.0000118300000000 ]  - [  -0.0039252400000000,  0.0000936100000000, -0.0000575400000000 ]  - [  -0.0038101900000000,  0.0000524500000000,  0.0000040800000000 ]  - [  -0.0047310600000000,  0.0019409700000000,  0.0000000000000000 ]  - [  -0.0037954900000000, -0.0000304200000000,  0.0000000000000000 ]  - [  -0.0027608800000000,  0.0019050100000000,  0.0000000000000000 ]  - [  -0.0037958000000000, -0.0000304000000000,  0.0000000000000000 ]  - [  -0.0038021800000000, -0.0000188500000000,  0.0000000000000000 ]  - [  -0.0038154900000000, -0.0000272500000000,  0.0000000000000000 ]  - [  -0.0037385400000000, -0.0000185100000000,  0.0000000000000000 ]  - [  -0.0037875600000000, -0.0000264800000000,  0.0000000000000000 ]  - [   0.0037632600000000, -0.0000156400000000, -0.0000268400000000 ]  - [   0.0035685100000000, -0.0000153700000000, -0.0000638200000000 ]  - [   0.0037995900000000,  0.0000872800000000, -0.0000068900000000 ]  - [   0.0039375400000000,  0.0000868400000000,  0.0000611800000000 ]  - [   0.0037632600000000, -0.0000156400000000,  0.0000268400000000 ]  - [   0.0035685100000000, -0.0000153700000000,  0.0000638200000000 ]  - [   0.0037995900000000,  0.0000872800000000,  0.0000068900000000 ]  - [   0.0039375400000000,  0.0000868400000000, -0.0000611800000000 ]  - [   0.0002469700000000,  0.0207665400000000, -0.0000454300000000 ]  - [  -0.0001148400000000,  0.0206767800000000, -0.0001099500000000 ]  - [  -0.0000981400000000,  0.0204627400000000,  0.0000646500000000 ]  - [   0.0001159900000000,  0.0204951700000000,  0.0000381300000000 ]  - [   0.0002469700000000,  0.0207665400000000,  0.0000454300000000 ]  - [  -0.0001148400000000,  0.0206767800000000,  0.0001099500000000 ]  - [  -0.0000981400000000,  0.0204627400000000, -0.0000646500000000 ]  - [   0.0001159900000000,  0.0204951700000000, -0.0000381300000000 ]  - [   0.0027082000000000, -0.0187541700000000,  0.0000000000000000 ]  - [   0.0000913600000000, -0.0204619900000000,  0.0000000000000000 ]  - [   0.0000823300000000, -0.0207543600000000,  0.0000000000000000 ]  - [  -0.0000844700000000, -0.0207611600000000,  0.0000000000000000 ]  - [  -0.0000850200000000, -0.0204405000000000,  0.0000000000000000 ]  - [   0.0001079000000000, -0.0204930000000000,  0.0000000000000000 ]  - [   0.0000473100000000, -0.0206983000000000,  0.0000000000000000 ]  - [  -0.0000518800000000, -0.0206610200000000,  0.0000000000000000 ]  - [  -0.0000161200000000,  0.0206098100000000,  0.0000369800000000 ]  - [   0.0001247300000000,  0.0211485000000000, -0.0001506200000000 ]  - [   0.0000027000000000,  0.0205431800000000,  0.0000074900000000 ]  - [   0.0000520700000000,  0.0199917500000000, -0.0003628000000000 ]  - [  -0.0000161200000000,  0.0206098100000000, -0.0000369800000000 ]  - [   0.0001247300000000,  0.0211485000000000,  0.0001506200000000 ]  - [   0.0000027000000000,  0.0205431800000000, -0.0000074900000000 ]  - [   0.0000520700000000,  0.0199917500000000,  0.0003628000000000 ]  - [   0.0000097600000000, -0.0205404000000000,  0.0000000000000000 ]  - [   0.0035584000000000, -0.0149557100000000,  0.0000000000000000 ]  - [   0.0000021900000000, -0.0205935800000000,  0.0000000000000000 ]  - [   0.0000115900000000, -0.0205229900000000,  0.0000000000000000 ]  - [   0.0000300200000000, -0.0205769900000000,  0.0000000000000000 ]  - [  -0.0000213000000000, -0.0202693800000000,  0.0000000000000000 ]  - [   0.0000067400000000, -0.0205980700000000,  0.0000000000000000 ]  - [   0.0000529800000000, -0.0207596500000000,  0.0000000000000000 ]  - [  -0.0001639000000000, -0.0000240300000000,  0.0000831500000000 ]  - [  -0.0000228100000000,  0.0000065800000000, -0.0000417700000000 ]  - [  -0.0000103300000000,  0.0000242900000000,  0.0000556800000000 ]  - [  -0.0000008100000000,  0.0000337500000000,  0.0000537100000000 ]  - [  -0.0000389100000000, -0.0000699300000000, -0.0001333200000000 ]  - [   0.0000034800000000, -0.0000469700000000, -0.0000442300000000 ]  - [  -0.0000249400000000,  0.0000368900000000,  0.0000437300000000 ]  - [   0.0000123000000000,  0.0000294600000000,  0.0000362400000000 ]  - [  -0.0001639000000000, -0.0000240300000000, -0.0000831500000000 ]  - [  -0.0000228100000000,  0.0000065800000000,  0.0000417700000000 ]  - [  -0.0000103300000000,  0.0000242900000000, -0.0000556800000000 ]  - [  -0.0000008100000000,  0.0000337500000000, -0.0000537100000000 ]  - [  -0.0000389100000000, -0.0000699300000000,  0.0001333200000000 ]  - [   0.0000034800000000, -0.0000469700000000,  0.0000442300000000 ]  - [  -0.0000249400000000,  0.0000368900000000, -0.0000437300000000 ]  - [   0.0000123000000000,  0.0000294600000000, -0.0000362400000000 ]  - [  -0.0000085300000000, -0.0000146100000000,  0.0000003200000000 ]  - [  -0.0007346100000000,  0.0014527900000000, -0.0010849500000000 ]  - [   0.0000034700000000, -0.0000047800000000, -0.0000066700000000 ]  - [  -0.0001873600000000,  0.0006945300000000,  0.0003973800000000 ]  - [  -0.0000051100000000,  0.0000105500000000, -0.0000047600000000 ]  - [  -0.0002034300000000,  0.0001352100000000,  0.0002311900000000 ]  - [   0.0000162600000000,  0.0000052600000000,  0.0000133400000000 ]  - [  -0.0000143500000000, -0.0001291700000000, -0.0000215000000000 ]  - [  -0.0000085300000000, -0.0000146100000000, -0.0000003200000000 ]  - [  -0.0007346100000000,  0.0014527900000000,  0.0010849500000000 ]  - [   0.0000034700000000, -0.0000047800000000,  0.0000066700000000 ]  - [  -0.0001873600000000,  0.0006945300000000, -0.0003973800000000 ]  - [  -0.0000051100000000,  0.0000105500000000,  0.0000047600000000 ]  - [  -0.0002034300000000,  0.0001352100000000, -0.0002311900000000 ]  - [   0.0000162600000000,  0.0000052600000000, -0.0000133400000000 ]  - [  -0.0000143500000000, -0.0001291700000000,  0.0000215000000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0086962300000000,  0.0173011900000000,  0.0000000000000000 ]  - [   0.0037866700000000, -0.0000146800000000,  0.0000000000000000 ]  - [   0.0038014500000000, -0.0003601100000000,  0.0000000000000000 ]  - [   0.0038063700000000, -0.0000449100000000,  0.0000000000000000 ]  - [   0.0036466800000000,  0.0000538500000000,  0.0000000000000000 ]  - [   0.0038039900000000,  0.0000028100000000,  0.0000000000000000 ]  - [   0.0038944400000000, -0.0000749100000000,  0.0000000000000000 ]  - [   0.0038043000000000, -0.0000560700000000,  0.0000000000000000 ]  - [  -0.0037064100000000,  0.0000486700000000, -0.0000031500000000 ]  - [  -0.0038620100000000,  0.0002801100000000, -0.0002749100000000 ]  - [  -0.0038056100000000,  0.0000138700000000, -0.0000080700000000 ]  - [  -0.0036704000000000, -0.0002899700000000,  0.0002298800000000 ]  - [  -0.0037064100000000,  0.0000486700000000,  0.0000031500000000 ]  - [  -0.0038620100000000,  0.0002801100000000,  0.0002749100000000 ]  - [  -0.0038056100000000,  0.0000138700000000,  0.0000080700000000 ]  - [  -0.0036704000000000, -0.0002899700000000, -0.0002298800000000 ]  - [  -0.0036828300000000,  0.0000062900000000,  0.0000000000000000 ]  - [  -0.0038127800000000,  0.0010582600000000,  0.0000000000000000 ]  - [  -0.0038008900000000, -0.0000488200000000,  0.0000000000000000 ]  - [  -0.0038050200000000, -0.0004171600000000,  0.0000000000000000 ]  - [  -0.0037738200000000,  0.0000010300000000,  0.0000000000000000 ]  - [  -0.0036726900000000,  0.0000220700000000,  0.0000000000000000 ]  - [  -0.0038023100000000, -0.0000569300000000,  0.0000000000000000 ]  - [  -0.0038958400000000, -0.0000860700000000,  0.0000000000000000 ]  - [   0.0037860200000000, -0.0005080300000000, -0.0015359300000000 ]  - [   0.0037910100000000,  0.0000566400000000,  0.0000099700000000 ]  - [   0.0036949500000000, -0.0001997100000000,  0.0001696900000000 ]  - [   0.0038090300000000,  0.0000114600000000, -0.0000059800000000 ]  - [   0.0037860200000000, -0.0005080300000000,  0.0015359300000000 ]  - [   0.0037910100000000,  0.0000566400000000, -0.0000099700000000 ]  - [   0.0036949500000000, -0.0001997100000000, -0.0001696900000000 ]  - [   0.0038090300000000,  0.0000114600000000,  0.0000059800000000 ]  - [   0.0038510900000000, -0.0000727200000000,  0.0000000000000000 ]  - [   0.0035569000000000, -0.0000445500000000,  0.0000000000000000 ]  - [   0.0038059100000000, -0.0000437300000000,  0.0000000000000000 ]  - [   0.0041658100000000, -0.0000718400000000,  0.0000000000000000 ]  - [   0.0038194300000000, -0.0000595100000000,  0.0000000000000000 ]  - [   0.0037828400000000, -0.0000243900000000,  0.0000000000000000 ]  - [   0.0038267700000000, -0.0000237500000000,  0.0000000000000000 ]  - [   0.0038562500000000, -0.0000591300000000,  0.0000000000000000 ]  - [  -0.0045436500000000, -0.0000898800000000,  0.0014776300000000 ]  - [  -0.0038196500000000,  0.0000578300000000, -0.0000116200000000 ]  - [  -0.0036819400000000, -0.0000205800000000, -0.0000574600000000 ]  - [  -0.0037966500000000,  0.0000205000000000,  0.0000038500000000 ]  - [  -0.0045436500000000, -0.0000898800000000, -0.0014776300000000 ]  - [  -0.0038196500000000,  0.0000578300000000,  0.0000116200000000 ]  - [  -0.0036819400000000, -0.0000205800000000,  0.0000574600000000 ]  - [  -0.0037966500000000,  0.0000205000000000, -0.0000038500000000 ]  - [  -0.0028910500000000, -0.0019767100000000,  0.0000000000000000 ]  - [  -0.0038118400000000, -0.0000415100000000,  0.0000000000000000 ]  - [  -0.0048645100000000, -0.0020124100000000,  0.0000000000000000 ]  - [  -0.0038112600000000, -0.0000411600000000,  0.0000000000000000 ]  - [  -0.0038049000000000, -0.0000532300000000,  0.0000000000000000 ]  - [  -0.0037921300000000, -0.0000451800000000,  0.0000000000000000 ]  - [  -0.0038682500000000, -0.0000528700000000,  0.0000000000000000 ]  - [  -0.0038195300000000, -0.0000447300000000,  0.0000000000000000 ]  - [   0.0038436500000000,  0.0000883800000000,  0.0000256300000000 ]  - [   0.0040397000000000,  0.0000884600000000,  0.0000650400000000 ]  - [   0.0038068900000000, -0.0000142000000000,  0.0000068800000000 ]  - [   0.0036697300000000, -0.0000144200000000, -0.0000617000000000 ]  - [   0.0038436500000000,  0.0000883800000000, -0.0000256300000000 ]  - [   0.0040397000000000,  0.0000884600000000, -0.0000650400000000 ]  - [   0.0038068900000000, -0.0000142000000000, -0.0000068800000000 ]  - [   0.0036697300000000, -0.0000144200000000,  0.0000617000000000 ]  - [  -0.0002452200000000,  0.0203996200000000,  0.0000445200000000 ]  - [   0.0001142600000000,  0.0204854000000000,  0.0001092900000000 ]  - [   0.0000988100000000,  0.0207139800000000, -0.0000651300000000 ]  - [  -0.0001166300000000,  0.0206741600000000, -0.0000390100000000 ]  - [  -0.0002452200000000,  0.0203996200000000, -0.0000445200000000 ]  - [   0.0001142600000000,  0.0204854000000000, -0.0001092900000000 ]  - [   0.0000988100000000,  0.0207139800000000,  0.0000651300000000 ]  - [  -0.0001166300000000,  0.0206741600000000,  0.0000390100000000 ]  - [  -0.0027294000000000, -0.0223991800000000,  0.0000000000000000 ]  - [  -0.0000915200000000, -0.0207062700000000,  0.0000000000000000 ]  - [  -0.0000823000000000, -0.0204192900000000,  0.0000000000000000 ]  - [   0.0000843100000000, -0.0204032500000000,  0.0000000000000000 ]  - [   0.0000842400000000, -0.0207302100000000,  0.0000000000000000 ]  - [  -0.0001072700000000, -0.0206757700000000,  0.0000000000000000 ]  - [  -0.0000482400000000, -0.0204735200000000,  0.0000000000000000 ]  - [   0.0000517900000000, -0.0205038000000000,  0.0000000000000000 ]  - [   0.0000157400000000,  0.0205599100000000, -0.0000362700000000 ]  - [  -0.0001238100000000,  0.0200143000000000,  0.0001505400000000 ]  - [  -0.0000026600000000,  0.0206235700000000, -0.0000082900000000 ]  - [  -0.0000541500000000,  0.0211705700000000,  0.0003637900000000 ]  - [   0.0000157400000000,  0.0205599100000000,  0.0000362700000000 ]  - [  -0.0001238100000000,  0.0200143000000000, -0.0001505400000000 ]  - [  -0.0000026600000000,  0.0206235700000000,  0.0000082900000000 ]  - [  -0.0000541500000000,  0.0211705700000000, -0.0003637900000000 ]  - [  -0.0000100500000000, -0.0206242600000000,  0.0000000000000000 ]  - [  -0.0034104200000000, -0.0259898600000000,  0.0000000000000000 ]  - [  -0.0000021800000000, -0.0205761400000000,  0.0000000000000000 ]  - [  -0.0000141300000000, -0.0206450100000000,  0.0000000000000000 ]  - [  -0.0000297400000000, -0.0205945100000000,  0.0000000000000000 ]  - [   0.0000208800000000, -0.0208879900000000,  0.0000000000000000 ]  - [  -0.0000064300000000, -0.0205737600000000,  0.0000000000000000 ]  - [  -0.0000539500000000, -0.0204148000000000,  0.0000000000000000 ]  - [   0.0001631400000000,  0.0000234300000000, -0.0000849700000000 ]  - [   0.0000227500000000, -0.0000032500000000,  0.0000436500000000 ]  - [   0.0000103300000000, -0.0000249100000000, -0.0000564500000000 ]  - [   0.0000009300000000, -0.0000324300000000, -0.0000535400000000 ]  - [   0.0000387700000000,  0.0000713500000000,  0.0001338600000000 ]  - [  -0.0000030500000000,  0.0000498000000000,  0.0000457800000000 ]  - [   0.0000249700000000, -0.0000365900000000, -0.0000434400000000 ]  - [  -0.0000119300000000, -0.0000284300000000, -0.0000356800000000 ]  - [   0.0001631400000000,  0.0000234300000000,  0.0000849700000000 ]  - [   0.0000227500000000, -0.0000032500000000, -0.0000436500000000 ]  - [   0.0000103300000000, -0.0000249100000000,  0.0000564500000000 ]  - [   0.0000009300000000, -0.0000324300000000,  0.0000535400000000 ]  - [   0.0000387700000000,  0.0000713500000000, -0.0001338600000000 ]  - [  -0.0000030500000000,  0.0000498000000000, -0.0000457800000000 ]  - [   0.0000249700000000, -0.0000365900000000,  0.0000434400000000 ]  - [  -0.0000119300000000, -0.0000284300000000,  0.0000356800000000 ]  - [   0.0000080200000000,  0.0000144800000000, -0.0000004700000000 ]  - [   0.0007783500000000, -0.0015052500000000,  0.0011326200000000 ]  - [  -0.0000035000000000,  0.0000053300000000,  0.0000063000000000 ]  - [   0.0001960300000000, -0.0006867200000000, -0.0004015800000000 ]  - [   0.0000048700000000, -0.0000093700000000,  0.0000055200000000 ]  - [   0.0002054300000000, -0.0001326900000000, -0.0002330500000000 ]  - [  -0.0000161500000000, -0.0000054500000000, -0.0000144100000000 ]  - [   0.0000145100000000,  0.0001296400000000,  0.0000219600000000 ]  - [   0.0000080200000000,  0.0000144800000000,  0.0000004700000000 ]  - [   0.0007783500000000, -0.0015052500000000, -0.0011326200000000 ]  - [  -0.0000035000000000,  0.0000053300000000, -0.0000063000000000 ]  - [   0.0001960300000000, -0.0006867200000000,  0.0004015800000000 ]  - [   0.0000048700000000, -0.0000093700000000, -0.0000055200000000 ]  - [   0.0002054300000000, -0.0001326900000000,  0.0002330500000000 ]  - [  -0.0000161500000000, -0.0000054500000000,  0.0000144100000000 ]  - [   0.0000145100000000,  0.0001296400000000, -0.0000219600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0037838900000000, -0.0000087700000000, -0.0108885400000000 ]  - [   0.0038040300000000, -0.0000352000000000,  0.0000212000000000 ]  - [   0.0038037100000000, -0.0000350600000000,  0.0000931900000000 ]  - [   0.0038038500000000, -0.0000351500000000, -0.0000058500000000 ]  - [   0.0038041300000000, -0.0000350700000000,  0.0004592600000000 ]  - [   0.0038034500000000, -0.0000355000000000, -0.0000125700000000 ]  - [   0.0038039300000000, -0.0000351800000000, -0.0000976000000000 ]  - [   0.0038037100000000, -0.0000353500000000,  0.0000236600000000 ]  - [  -0.0039433200000000,  0.0000386800000000,  0.0000435700000000 ]  - [  -0.0037091600000000,  0.0003122200000000, -0.0000487800000000 ]  - [  -0.0038010600000000,  0.0000440800000000, -0.0000106000000000 ]  - [  -0.0037984300000000, -0.0001932500000000,  0.0000354200000000 ]  - [  -0.0036641300000000,  0.0000334700000000,  0.0000439300000000 ]  - [  -0.0038970800000000, -0.0002388700000000, -0.0000488100000000 ]  - [  -0.0038064200000000,  0.0000282100000000, -0.0000105400000000 ]  - [  -0.0038087400000000,  0.0002648600000000,  0.0000349000000000 ]  - [  -0.0038039500000000, -0.0000356000000000, -0.0000439300000000 ]  - [  -0.0038140400000000, -0.0000347600000000, -0.0011370900000000 ]  - [  -0.0038040000000000, -0.0000351300000000, -0.0000196400000000 ]  - [  -0.0038041000000000, -0.0000357200000000,  0.0000670200000000 ]  - [  -0.0038039800000000, -0.0000353400000000, -0.0000083800000000 ]  - [  -0.0038037800000000, -0.0000351700000000,  0.0005412100000000 ]  - [  -0.0038039300000000, -0.0000352300000000,  0.0000008500000000 ]  - [  -0.0038036000000000, -0.0000350600000000, -0.0000858200000000 ]  - [   0.0038647400000000,  0.0015905700000000,  0.0015670500000000 ]  - [   0.0038091700000000,  0.0000264100000000,  0.0000110300000000 ]  - [   0.0038012100000000, -0.0001331200000000,  0.0000307100000000 ]  - [   0.0038126000000000,  0.0000422200000000,  0.0000083800000000 ]  - [   0.0037427900000000, -0.0014960000000000,  0.0015485800000000 ]  - [   0.0037983200000000,  0.0000462000000000,  0.0000106200000000 ]  - [   0.0038058800000000,  0.0002047400000000,  0.0000303000000000 ]  - [   0.0037950000000000,  0.0000302800000000,  0.0000085800000000 ]  - [   0.0038031500000000, -0.0000351100000000, -0.0001521600000000 ]  - [   0.0038029700000000, -0.0000351100000000,  0.0000680100000000 ]  - [   0.0038033700000000, -0.0000346700000000,  0.0000678500000000 ]  - [   0.0038036300000000, -0.0000351400000000, -0.0001522000000000 ]  - [   0.0038034200000000, -0.0000349700000000,  0.0001319100000000 ]  - [   0.0038032900000000, -0.0000351800000000,  0.0000024600000000 ]  - [   0.0038034000000000, -0.0000352600000000,  0.0000025000000000 ]  - [   0.0038031400000000, -0.0000352000000000,  0.0001316900000000 ]  - [  -0.0053244300000000, -0.0014519700000000,  0.0025872500000000 ]  - [  -0.0037880500000000,  0.0000478800000000, -0.0000032200000000 ]  - [  -0.0037482000000000,  0.0000936400000000, -0.0000116600000000 ]  - [  -0.0038116100000000,  0.0000321000000000, -0.0000086100000000 ]  - [  -0.0023039300000000,  0.0014999600000000,  0.0025531100000000 ]  - [  -0.0038185100000000,  0.0000245500000000, -0.0000032100000000 ]  - [  -0.0038577700000000, -0.0000214200000000, -0.0000117300000000 ]  - [  -0.0037950100000000,  0.0000402400000000, -0.0000082700000000 ]  - [  -0.0038018300000000, -0.0000389400000000, -0.0003286000000000 ]  - [  -0.0038033500000000, -0.0000352800000000, -0.0000186600000000 ]  - [  -0.0038026100000000, -0.0000322300000000, -0.0003284800000000 ]  - [  -0.0038032700000000, -0.0000352300000000, -0.0000187700000000 ]  - [  -0.0038033800000000, -0.0000350000000000,  0.0000704100000000 ]  - [  -0.0038033300000000, -0.0000352000000000, -0.0000015000000000 ]  - [  -0.0038033800000000, -0.0000355300000000,  0.0000704800000000 ]  - [  -0.0038032100000000, -0.0000348900000000, -0.0000012600000000 ]  - [   0.0037705800000000, -0.0000280900000000, -0.0000316300000000 ]  - [   0.0040960600000000,  0.0000100400000000, -0.0000307600000000 ]  - [   0.0037928900000000,  0.0000978300000000, -0.0000004900000000 ]  - [   0.0037622300000000,  0.0000290700000000, -0.0000005400000000 ]  - [   0.0038356700000000,  0.0001003500000000, -0.0000304000000000 ]  - [   0.0035109000000000,  0.0000625700000000, -0.0000313200000000 ]  - [   0.0038136700000000, -0.0000253600000000, -0.0000006100000000 ]  - [   0.0038437600000000,  0.0000428600000000, -0.0000003400000000 ]  - [   0.0001180700000000,  0.0206184300000000, -0.0000709300000000 ]  - [  -0.0000142100000000,  0.0205806400000000,  0.0000083500000000 ]  - [   0.0000446100000000,  0.0206340500000000, -0.0000022300000000 ]  - [  -0.0000655900000000,  0.0206667600000000, -0.0000071600000000 ]  - [  -0.0001162900000000,  0.0205491300000000, -0.0000717100000000 ]  - [   0.0000143400000000,  0.0206005200000000,  0.0000080200000000 ]  - [  -0.0000438100000000,  0.0205475900000000, -0.0000023300000000 ]  - [   0.0000652700000000,  0.0205160100000000, -0.0000074500000000 ]  - [   0.0000162900000000, -0.0205738500000000,  0.0003546800000000 ]  - [  -0.0000004100000000, -0.0205962300000000,  0.0001516600000000 ]  - [  -0.0000002200000000, -0.0205874700000000,  0.0000031100000000 ]  - [   0.0000004100000000, -0.0205837400000000,  0.0000093900000000 ]  - [   0.0000006700000000, -0.0205903900000000, -0.0001992800000000 ]  - [  -0.0000000600000000, -0.0205791200000000, -0.0002380000000000 ]  - [  -0.0000002700000000, -0.0205813400000000,  0.0000000800000000 ]  - [   0.0000003500000000, -0.0205868400000000, -0.0000167100000000 ]  - [  -0.0000076600000000,  0.0206006100000000,  0.0000061700000000 ]  - [  -0.0000062000000000,  0.0218266000000000,  0.0007413600000000 ]  - [   0.0000123700000000,  0.0205818900000000,  0.0000006500000000 ]  - [  -0.0000736600000000,  0.0206564600000000,  0.0000286000000000 ]  - [   0.0000074200000000,  0.0205660200000000,  0.0000063400000000 ]  - [   0.0000391800000000,  0.0193273200000000,  0.0006681700000000 ]  - [  -0.0000122300000000,  0.0205891900000000,  0.0000008400000000 ]  - [   0.0000730800000000,  0.0205159500000000,  0.0000267000000000 ]  - [   0.0000001500000000, -0.0205910900000000,  0.0000521000000000 ]  - [  -0.0000079300000000, -0.0206071800000000,  0.0004169900000000 ]  - [   0.0000000600000000, -0.0205903100000000,  0.0000046800000000 ]  - [  -0.0000001000000000, -0.0205888200000000,  0.0005706400000000 ]  - [   0.0000001400000000, -0.0205848200000000, -0.0000398700000000 ]  - [  -0.0000002300000000, -0.0205913900000000, -0.0001323700000000 ]  - [  -0.0000002000000000, -0.0205972100000000, -0.0000039900000000 ]  - [  -0.0000004200000000, -0.0205910700000000, -0.0006443800000000 ]  - [  -0.0000639300000000,  0.0000800900000000,  0.0004180900000000 ]  - [  -0.0000137300000000, -0.0000393200000000,  0.0000079300000000 ]  - [   0.0000005700000000, -0.0000096400000000, -0.0000084600000000 ]  - [  -0.0000067900000000, -0.0000227800000000, -0.0000169600000000 ]  - [   0.0000041800000000,  0.0000922400000000,  0.0001377600000000 ]  - [   0.0000350800000000,  0.0000617500000000, -0.0000019400000000 ]  - [  -0.0000332300000000,  0.0000098600000000,  0.0000117500000000 ]  - [   0.0000133000000000,  0.0000222000000000,  0.0000184000000000 ]  - [   0.0000523700000000, -0.0000817700000000,  0.0004184700000000 ]  - [   0.0000135100000000,  0.0000406700000000,  0.0000067400000000 ]  - [  -0.0000001000000000,  0.0000127000000000, -0.0000098500000000 ]  - [   0.0000064200000000,  0.0000223200000000, -0.0000151800000000 ]  - [  -0.0000023000000000, -0.0000932700000000,  0.0001377100000000 ]  - [  -0.0000355900000000, -0.0000613500000000, -0.0000018200000000 ]  - [   0.0000342900000000, -0.0000093600000000,  0.0000129700000000 ]  - [  -0.0000142900000000, -0.0000191800000000,  0.0000175000000000 ]  - [  -0.0000239900000000, -0.0000103900000000,  0.0000101000000000 ]  - [   0.0006072200000000, -0.0021150900000000, -0.0001052800000000 ]  - [  -0.0000063500000000, -0.0000060200000000, -0.0000032500000000 ]  - [   0.0003227000000000, -0.0000428800000000, -0.0000036900000000 ]  - [  -0.0000085400000000, -0.0000032000000000, -0.0000085000000000 ]  - [   0.0004581900000000,  0.0009657300000000,  0.0003827900000000 ]  - [  -0.0000149200000000,  0.0000153500000000,  0.0000017200000000 ]  - [   0.0000328800000000,  0.0000057900000000,  0.0000099700000000 ]  - [   0.0000234800000000,  0.0000140800000000,  0.0000079200000000 ]  - [  -0.0005923400000000,  0.0020855200000000, -0.0001047300000000 ]  - [   0.0000068100000000,  0.0000078400000000, -0.0000034600000000 ]  - [  -0.0003220600000000,  0.0000432600000000,  0.0000000000000000 ]  - [   0.0000084900000000,  0.0000042700000000, -0.0000083900000000 ]  - [  -0.0004569700000000, -0.0009617300000000,  0.0003863400000000 ]  - [   0.0000150600000000, -0.0000159000000000,  0.0000026100000000 ]  - [  -0.0000332800000000, -0.0000028000000000,  0.0000080200000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0040086300000000,  0.0002102100000000,  0.0001183300000000 ]  - [   0.0036881200000000, -0.0001515100000000, -0.0000143200000000 ]  - [   0.0039657200000000, -0.0001355100000000,  0.0000438800000000 ]  - [   0.0036371100000000,  0.0000791900000000, -0.0000654900000000 ]  - [   0.0040086300000000,  0.0002102100000000, -0.0001183300000000 ]  - [   0.0036881200000000, -0.0001515100000000,  0.0000143200000000 ]  - [   0.0039657200000000, -0.0001355100000000, -0.0000438800000000 ]  - [   0.0036371100000000,  0.0000791900000000,  0.0000654900000000 ]  - [   0.0060831200000000,  0.0026734500000000,  0.0000000000000000 ]  - [  -0.0040441700000000,  0.0001262700000000,  0.0000000000000000 ]  - [  -0.0036833900000000,  0.0001174900000000,  0.0000000000000000 ]  - [  -0.0039280200000000, -0.0000495100000000,  0.0000000000000000 ]  - [  -0.0036142900000000, -0.0000496500000000,  0.0000000000000000 ]  - [  -0.0039912900000000,  0.0001430000000000,  0.0000000000000000 ]  - [  -0.0036918700000000,  0.0000828300000000,  0.0000000000000000 ]  - [  -0.0039164800000000, -0.0000170700000000,  0.0000000000000000 ]  - [  -0.0036005700000000, -0.0002821300000000, -0.0001156900000000 ]  - [  -0.0039196500000000,  0.0000773300000000,  0.0000146100000000 ]  - [  -0.0036425300000000,  0.0000617500000000, -0.0000445200000000 ]  - [  -0.0039719600000000, -0.0001535200000000,  0.0000653600000000 ]  - [  -0.0036005700000000, -0.0002821300000000,  0.0001156900000000 ]  - [  -0.0039196500000000,  0.0000773300000000, -0.0000146100000000 ]  - [  -0.0036425300000000,  0.0000617500000000,  0.0000445200000000 ]  - [  -0.0039719600000000, -0.0001535200000000, -0.0000653600000000 ]  - [   0.0140646800000000, -0.0027662400000000,  0.0000000000000000 ]  - [   0.0035652100000000, -0.0000570500000000,  0.0000000000000000 ]  - [   0.0039238700000000, -0.0000475900000000,  0.0000000000000000 ]  - [   0.0036806400000000,  0.0001193800000000,  0.0000000000000000 ]  - [   0.0039951500000000,  0.0001198300000000,  0.0000000000000000 ]  - [   0.0036165100000000, -0.0000729100000000,  0.0000000000000000 ]  - [   0.0039148800000000, -0.0000133500000000,  0.0000000000000000 ]  - [   0.0036911200000000,  0.0000869500000000,  0.0000000000000000 ]  - [   0.0047694000000000,  0.0000880600000000, -0.0000323800000000 ]  - [   0.0035544400000000, -0.0000533400000000, -0.0000078300000000 ]  - [   0.0038535100000000,  0.0000140500000000, -0.0000735900000000 ]  - [   0.0037421100000000, -0.0000341400000000,  0.0000119500000000 ]  - [   0.0047694000000000,  0.0000880600000000,  0.0000323800000000 ]  - [   0.0035544400000000, -0.0000533400000000,  0.0000078300000000 ]  - [   0.0038535100000000,  0.0000140500000000,  0.0000735900000000 ]  - [   0.0037421100000000, -0.0000341400000000, -0.0000119500000000 ]  - [  -0.0036918300000000,  0.0000493700000000,  0.0000000000000000 ]  - [  -0.0038969200000000,  0.0000375500000000,  0.0000000000000000 ]  - [  -0.0010341100000000,  0.0035583600000000,  0.0000000000000000 ]  - [  -0.0040506400000000,  0.0000450200000000,  0.0000000000000000 ]  - [  -0.0037334600000000,  0.0000874600000000,  0.0000000000000000 ]  - [  -0.0038409300000000,  0.0000411900000000,  0.0000000000000000 ]  - [  -0.0036490800000000,  0.0000147300000000,  0.0000000000000000 ]  - [  -0.0039560000000000,  0.0000648000000000,  0.0000000000000000 ]  - [  -0.0028377600000000, -0.0001601000000000,  0.0000131300000000 ]  - [  -0.0040522300000000, -0.0000214600000000,  0.0000073800000000 ]  - [  -0.0037523500000000, -0.0000919100000000,  0.0000735300000000 ]  - [  -0.0038647200000000, -0.0000400100000000, -0.0000124600000000 ]  - [  -0.0028377600000000, -0.0001601000000000, -0.0000131300000000 ]  - [  -0.0040522300000000, -0.0000214600000000, -0.0000073800000000 ]  - [  -0.0037523500000000, -0.0000919100000000, -0.0000735300000000 ]  - [  -0.0038647200000000, -0.0000400100000000,  0.0000124600000000 ]  - [   0.0039141700000000,  0.0000235700000000,  0.0000000000000000 ]  - [   0.0037092700000000,  0.0000331900000000,  0.0000000000000000 ]  - [   0.0065785500000000, -0.0034079200000000,  0.0000000000000000 ]  - [   0.0035554100000000,  0.0000253100000000,  0.0000000000000000 ]  - [   0.0038719700000000, -0.0000192100000000,  0.0000000000000000 ]  - [   0.0037669000000000,  0.0000279500000000,  0.0000000000000000 ]  - [   0.0039584700000000,  0.0000572600000000,  0.0000000000000000 ]  - [   0.0036502200000000,  0.0000048900000000,  0.0000000000000000 ]  - [  -0.0368707500000000,  0.0205673200000000,  0.0000000000000000 ]  - [   0.0003270200000000,  0.0205846800000000,  0.0000000000000000 ]  - [  -0.0000925400000000,  0.0205887600000000,  0.0000000000000000 ]  - [   0.0002100900000000,  0.0205850400000000,  0.0000000000000000 ]  - [  -0.0002505500000000,  0.0205850800000000,  0.0000000000000000 ]  - [   0.0004294500000000,  0.0205851600000000,  0.0000000000000000 ]  - [   0.0003517400000000,  0.0205991200000000,  0.0000000000000000 ]  - [   0.0001189000000000,  0.0205881700000000,  0.0000000000000000 ]  - [  -0.0028330700000000, -0.0205741500000000,  0.0000040400000000 ]  - [   0.0001404000000000, -0.0205896400000000, -0.0000003400000000 ]  - [  -0.0003784900000000, -0.0205827400000000, -0.0000002200000000 ]  - [   0.0003115700000000, -0.0205848800000000, -0.0000005300000000 ]  - [  -0.0028330700000000, -0.0205741500000000, -0.0000040400000000 ]  - [   0.0001404000000000, -0.0205896400000000,  0.0000003400000000 ]  - [  -0.0003784900000000, -0.0205827400000000,  0.0000002200000000 ]  - [   0.0003115700000000, -0.0205848800000000,  0.0000005300000000 ]  - [   0.0000914900000000,  0.0209815600000000,  0.0000000000000000 ]  - [   0.0000928500000000,  0.0201883700000000,  0.0000000000000000 ]  - [   0.0000924800000000,  0.0203633000000000,  0.0000000000000000 ]  - [   0.0000919000000000,  0.0208080100000000,  0.0000000000000000 ]  - [  -0.0000781400000000,  0.0207658400000000,  0.0000000000000000 ]  - [  -0.0000791900000000,  0.0203980600000000,  0.0000000000000000 ]  - [  -0.0000786700000000,  0.0202548200000000,  0.0000000000000000 ]  - [  -0.0000785600000000,  0.0209157300000000,  0.0000000000000000 ]  - [   0.0005370200000000, -0.0206231400000000,  0.0006774600000000 ]  - [   0.0005394400000000, -0.0205431200000000, -0.0006810600000000 ]  - [  -0.0000240000000000, -0.0206125300000000,  0.0000603600000000 ]  - [  -0.0000237500000000, -0.0205568800000000, -0.0000603400000000 ]  - [   0.0005370200000000, -0.0206231400000000, -0.0006774600000000 ]  - [   0.0005394400000000, -0.0205431200000000,  0.0006810600000000 ]  - [  -0.0000240000000000, -0.0206125300000000, -0.0000603600000000 ]  - [  -0.0000237500000000, -0.0205568800000000,  0.0000603400000000 ]  - [   0.0044122700000000,  0.0000869500000000,  0.0000911000000000 ]  - [   0.0000886200000000, -0.0000029000000000, -0.0000011100000000 ]  - [  -0.0000478400000000, -0.0000004700000000, -0.0000016200000000 ]  - [   0.0000480300000000, -0.0000016700000000, -0.0000006300000000 ]  - [  -0.0001063800000000,  0.0000011100000000, -0.0000018600000000 ]  - [   0.0001341000000000, -0.0000027300000000, -0.0000008200000000 ]  - [  -0.0001664400000000, -0.0000054700000000, -0.0000000000000000 ]  - [   0.0000524800000000,  0.0000006900000000,  0.0000011400000000 ]  - [  -0.0001063800000000,  0.0000011100000000,  0.0000018600000000 ]  - [   0.0001341000000000, -0.0000027300000000,  0.0000008200000000 ]  - [  -0.0001664400000000, -0.0000054700000000,  0.0000000000000000 ]  - [   0.0000524800000000,  0.0000006900000000, -0.0000011400000000 ]  - [   0.0044122700000000,  0.0000869500000000, -0.0000911000000000 ]  - [   0.0000886200000000, -0.0000029000000000,  0.0000011100000000 ]  - [  -0.0000478400000000, -0.0000004700000000,  0.0000016200000000 ]  - [   0.0000480300000000, -0.0000016700000000,  0.0000006300000000 ]  - [   0.0000379200000000, -0.0000639700000000, -0.0001064200000000 ]  - [   0.0000385500000000,  0.0000600200000000,  0.0001053600000000 ]  - [   0.0005660900000000, -0.0002715400000000,  0.0001801200000000 ]  - [   0.0005644400000000,  0.0002688900000000, -0.0001797700000000 ]  - [  -0.0000770900000000,  0.0000103900000000, -0.0000207300000000 ]  - [  -0.0000777000000000, -0.0000149600000000,  0.0000185300000000 ]  - [   0.0000685300000000,  0.0002387200000000,  0.0001252900000000 ]  - [   0.0000704700000000, -0.0002421100000000, -0.0001237000000000 ]  - [  -0.0000770900000000,  0.0000103900000000,  0.0000207300000000 ]  - [  -0.0000777000000000, -0.0000149600000000, -0.0000185300000000 ]  - [   0.0000685300000000,  0.0002387200000000, -0.0001252900000000 ]  - [   0.0000704700000000, -0.0002421100000000,  0.0001237000000000 ]  - [   0.0000379200000000, -0.0000639700000000,  0.0001064200000000 ]  - [   0.0000385500000000,  0.0000600200000000, -0.0001053600000000 ]  - [   0.0005660900000000, -0.0002715400000000, -0.0001801200000000 ]  - [   0.0005644400000000,  0.0002688900000000,  0.0001797700000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0042570000000000,  0.0001473500000000,  0.0000301800000000 ]  - [   0.0038006000000000,  0.0000631000000000, -0.0000090300000000 ]  - [   0.0036311400000000, -0.0001582200000000,  0.0000460200000000 ]  - [   0.0038379100000000, -0.0001210300000000,  0.0000793500000000 ]  - [   0.0042570000000000,  0.0001473500000000, -0.0000301800000000 ]  - [   0.0038006000000000,  0.0000631000000000,  0.0000090300000000 ]  - [   0.0036311400000000, -0.0001582200000000, -0.0000460200000000 ]  - [   0.0038379100000000, -0.0001210300000000, -0.0000793500000000 ]  - [   0.0013657500000000,  0.0018698700000000,  0.0000000000000000 ]  - [  -0.0038511800000000,  0.0001584900000000,  0.0000000000000000 ]  - [  -0.0037290800000000, -0.0001280900000000,  0.0000000000000000 ]  - [  -0.0037870000000000, -0.0001472600000000,  0.0000000000000000 ]  - [  -0.0040418700000000,  0.0001776900000000,  0.0000000000000000 ]  - [  -0.0038334200000000,  0.0001213600000000,  0.0000000000000000 ]  - [  -0.0036490800000000, -0.0000772400000000,  0.0000000000000000 ]  - [  -0.0037697300000000, -0.0000441300000000,  0.0000000000000000 ]  - [  -0.0042570000000000,  0.0001473500000000,  0.0000301800000000 ]  - [  -0.0038006000000000,  0.0000631000000000, -0.0000090300000000 ]  - [  -0.0036311400000000, -0.0001582200000000,  0.0000460200000000 ]  - [  -0.0038379100000000, -0.0001210300000000,  0.0000793500000000 ]  - [  -0.0042570000000000,  0.0001473500000000, -0.0000301800000000 ]  - [  -0.0038006000000000,  0.0000631000000000,  0.0000090300000000 ]  - [  -0.0036311400000000, -0.0001582200000000, -0.0000460200000000 ]  - [  -0.0038379100000000, -0.0001210300000000, -0.0000793500000000 ]  - [  -0.0013657500000000,  0.0018698700000000,  0.0000000000000000 ]  - [   0.0038511800000000,  0.0001584900000000,  0.0000000000000000 ]  - [   0.0037290800000000, -0.0001280900000000,  0.0000000000000000 ]  - [   0.0037870000000000, -0.0001472600000000,  0.0000000000000000 ]  - [   0.0040418700000000,  0.0001776900000000,  0.0000000000000000 ]  - [   0.0038334200000000,  0.0001213600000000,  0.0000000000000000 ]  - [   0.0036490800000000, -0.0000772400000000,  0.0000000000000000 ]  - [   0.0037697300000000, -0.0000441300000000,  0.0000000000000000 ]  - [   0.0043089900000000,  0.0005363400000000,  0.0012503300000000 ]  - [   0.0037151800000000, -0.0000082100000000,  0.0000160600000000 ]  - [   0.0035819600000000, -0.0006268500000000,  0.0000725700000000 ]  - [   0.0038584200000000, -0.0000729700000000,  0.0000010300000000 ]  - [   0.0043089900000000,  0.0005363400000000, -0.0012503300000000 ]  - [   0.0037151800000000, -0.0000082100000000, -0.0000160600000000 ]  - [   0.0035819600000000, -0.0006268500000000, -0.0000725700000000 ]  - [   0.0038584200000000, -0.0000729700000000, -0.0000010300000000 ]  - [  -0.0038850500000000,  0.0000927100000000,  0.0000000000000000 ]  - [  -0.0038832800000000,  0.0000238500000000,  0.0000000000000000 ]  - [   0.0001596600000000,  0.0056613800000000,  0.0000000000000000 ]  - [  -0.0036467800000000,  0.0000758900000000,  0.0000000000000000 ]  - [  -0.0032790800000000, -0.0001385500000000,  0.0000000000000000 ]  - [  -0.0038715400000000,  0.0000201000000000,  0.0000000000000000 ]  - [  -0.0038943600000000,  0.0003461000000000,  0.0000000000000000 ]  - [  -0.0037701000000000,  0.0000422300000000,  0.0000000000000000 ]  - [  -0.0043089900000000,  0.0005363400000000,  0.0012503300000000 ]  - [  -0.0037151800000000, -0.0000082100000000,  0.0000160600000000 ]  - [  -0.0035819600000000, -0.0006268500000000,  0.0000725700000000 ]  - [  -0.0038584200000000, -0.0000729700000000,  0.0000010300000000 ]  - [  -0.0043089900000000,  0.0005363400000000, -0.0012503300000000 ]  - [  -0.0037151800000000, -0.0000082100000000, -0.0000160600000000 ]  - [  -0.0035819600000000, -0.0006268500000000, -0.0000725700000000 ]  - [  -0.0038584200000000, -0.0000729700000000, -0.0000010300000000 ]  - [   0.0038850500000000,  0.0000927100000000,  0.0000000000000000 ]  - [   0.0038832800000000,  0.0000238500000000,  0.0000000000000000 ]  - [  -0.0001596600000000,  0.0056613800000000,  0.0000000000000000 ]  - [   0.0036467800000000,  0.0000758900000000,  0.0000000000000000 ]  - [   0.0032790800000000, -0.0001385500000000,  0.0000000000000000 ]  - [   0.0038715400000000,  0.0000201000000000,  0.0000000000000000 ]  - [   0.0038943600000000,  0.0003461000000000,  0.0000000000000000 ]  - [   0.0037701000000000,  0.0000422300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0873958500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0204483600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0212837400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0208007000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0196859500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0206027100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0242057500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0206837800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0150195600000000,  0.0048271600000000 ]  - [   0.0000000000000000, -0.0205955400000000, -0.0000074600000000 ]  - [   0.0000000000000000, -0.0181150100000000, -0.0022499900000000 ]  - [   0.0000000000000000, -0.0204565600000000,  0.0000029700000000 ]  - [   0.0000000000000000, -0.0150195600000000, -0.0048271600000000 ]  - [   0.0000000000000000, -0.0205955400000000,  0.0000074600000000 ]  - [   0.0000000000000000, -0.0181150100000000,  0.0022499900000000 ]  - [   0.0000000000000000, -0.0204565600000000, -0.0000029700000000 ]  - [   0.0002261200000000,  0.0207987800000000,  0.0000000000000000 ]  - [  -0.0002261200000000,  0.0207987800000000,  0.0000000000000000 ]  - [  -0.0004034200000000,  0.0208003700000000,  0.0000000000000000 ]  - [   0.0004034200000000,  0.0208003700000000,  0.0000000000000000 ]  - [   0.0003330900000000,  0.0205615300000000,  0.0000000000000000 ]  - [  -0.0003330900000000,  0.0205615300000000,  0.0000000000000000 ]  - [  -0.0001855300000000,  0.0205525100000000,  0.0000000000000000 ]  - [   0.0001855300000000,  0.0205525100000000,  0.0000000000000000 ]  - [  -0.0000390800000000, -0.0209669500000000, -0.0000903700000000 ]  - [   0.0000390800000000, -0.0209669500000000, -0.0000903700000000 ]  - [  -0.0000328500000000, -0.0203326900000000,  0.0000160100000000 ]  - [   0.0000328500000000, -0.0203326900000000,  0.0000160100000000 ]  - [  -0.0000390800000000, -0.0209669500000000,  0.0000903700000000 ]  - [   0.0000390800000000, -0.0209669500000000,  0.0000903700000000 ]  - [  -0.0000328500000000, -0.0203326900000000, -0.0000160100000000 ]  - [   0.0000328500000000, -0.0203326900000000, -0.0000160100000000 ]  - [   0.0000000000000000,  0.0373323200000000,  0.0325807100000000 ]  - [   0.0000000000000000,  0.0000257700000000,  0.0000453200000000 ]  - [   0.0000000000000000, -0.0001207800000000, -0.0001251600000000 ]  - [   0.0000000000000000, -0.0000499500000000, -0.0000404600000000 ]  - [   0.0000000000000000,  0.0003318700000000, -0.0004158800000000 ]  - [   0.0000000000000000, -0.0000179600000000,  0.0000167300000000 ]  - [   0.0000000000000000, -0.0012213400000000, -0.0001385100000000 ]  - [   0.0000000000000000, -0.0000306100000000, -0.0000317400000000 ]  - [   0.0000000000000000,  0.0003318700000000,  0.0004158800000000 ]  - [   0.0000000000000000, -0.0000179600000000, -0.0000167300000000 ]  - [   0.0000000000000000, -0.0012213400000000,  0.0001385100000000 ]  - [   0.0000000000000000, -0.0000306100000000,  0.0000317400000000 ]  - [   0.0000000000000000,  0.0373323200000000, -0.0325807100000000 ]  - [   0.0000000000000000,  0.0000257700000000, -0.0000453200000000 ]  - [   0.0000000000000000, -0.0001207800000000,  0.0001251600000000 ]  - [   0.0000000000000000, -0.0000499500000000,  0.0000404600000000 ]  - [   0.0000530400000000, -0.0000968900000000, -0.0001062700000000 ]  - [  -0.0000530400000000, -0.0000968900000000, -0.0001062700000000 ]  - [  -0.0005157900000000,  0.0001478800000000,  0.0000316900000000 ]  - [   0.0005157900000000,  0.0001478800000000,  0.0000316900000000 ]  - [   0.0000838000000000, -0.0000109200000000, -0.0000538200000000 ]  - [  -0.0000838000000000, -0.0000109200000000, -0.0000538200000000 ]  - [   0.0000663200000000,  0.0000061400000000, -0.0000285400000000 ]  - [  -0.0000663200000000,  0.0000061400000000, -0.0000285400000000 ]  - [   0.0000838000000000, -0.0000109200000000,  0.0000538200000000 ]  - [  -0.0000838000000000, -0.0000109200000000,  0.0000538200000000 ]  - [   0.0000663200000000,  0.0000061400000000,  0.0000285400000000 ]  - [  -0.0000663200000000,  0.0000061400000000,  0.0000285400000000 ]  - [   0.0000530400000000, -0.0000968900000000,  0.0001062700000000 ]  - [  -0.0000530400000000, -0.0000968900000000,  0.0001062700000000 ]  - [  -0.0005157900000000,  0.0001478800000000, -0.0000316900000000 ]  - [   0.0005157900000000,  0.0001478800000000, -0.0000316900000000 ]- atom:   65  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0033557900000000, -0.0002192900000000, -0.0000318200000000 ]  - [   0.0038060800000000, -0.0001341400000000,  0.0000088800000000 ]  - [   0.0039758200000000,  0.0000875900000000, -0.0000461200000000 ]  - [   0.0037687300000000,  0.0000506100000000, -0.0000790200000000 ]  - [   0.0033557900000000, -0.0002192900000000,  0.0000318200000000 ]  - [   0.0038060800000000, -0.0001341400000000, -0.0000088800000000 ]  - [   0.0039758200000000,  0.0000875900000000,  0.0000461200000000 ]  - [   0.0037687300000000,  0.0000506100000000,  0.0000790200000000 ]  - [  -0.0090049400000000, -0.0017762700000000, -0.0000000000000000 ]  - [  -0.0037550600000000, -0.0000870800000000, -0.0000000000000000 ]  - [  -0.0038788300000000,  0.0001995400000000, -0.0000000000000000 ]  - [  -0.0038198500000000,  0.0002185100000000, -0.0000000000000000 ]  - [  -0.0035686800000000, -0.0001059800000000, -0.0000000000000000 ]  - [  -0.0037729300000000, -0.0000503500000000, -0.0000000000000000 ]  - [  -0.0039571200000000,  0.0001483200000000, -0.0000000000000000 ]  - [  -0.0038372900000000,  0.0001154800000000, -0.0000000000000000 ]  - [  -0.0033557900000000, -0.0002192900000000, -0.0000318200000000 ]  - [  -0.0038060800000000, -0.0001341400000000,  0.0000088800000000 ]  - [  -0.0039758200000000,  0.0000875900000000, -0.0000461200000000 ]  - [  -0.0037687300000000,  0.0000506100000000, -0.0000790200000000 ]  - [  -0.0033557900000000, -0.0002192900000000,  0.0000318200000000 ]  - [  -0.0038060800000000, -0.0001341400000000, -0.0000088800000000 ]  - [  -0.0039758200000000,  0.0000875900000000,  0.0000461200000000 ]  - [  -0.0037687300000000,  0.0000506100000000,  0.0000790200000000 ]  - [   0.0090049400000000, -0.0017762700000000, -0.0000000000000000 ]  - [   0.0037550600000000, -0.0000870800000000, -0.0000000000000000 ]  - [   0.0038788300000000,  0.0001995400000000, -0.0000000000000000 ]  - [   0.0038198500000000,  0.0002185100000000, -0.0000000000000000 ]  - [   0.0035686800000000, -0.0001059800000000, -0.0000000000000000 ]  - [   0.0037729300000000, -0.0000503500000000, -0.0000000000000000 ]  - [   0.0039571200000000,  0.0001483200000000, -0.0000000000000000 ]  - [   0.0038372900000000,  0.0001154800000000, -0.0000000000000000 ]  - [   0.0032980700000000, -0.0005982600000000, -0.0012485400000000 ]  - [   0.0038929100000000, -0.0000623400000000, -0.0000160300000000 ]  - [   0.0040234700000000,  0.0005534500000000, -0.0000744400000000 ]  - [   0.0037487200000000,  0.0000017500000000, -0.0000010500000000 ]  - [   0.0032980700000000, -0.0005982600000000,  0.0012485400000000 ]  - [   0.0038929100000000, -0.0000623400000000,  0.0000160300000000 ]  - [   0.0040234700000000,  0.0005534500000000,  0.0000744400000000 ]  - [   0.0037487200000000,  0.0000017500000000,  0.0000010500000000 ]  - [  -0.0037116400000000, -0.0000294800000000, -0.0000000000000000 ]  - [  -0.0037242100000000,  0.0000472700000000, -0.0000000000000000 ]  - [  -0.0075975300000000, -0.0053681800000000, -0.0000000000000000 ]  - [  -0.0039602900000000, -0.0000038600000000, -0.0000000000000000 ]  - [  -0.0043279100000000,  0.0002051800000000, -0.0000000000000000 ]  - [  -0.0037357700000000,  0.0000511600000000, -0.0000000000000000 ]  - [  -0.0037118000000000, -0.0002713100000000, -0.0000000000000000 ]  - [  -0.0038373600000000,  0.0000294700000000, -0.0000000000000000 ]  - [  -0.0032980700000000, -0.0005982600000000, -0.0012485400000000 ]  - [  -0.0038929100000000, -0.0000623400000000, -0.0000160300000000 ]  - [  -0.0040234700000000,  0.0005534500000000, -0.0000744400000000 ]  - [  -0.0037487200000000,  0.0000017500000000, -0.0000010500000000 ]  - [  -0.0032980700000000, -0.0005982600000000,  0.0012485400000000 ]  - [  -0.0038929100000000, -0.0000623400000000,  0.0000160300000000 ]  - [  -0.0040234700000000,  0.0005534500000000,  0.0000744400000000 ]  - [  -0.0037487200000000,  0.0000017500000000,  0.0000010500000000 ]  - [   0.0037116400000000, -0.0000294800000000, -0.0000000000000000 ]  - [   0.0037242100000000,  0.0000472700000000, -0.0000000000000000 ]  - [   0.0075975300000000, -0.0053681800000000, -0.0000000000000000 ]  - [   0.0039602900000000, -0.0000038600000000, -0.0000000000000000 ]  - [   0.0043279100000000,  0.0002051800000000, -0.0000000000000000 ]  - [   0.0037357700000000,  0.0000511600000000, -0.0000000000000000 ]  - [   0.0037118000000000, -0.0002713100000000, -0.0000000000000000 ]  - [   0.0038373600000000,  0.0000294700000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.1308922400000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0207251600000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0198945100000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0203815200000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0214756400000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0205704400000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0169795100000000, -0.0000000000000000 ]  - [  -0.0000000000000000,  0.0205002400000000, -0.0000000000000000 ]  - [  -0.0000000000000000, -0.0262271700000000, -0.0049296800000000 ]  - [  -0.0000000000000000, -0.0205694200000000,  0.0000083400000000 ]  - [  -0.0000000000000000, -0.0230485800000000,  0.0022528800000000 ]  - [  -0.0000000000000000, -0.0207069400000000, -0.0000029500000000 ]  - [  -0.0000000000000000, -0.0262271700000000,  0.0049296800000000 ]  - [  -0.0000000000000000, -0.0205694200000000, -0.0000083400000000 ]  - [  -0.0000000000000000, -0.0230485800000000, -0.0022528800000000 ]  - [  -0.0000000000000000, -0.0207069400000000,  0.0000029500000000 ]  - [  -0.0002246300000000,  0.0203670400000000, -0.0000000000000000 ]  - [   0.0002246300000000,  0.0203670400000000, -0.0000000000000000 ]  - [   0.0003999100000000,  0.0203730000000000, -0.0000000000000000 ]  - [  -0.0003999100000000,  0.0203730000000000, -0.0000000000000000 ]  - [  -0.0003324500000000,  0.0206086400000000, -0.0000000000000000 ]  - [   0.0003324500000000,  0.0206086400000000, -0.0000000000000000 ]  - [   0.0001852300000000,  0.0206247800000000, -0.0000000000000000 ]  - [  -0.0001852300000000,  0.0206247800000000, -0.0000000000000000 ]  - [   0.0000416600000000, -0.0202035400000000,  0.0000902400000000 ]  - [  -0.0000416600000000, -0.0202035400000000,  0.0000902400000000 ]  - [   0.0000323800000000, -0.0208382500000000, -0.0000161200000000 ]  - [  -0.0000323800000000, -0.0208382500000000, -0.0000161200000000 ]  - [   0.0000416600000000, -0.0202035400000000, -0.0000902400000000 ]  - [  -0.0000416600000000, -0.0202035400000000, -0.0000902400000000 ]  - [   0.0000323800000000, -0.0208382500000000,  0.0000161200000000 ]  - [  -0.0000323800000000, -0.0208382500000000,  0.0000161200000000 ]  - [  -0.0000000000000000, -0.0387405100000000, -0.0338690800000000 ]  - [  -0.0000000000000000, -0.0000277300000000, -0.0000469400000000 ]  - [  -0.0000000000000000,  0.0001238700000000,  0.0001228700000000 ]  - [  -0.0000000000000000,  0.0000490700000000,  0.0000394800000000 ]  - [  -0.0000000000000000, -0.0003294200000000,  0.0004160200000000 ]  - [  -0.0000000000000000,  0.0000160200000000, -0.0000186600000000 ]  - [  -0.0000000000000000,  0.0012227800000000,  0.0001404300000000 ]  - [  -0.0000000000000000,  0.0000323300000000,  0.0000325800000000 ]  - [  -0.0000000000000000, -0.0003294200000000, -0.0004160200000000 ]  - [  -0.0000000000000000,  0.0000160200000000,  0.0000186600000000 ]  - [  -0.0000000000000000,  0.0012227800000000, -0.0001404300000000 ]  - [  -0.0000000000000000,  0.0000323300000000, -0.0000325800000000 ]  - [  -0.0000000000000000, -0.0387405100000000,  0.0338690800000000 ]  - [  -0.0000000000000000, -0.0000277300000000,  0.0000469400000000 ]  - [  -0.0000000000000000,  0.0001238700000000, -0.0001228700000000 ]  - [  -0.0000000000000000,  0.0000490700000000, -0.0000394800000000 ]  - [  -0.0000515200000000,  0.0000997100000000,  0.0001080100000000 ]  - [   0.0000515200000000,  0.0000997100000000,  0.0001080100000000 ]  - [   0.0005180300000000, -0.0001463900000000, -0.0000297900000000 ]  - [  -0.0005180300000000, -0.0001463900000000, -0.0000297900000000 ]  - [  -0.0000827600000000,  0.0000123100000000,  0.0000544000000000 ]  - [   0.0000827600000000,  0.0000123100000000,  0.0000544000000000 ]  - [  -0.0000661600000000, -0.0000031000000000,  0.0000305800000000 ]  - [   0.0000661600000000, -0.0000031000000000,  0.0000305800000000 ]  - [  -0.0000827600000000,  0.0000123100000000, -0.0000544000000000 ]  - [   0.0000827600000000,  0.0000123100000000, -0.0000544000000000 ]  - [  -0.0000661600000000, -0.0000031000000000, -0.0000305800000000 ]  - [   0.0000661600000000, -0.0000031000000000, -0.0000305800000000 ]  - [  -0.0000515200000000,  0.0000997100000000, -0.0001080100000000 ]  - [   0.0000515200000000,  0.0000997100000000, -0.0001080100000000 ]  - [   0.0005180300000000, -0.0001463900000000,  0.0000297900000000 ]  - [  -0.0005180300000000, -0.0001463900000000,  0.0000297900000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0041752100000000, -0.0000825600000000, -0.0000705600000000 ]  - [   0.0037879800000000, -0.0001463600000000,  0.0000095000000000 ]  - [   0.0039035100000000,  0.0000278300000000, -0.0000001900000000 ]  - [   0.0038045200000000,  0.0000018300000000, -0.0000057800000000 ]  - [   0.0034354500000000,  0.0000072200000000, -0.0000691100000000 ]  - [   0.0038194500000000,  0.0000722600000000,  0.0000095800000000 ]  - [   0.0037073900000000, -0.0001021600000000, -0.0000005100000000 ]  - [   0.0038041500000000, -0.0000751000000000, -0.0000057400000000 ]  - [  -0.0037901100000000,  0.0000398900000000,  0.0003558700000000 ]  - [  -0.0038036400000000,  0.0000350800000000,  0.0001526200000000 ]  - [  -0.0038047000000000,  0.0000358100000000,  0.0000048400000000 ]  - [  -0.0038035900000000,  0.0000354100000000,  0.0000107000000000 ]  - [  -0.0038044300000000,  0.0000353900000000, -0.0001975700000000 ]  - [  -0.0038035900000000,  0.0000350100000000, -0.0002362200000000 ]  - [  -0.0038052700000000,  0.0000355000000000,  0.0000008400000000 ]  - [  -0.0038037500000000,  0.0000353700000000, -0.0000154300000000 ]  - [  -0.0041752100000000, -0.0000825600000000, -0.0000705600000000 ]  - [  -0.0037879800000000, -0.0001463600000000,  0.0000095000000000 ]  - [  -0.0039035100000000,  0.0000278300000000, -0.0000001900000000 ]  - [  -0.0038045200000000,  0.0000018300000000, -0.0000057800000000 ]  - [  -0.0034354500000000,  0.0000072200000000, -0.0000691100000000 ]  - [  -0.0038194500000000,  0.0000722600000000,  0.0000095800000000 ]  - [  -0.0037073900000000, -0.0001021600000000, -0.0000005100000000 ]  - [  -0.0038041500000000, -0.0000751000000000, -0.0000057400000000 ]  - [   0.0037901100000000,  0.0000398900000000,  0.0003558700000000 ]  - [   0.0038036400000000,  0.0000350800000000,  0.0001526200000000 ]  - [   0.0038047000000000,  0.0000358100000000,  0.0000048400000000 ]  - [   0.0038035900000000,  0.0000354100000000,  0.0000107000000000 ]  - [   0.0038044300000000,  0.0000353900000000, -0.0001975700000000 ]  - [   0.0038035900000000,  0.0000350100000000, -0.0002362200000000 ]  - [   0.0038052700000000,  0.0000355000000000,  0.0000008400000000 ]  - [   0.0038037500000000,  0.0000353700000000, -0.0000154300000000 ]  - [   0.0044658500000000, -0.0001798600000000,  0.0006657700000000 ]  - [   0.0039343900000000, -0.0000008600000000,  0.0000081000000000 ]  - [   0.0035560400000000, -0.0004010000000000,  0.0000293900000000 ]  - [   0.0038139300000000, -0.0000300900000000,  0.0000021500000000 ]  - [   0.0030918600000000,  0.0001214500000000,  0.0007475900000000 ]  - [   0.0036750100000000, -0.0000749500000000,  0.0000082300000000 ]  - [   0.0040489100000000,  0.0003259800000000,  0.0000284700000000 ]  - [   0.0037952100000000, -0.0000455500000000,  0.0000022700000000 ]  - [  -0.0038037200000000,  0.0000346000000000,  0.0005718000000000 ]  - [  -0.0038049400000000,  0.0000355000000000,  0.0000065200000000 ]  - [  -0.0038111000000000,  0.0000209500000000,  0.0004182200000000 ]  - [  -0.0038046000000000,  0.0000356800000000,  0.0000535400000000 ]  - [  -0.0038044600000000,  0.0000359000000000, -0.0006433200000000 ]  - [  -0.0038053500000000,  0.0000352300000000, -0.0000029500000000 ]  - [  -0.0038025300000000,  0.0000347100000000, -0.0001310600000000 ]  - [  -0.0038045800000000,  0.0000354700000000, -0.0000387200000000 ]  - [  -0.0044658500000000, -0.0001798600000000,  0.0006657700000000 ]  - [  -0.0039343900000000, -0.0000008600000000,  0.0000081000000000 ]  - [  -0.0035560400000000, -0.0004010000000000,  0.0000293900000000 ]  - [  -0.0038139300000000, -0.0000300900000000,  0.0000021500000000 ]  - [  -0.0030918600000000,  0.0001214500000000,  0.0007475900000000 ]  - [  -0.0036750100000000, -0.0000749500000000,  0.0000082300000000 ]  - [  -0.0040489100000000,  0.0003259800000000,  0.0000284700000000 ]  - [  -0.0037952100000000, -0.0000455500000000,  0.0000022700000000 ]  - [   0.0038037200000000,  0.0000346000000000,  0.0005718000000000 ]  - [   0.0038049400000000,  0.0000355000000000,  0.0000065200000000 ]  - [   0.0038111000000000,  0.0000209500000000,  0.0004182200000000 ]  - [   0.0038046000000000,  0.0000356800000000,  0.0000535400000000 ]  - [   0.0038044600000000,  0.0000359000000000, -0.0006433200000000 ]  - [   0.0038053500000000,  0.0000352300000000, -0.0000029500000000 ]  - [   0.0038025300000000,  0.0000347100000000, -0.0001310600000000 ]  - [   0.0038045800000000,  0.0000354700000000, -0.0000387200000000 ]  - [   0.0000000000000000,  0.0215330600000000, -0.0552946300000000 ]  - [   0.0000000000000000,  0.0206035000000000, -0.0001074500000000 ]  - [   0.0000000000000000,  0.0206092200000000, -0.0009771900000000 ]  - [   0.0000000000000000,  0.0206092700000000,  0.0000232300000000 ]  - [   0.0000000000000000,  0.0205914100000000,  0.0004241800000000 ]  - [   0.0000000000000000,  0.0205985100000000,  0.0003845900000000 ]  - [   0.0000000000000000,  0.0205817300000000,  0.0034360700000000 ]  - [   0.0000000000000000,  0.0205875800000000, -0.0000070100000000 ]  - [   0.0000000000000000, -0.0157313100000000,  0.0003163900000000 ]  - [   0.0000000000000000, -0.0205922400000000,  0.0000733200000000 ]  - [   0.0000000000000000, -0.0228364500000000,  0.0004305300000000 ]  - [   0.0000000000000000, -0.0205823200000000,  0.0000301800000000 ]  - [   0.0000000000000000, -0.0254866800000000,  0.0003544800000000 ]  - [   0.0000000000000000, -0.0205926100000000,  0.0000738800000000 ]  - [   0.0000000000000000, -0.0183323600000000,  0.0004124700000000 ]  - [   0.0000000000000000, -0.0205861600000000,  0.0000302100000000 ]  - [   0.0000002700000000,  0.0205807200000000, -0.0002030700000000 ]  - [  -0.0000002700000000,  0.0205807200000000, -0.0002030700000000 ]  - [   0.0000008700000000,  0.0205954200000000, -0.0002032300000000 ]  - [  -0.0000008700000000,  0.0205954200000000, -0.0002032300000000 ]  - [  -0.0000001200000000,  0.0205806900000000,  0.0002694700000000 ]  - [   0.0000001200000000,  0.0205806900000000,  0.0002694700000000 ]  - [   0.0000004300000000,  0.0205935400000000,  0.0002699900000000 ]  - [  -0.0000004300000000,  0.0205935400000000,  0.0002699900000000 ]  - [   0.0006786700000000, -0.0206733400000000,  0.0003638100000000 ]  - [  -0.0006786700000000, -0.0206733400000000,  0.0003638100000000 ]  - [   0.0000603100000000, -0.0205850600000000,  0.0000440000000000 ]  - [  -0.0000603100000000, -0.0205850600000000,  0.0000440000000000 ]  - [  -0.0006796900000000, -0.0204929700000000,  0.0003637800000000 ]  - [   0.0006796900000000, -0.0204929700000000,  0.0003637800000000 ]  - [  -0.0000605400000000, -0.0206104400000000,  0.0000447600000000 ]  - [   0.0000605400000000, -0.0206104400000000,  0.0000447600000000 ]  - [   0.0000000000000000,  0.0242747500000000,  0.0214426200000000 ]  - [   0.0000000000000000,  0.0000113700000000, -0.0000280600000000 ]  - [   0.0000000000000000,  0.0005307200000000,  0.0002710700000000 ]  - [   0.0000000000000000,  0.0000074900000000,  0.0000008800000000 ]  - [   0.0000000000000000, -0.0017345400000000,  0.0012352900000000 ]  - [   0.0000000000000000, -0.0001103300000000, -0.0000091000000000 ]  - [   0.0000000000000000, -0.0005853100000000, -0.0003127900000000 ]  - [   0.0000000000000000,  0.0000005800000000, -0.0000000600000000 ]  - [   0.0000000000000000,  0.0017383400000000,  0.0012359900000000 ]  - [   0.0000000000000000,  0.0001060800000000, -0.0000078300000000 ]  - [   0.0000000000000000,  0.0005962500000000, -0.0003206700000000 ]  - [   0.0000000000000000,  0.0000001700000000, -0.0000017600000000 ]  - [   0.0000000000000000, -0.0251678500000000,  0.0217274900000000 ]  - [   0.0000000000000000, -0.0000149100000000, -0.0000273700000000 ]  - [   0.0000000000000000, -0.0005357700000000,  0.0002673000000000 ]  - [   0.0000000000000000, -0.0000085300000000,  0.0000005800000000 ]  - [  -0.0000258200000000,  0.0000074300000000,  0.0000082300000000 ]  - [   0.0000258200000000,  0.0000074300000000,  0.0000082300000000 ]  - [   0.0002650900000000,  0.0000493300000000,  0.0000795700000000 ]  - [  -0.0002650900000000,  0.0000493300000000,  0.0000795700000000 ]  - [  -0.0000868900000000, -0.0000439000000000, -0.0000123200000000 ]  - [   0.0000868900000000, -0.0000439000000000, -0.0000123200000000 ]  - [  -0.0000505800000000, -0.0002400200000000, -0.0001517300000000 ]  - [   0.0000505800000000, -0.0002400200000000, -0.0001517300000000 ]  - [   0.0000885000000000,  0.0000439600000000, -0.0000144100000000 ]  - [  -0.0000885000000000,  0.0000439600000000, -0.0000144100000000 ]  - [   0.0000523500000000,  0.0002384900000000, -0.0001510200000000 ]  - [  -0.0000523500000000,  0.0002384900000000, -0.0001510200000000 ]  - [   0.0000274400000000, -0.0000070200000000,  0.0000054300000000 ]  - [  -0.0000274400000000, -0.0000070200000000,  0.0000054300000000 ]  - [  -0.0002607400000000, -0.0000517300000000,  0.0000794900000000 ]  - [   0.0002607400000000, -0.0000517300000000,  0.0000794900000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0046317200000000, -0.0002073500000000, -0.0000703800000000 ]  - [   0.0037288000000000, -0.0000583000000000, -0.0000134900000000 ]  - [   0.0038476300000000, -0.0000465900000000,  0.0000004000000000 ]  - [   0.0037510400000000, -0.0000375700000000, -0.0000068000000000 ]  - [   0.0039038800000000, -0.0000746200000000,  0.0000024500000000 ]  - [   0.0037528800000000, -0.0000326500000000,  0.0000347900000000 ]  - [   0.0038435300000000, -0.0000610000000000, -0.0000337500000000 ]  - [   0.0037502300000000, -0.0000237600000000,  0.0000139200000000 ]  - [  -0.0030304000000000, -0.0001206000000000, -0.0000465400000000 ]  - [  -0.0038794700000000,  0.0000130000000000, -0.0000135200000000 ]  - [  -0.0037598400000000,  0.0000258000000000,  0.0000007900000000 ]  - [  -0.0038558000000000,  0.0000351700000000, -0.0000063400000000 ]  - [  -0.0037035300000000, -0.0000028600000000,  0.0000041300000000 ]  - [  -0.0038543500000000,  0.0000392300000000,  0.0000354500000000 ]  - [  -0.0037624700000000,  0.0000109100000000, -0.0000343700000000 ]  - [  -0.0038569600000000,  0.0000479900000000,  0.0000134100000000 ]  - [  -0.0030304000000000,  0.0001206000000000,  0.0000465400000000 ]  - [  -0.0038794700000000, -0.0000130000000000,  0.0000135200000000 ]  - [  -0.0037598400000000, -0.0000258000000000, -0.0000007900000000 ]  - [  -0.0038558000000000, -0.0000351700000000,  0.0000063400000000 ]  - [  -0.0037035300000000,  0.0000028600000000, -0.0000041300000000 ]  - [  -0.0038543500000000, -0.0000392300000000, -0.0000354500000000 ]  - [  -0.0037624700000000, -0.0000109100000000,  0.0000343700000000 ]  - [  -0.0038569600000000, -0.0000479900000000, -0.0000134100000000 ]  - [   0.0046317200000000,  0.0002073500000000,  0.0000703800000000 ]  - [   0.0037288000000000,  0.0000583000000000,  0.0000134900000000 ]  - [   0.0038476300000000,  0.0000465900000000, -0.0000004000000000 ]  - [   0.0037510400000000,  0.0000375700000000,  0.0000068000000000 ]  - [   0.0039038800000000,  0.0000746200000000, -0.0000024500000000 ]  - [   0.0037528800000000,  0.0000326500000000, -0.0000347900000000 ]  - [   0.0038435300000000,  0.0000610000000000,  0.0000337500000000 ]  - [   0.0037502300000000,  0.0000237600000000, -0.0000139200000000 ]  - [   0.0048484700000000, -0.0007824800000000,  0.0005937800000000 ]  - [   0.0037367800000000, -0.0000442700000000, -0.0000240500000000 ]  - [   0.0039500800000000, -0.0002295600000000,  0.0003222100000000 ]  - [   0.0037458600000000, -0.0000319400000000, -0.0000062900000000 ]  - [   0.0038384200000000, -0.0002395800000000,  0.0004587600000000 ]  - [   0.0037389700000000, -0.0000407600000000, -0.0000085600000000 ]  - [   0.0038487500000000, -0.0000511100000000,  0.0000336700000000 ]  - [   0.0037559100000000, -0.0000193100000000, -0.0000149700000000 ]  - [  -0.0027462200000000, -0.0007299600000000,  0.0006060700000000 ]  - [  -0.0038705700000000,  0.0000276600000000, -0.0000238600000000 ]  - [  -0.0036605000000000, -0.0001537200000000,  0.0003232900000000 ]  - [  -0.0038627900000000,  0.0000392300000000, -0.0000062600000000 ]  - [  -0.0037706700000000, -0.0001698100000000,  0.0004564300000000 ]  - [  -0.0038685500000000,  0.0000311800000000, -0.0000084400000000 ]  - [  -0.0037587400000000,  0.0000218000000000,  0.0000331100000000 ]  - [  -0.0038514000000000,  0.0000525400000000, -0.0000147900000000 ]  - [  -0.0027462200000000,  0.0007299600000000, -0.0006060700000000 ]  - [  -0.0038705700000000, -0.0000276600000000,  0.0000238600000000 ]  - [  -0.0036605000000000,  0.0001537200000000, -0.0003232900000000 ]  - [  -0.0038627900000000, -0.0000392300000000,  0.0000062600000000 ]  - [  -0.0037706700000000,  0.0001698100000000, -0.0004564300000000 ]  - [  -0.0038685500000000, -0.0000311800000000,  0.0000084400000000 ]  - [  -0.0037587400000000, -0.0000218000000000, -0.0000331100000000 ]  - [  -0.0038514000000000, -0.0000525400000000,  0.0000147900000000 ]  - [   0.0048484700000000,  0.0007824800000000, -0.0005937800000000 ]  - [   0.0037367800000000,  0.0000442700000000,  0.0000240500000000 ]  - [   0.0039500800000000,  0.0002295600000000, -0.0003222100000000 ]  - [   0.0037458600000000,  0.0000319400000000,  0.0000062900000000 ]  - [   0.0038384200000000,  0.0002395800000000, -0.0004587600000000 ]  - [   0.0037389700000000,  0.0000407600000000,  0.0000085600000000 ]  - [   0.0038487500000000,  0.0000511100000000, -0.0000336700000000 ]  - [   0.0037559100000000,  0.0000193100000000,  0.0000149700000000 ]  - [   0.0044109100000000,  0.0204761200000000, -0.0000579100000000 ]  - [   0.0000861800000000,  0.0205795400000000, -0.0000001000000000 ]  - [  -0.0000492900000000,  0.0205844300000000, -0.0000002100000000 ]  - [   0.0000462200000000,  0.0205821500000000, -0.0000002600000000 ]  - [  -0.0001075400000000,  0.0205804800000000,  0.0000021700000000 ]  - [   0.0001323500000000,  0.0205813000000000, -0.0000008500000000 ]  - [  -0.0001682000000000,  0.0205870700000000,  0.0000024500000000 ]  - [   0.0000500700000000,  0.0205817500000000, -0.0000006100000000 ]  - [   0.0044109100000000, -0.0204761200000000,  0.0000579100000000 ]  - [   0.0000861800000000, -0.0205795400000000,  0.0000001000000000 ]  - [  -0.0000492900000000, -0.0205844300000000,  0.0000002100000000 ]  - [   0.0000462200000000, -0.0205821500000000,  0.0000002600000000 ]  - [  -0.0001075400000000, -0.0205804800000000, -0.0000021700000000 ]  - [   0.0001323500000000, -0.0205813000000000,  0.0000008500000000 ]  - [  -0.0001682000000000, -0.0205870700000000, -0.0000024500000000 ]  - [   0.0000500700000000, -0.0205817500000000,  0.0000006100000000 ]  - [   0.0005604200000000,  0.0210937600000000, -0.0002608300000000 ]  - [   0.0005663400000000,  0.0200614000000000,  0.0002639500000000 ]  - [   0.0000371100000000,  0.0205292600000000,  0.0000264800000000 ]  - [   0.0000358000000000,  0.0206289800000000, -0.0000271400000000 ]  - [   0.0000683600000000,  0.0205153800000000,  0.0000521600000000 ]  - [   0.0000668000000000,  0.0206499500000000, -0.0000505800000000 ]  - [  -0.0000792600000000,  0.0204982900000000,  0.0000871800000000 ]  - [  -0.0000790400000000,  0.0206653800000000, -0.0000878600000000 ]  - [   0.0005604200000000, -0.0210937600000000,  0.0002608300000000 ]  - [   0.0005663400000000, -0.0200614000000000, -0.0002639500000000 ]  - [   0.0000371100000000, -0.0205292600000000, -0.0000264800000000 ]  - [   0.0000358000000000, -0.0206289800000000,  0.0000271400000000 ]  - [   0.0000683600000000, -0.0205153800000000, -0.0000521600000000 ]  - [   0.0000668000000000, -0.0206499500000000,  0.0000505800000000 ]  - [  -0.0000792600000000, -0.0204982900000000, -0.0000871800000000 ]  - [  -0.0000790400000000, -0.0206653800000000,  0.0000878600000000 ]  - [  -0.0180177700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000978300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002858500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000729400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002964400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001227300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007494300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000489400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014555400000000, -0.0000113500000000,  0.0000367200000000 ]  - [   0.0000856200000000, -0.0000038500000000,  0.0000030800000000 ]  - [   0.0001484100000000, -0.0000014300000000,  0.0000014400000000 ]  - [   0.0000330300000000,  0.0000020400000000, -0.0000020900000000 ]  - [  -0.0014555400000000,  0.0000113500000000, -0.0000367200000000 ]  - [   0.0000856200000000,  0.0000038500000000, -0.0000030800000000 ]  - [   0.0001484100000000,  0.0000014300000000, -0.0000014400000000 ]  - [   0.0000330300000000, -0.0000020400000000,  0.0000020900000000 ]  - [   0.0002312700000000,  0.0000488200000000, -0.0000609400000000 ]  - [   0.0002347600000000, -0.0000507300000000,  0.0000604600000000 ]  - [   0.0002312700000000, -0.0000488200000000,  0.0000609400000000 ]  - [   0.0002347600000000,  0.0000507300000000, -0.0000604600000000 ]  - [   0.0000377600000000, -0.0000068500000000, -0.0000277000000000 ]  - [   0.0000380300000000,  0.0000088900000000,  0.0000282800000000 ]  - [   0.0000377600000000,  0.0000068500000000,  0.0000277000000000 ]  - [   0.0000380300000000, -0.0000088900000000, -0.0000282800000000 ]  - [   0.0001752300000000,  0.0000304300000000, -0.0000020800000000 ]  - [   0.0001726400000000, -0.0000281700000000,  0.0000024000000000 ]  - [   0.0001731200000000,  0.0001744300000000, -0.0000838200000000 ]  - [   0.0001748300000000, -0.0001779100000000,  0.0000843600000000 ]  - [   0.0001731200000000, -0.0001744300000000,  0.0000838200000000 ]  - [   0.0001748300000000,  0.0001779100000000, -0.0000843600000000 ]  - [   0.0001752300000000, -0.0000304300000000,  0.0000020800000000 ]  - [   0.0001726400000000,  0.0000281700000000, -0.0000024000000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0020596400000000, -0.0000591100000000,  0.0000758500000000 ]  - [   0.0038297800000000, -0.0000315300000000, -0.0000408700000000 ]  - [   0.0038048200000000, -0.0000099200000000, -0.0000106300000000 ]  - [   0.0037916700000000, -0.0000029000000000, -0.0000224500000000 ]  - [   0.0039920600000000, -0.0001064200000000,  0.0000939100000000 ]  - [   0.0038062500000000, -0.0000851200000000,  0.0000624100000000 ]  - [   0.0038077700000000,  0.0000012400000000,  0.0000096600000000 ]  - [   0.0037920000000000, -0.0000074000000000,  0.0000201800000000 ]  - [  -0.0055710100000000,  0.0000109000000000,  0.0000841000000000 ]  - [  -0.0037770700000000,  0.0000393800000000, -0.0000410500000000 ]  - [  -0.0038028100000000,  0.0000612500000000, -0.0000106400000000 ]  - [  -0.0038155800000000,  0.0000680700000000, -0.0000226400000000 ]  - [  -0.0036168300000000, -0.0000351900000000,  0.0000941300000000 ]  - [  -0.0038003300000000, -0.0000139700000000,  0.0000626100000000 ]  - [  -0.0037985200000000,  0.0000727000000000,  0.0000097600000000 ]  - [  -0.0038150000000000,  0.0000639700000000,  0.0000202800000000 ]  - [  -0.0020596400000000, -0.0000591100000000,  0.0000758500000000 ]  - [  -0.0038297800000000, -0.0000315300000000, -0.0000408700000000 ]  - [  -0.0038048200000000, -0.0000099200000000, -0.0000106300000000 ]  - [  -0.0037916700000000, -0.0000029000000000, -0.0000224500000000 ]  - [  -0.0039920600000000, -0.0001064200000000,  0.0000939100000000 ]  - [  -0.0038062500000000, -0.0000851200000000,  0.0000624100000000 ]  - [  -0.0038077700000000,  0.0000012400000000,  0.0000096600000000 ]  - [  -0.0037920000000000, -0.0000074000000000,  0.0000201800000000 ]  - [   0.0055710100000000,  0.0000109000000000,  0.0000841000000000 ]  - [   0.0037770700000000,  0.0000393800000000, -0.0000410500000000 ]  - [   0.0038028100000000,  0.0000612500000000, -0.0000106400000000 ]  - [   0.0038155800000000,  0.0000680700000000, -0.0000226400000000 ]  - [   0.0036168300000000, -0.0000351900000000,  0.0000941300000000 ]  - [   0.0038003300000000, -0.0000139700000000,  0.0000626100000000 ]  - [   0.0037985200000000,  0.0000727000000000,  0.0000097600000000 ]  - [   0.0038150000000000,  0.0000639700000000,  0.0000202800000000 ]  - [   0.0025139600000000,  0.0014728800000000, -0.0021270700000000 ]  - [   0.0037976400000000, -0.0000511500000000, -0.0000113900000000 ]  - [   0.0039310500000000,  0.0006522700000000, -0.0000457600000000 ]  - [   0.0037657400000000, -0.0000403900000000, -0.0000081500000000 ]  - [   0.0033776600000000,  0.0001011800000000,  0.0009648300000000 ]  - [   0.0038596000000000, -0.0000268500000000, -0.0000047500000000 ]  - [   0.0037557400000000, -0.0001647000000000,  0.0000047500000000 ]  - [   0.0038033000000000, -0.0000305000000000,  0.0000167400000000 ]  - [  -0.0050493800000000,  0.0014862100000000, -0.0020749600000000 ]  - [  -0.0038099800000000,  0.0000211300000000, -0.0000115000000000 ]  - [  -0.0036747800000000,  0.0007297000000000, -0.0000411200000000 ]  - [  -0.0038423700000000,  0.0000313100000000, -0.0000080600000000 ]  - [  -0.0042296900000000,  0.0001691200000000,  0.0009631600000000 ]  - [  -0.0037484400000000,  0.0000450200000000, -0.0000046900000000 ]  - [  -0.0038506100000000, -0.0000914400000000,  0.0000044100000000 ]  - [  -0.0038050700000000,  0.0000412000000000,  0.0000164000000000 ]  - [  -0.0025139600000000,  0.0014728800000000, -0.0021270700000000 ]  - [  -0.0037976400000000, -0.0000511500000000, -0.0000113900000000 ]  - [  -0.0039310500000000,  0.0006522700000000, -0.0000457600000000 ]  - [  -0.0037657400000000, -0.0000403900000000, -0.0000081500000000 ]  - [  -0.0033776600000000,  0.0001011800000000,  0.0009648300000000 ]  - [  -0.0038596000000000, -0.0000268500000000, -0.0000047500000000 ]  - [  -0.0037557400000000, -0.0001647000000000,  0.0000047500000000 ]  - [  -0.0038033000000000, -0.0000305000000000,  0.0000167400000000 ]  - [   0.0050493800000000,  0.0014862100000000, -0.0020749600000000 ]  - [   0.0038099800000000,  0.0000211300000000, -0.0000115000000000 ]  - [   0.0036747800000000,  0.0007297000000000, -0.0000411200000000 ]  - [   0.0038423700000000,  0.0000313100000000, -0.0000080600000000 ]  - [   0.0042296900000000,  0.0001691200000000,  0.0009631600000000 ]  - [   0.0037484400000000,  0.0000450200000000, -0.0000046900000000 ]  - [   0.0038506100000000, -0.0000914400000000,  0.0000044100000000 ]  - [   0.0038050700000000,  0.0000412000000000,  0.0000164000000000 ]  - [   0.0000000000000000,  0.0593108400000000,  0.0253834900000000 ]  - [   0.0000000000000000,  0.0206074100000000,  0.0000135300000000 ]  - [   0.0000000000000000,  0.0204585800000000,  0.0005324000000000 ]  - [   0.0000000000000000,  0.0205420300000000,  0.0000084500000000 ]  - [   0.0000000000000000,  0.0209038300000000, -0.0017435400000000 ]  - [   0.0000000000000000,  0.0205765400000000, -0.0001087600000000 ]  - [   0.0000000000000000,  0.0193583900000000, -0.0005852400000000 ]  - [   0.0000000000000000,  0.0205485000000000, -0.0000003500000000 ]  - [   0.0000000000000000,  0.0167622700000000,  0.0240707900000000 ]  - [   0.0000000000000000, -0.0205626300000000,  0.0000125700000000 ]  - [   0.0000000000000000, -0.0207002000000000,  0.0005357200000000 ]  - [   0.0000000000000000, -0.0206322600000000,  0.0000095400000000 ]  - [   0.0000000000000000, -0.0202404600000000, -0.0017280200000000 ]  - [   0.0000000000000000, -0.0206140500000000, -0.0001070700000000 ]  - [   0.0000000000000000, -0.0218035600000000, -0.0005992300000000 ]  - [   0.0000000000000000, -0.0206250600000000, -0.0000002000000000 ]  - [   0.0002695600000000,  0.0207272300000000,  0.0000503900000000 ]  - [  -0.0002695600000000,  0.0207272300000000,  0.0000503900000000 ]  - [   0.0000623700000000,  0.0204981800000000,  0.0000073000000000 ]  - [  -0.0000623700000000,  0.0204981800000000,  0.0000073000000000 ]  - [  -0.0002392000000000,  0.0205904000000000, -0.0002395500000000 ]  - [   0.0002392000000000,  0.0205904000000000, -0.0002395500000000 ]  - [  -0.0000135700000000,  0.0205681900000000, -0.0000439900000000 ]  - [   0.0000135700000000,  0.0205681900000000, -0.0000439900000000 ]  - [  -0.0002710100000000, -0.0204263900000000,  0.0000504300000000 ]  - [   0.0002710100000000, -0.0204263900000000,  0.0000504300000000 ]  - [  -0.0000616400000000, -0.0206831200000000,  0.0000085000000000 ]  - [   0.0000616400000000, -0.0206831200000000,  0.0000085000000000 ]  - [   0.0002395200000000, -0.0205725500000000, -0.0002393400000000 ]  - [  -0.0002395200000000, -0.0205725500000000, -0.0002393400000000 ]  - [   0.0000134900000000, -0.0205958200000000, -0.0000448700000000 ]  - [  -0.0000134900000000, -0.0205958200000000, -0.0000448700000000 ]  - [   0.0000000000000000, -0.0782486900000000, -0.0528218600000000 ]  - [   0.0000000000000000, -0.0000024900000000,  0.0000210300000000 ]  - [   0.0000000000000000, -0.0000008300000000, -0.0002097300000000 ]  - [   0.0000000000000000,  0.0000167300000000, -0.0000082200000000 ]  - [   0.0000000000000000,  0.0021634500000000,  0.0013359100000000 ]  - [   0.0000000000000000,  0.0000995200000000, -0.0000105600000000 ]  - [   0.0000000000000000,  0.0006507400000000, -0.0001824800000000 ]  - [   0.0000000000000000,  0.0000138100000000,  0.0000059200000000 ]  - [   0.0000000000000000, -0.0037996800000000,  0.0056222100000000 ]  - [   0.0000000000000000, -0.0000589100000000,  0.0000181000000000 ]  - [   0.0000000000000000,  0.0001175000000000, -0.0001268900000000 ]  - [   0.0000000000000000,  0.0000274900000000, -0.0000025300000000 ]  - [   0.0000000000000000, -0.0038106900000000,  0.0055116100000000 ]  - [   0.0000000000000000, -0.0000548100000000,  0.0000150900000000 ]  - [   0.0000000000000000,  0.0001102100000000, -0.0001311900000000 ]  - [   0.0000000000000000,  0.0000239600000000,  0.0000000800000000 ]  - [   0.0000478100000000,  0.0000240100000000, -0.0000164800000000 ]  - [  -0.0000478100000000,  0.0000240100000000, -0.0000164800000000 ]  - [  -0.0000484800000000,  0.0000299300000000, -0.0000122300000000 ]  - [   0.0000484800000000,  0.0000299300000000, -0.0000122300000000 ]  - [  -0.0000076300000000,  0.0000994600000000,  0.0000444500000000 ]  - [   0.0000076300000000,  0.0000994600000000,  0.0000444500000000 ]  - [   0.0000078900000000,  0.0001013600000000,  0.0000463600000000 ]  - [  -0.0000078900000000,  0.0001013600000000,  0.0000463600000000 ]  - [  -0.0001763400000000, -0.0000615100000000, -0.0000212800000000 ]  - [   0.0001763400000000, -0.0000615100000000, -0.0000212800000000 ]  - [  -0.0000284800000000, -0.0000562300000000,  0.0000230600000000 ]  - [   0.0000284800000000, -0.0000562300000000,  0.0000230600000000 ]  - [   0.0000287400000000, -0.0000617500000000,  0.0000273900000000 ]  - [  -0.0000287400000000, -0.0000617500000000,  0.0000273900000000 ]  - [   0.0001775600000000, -0.0000610600000000, -0.0000228700000000 ]  - [  -0.0001775600000000, -0.0000610600000000, -0.0000228700000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0019711200000000,  0.0000436800000000,  0.0004176200000000 ]  - [   0.0038284400000000, -0.0000794400000000,  0.0000063800000000 ]  - [   0.0038154000000000,  0.0000210600000000, -0.0000085400000000 ]  - [   0.0037951000000000,  0.0000175500000000, -0.0000153400000000 ]  - [   0.0039567800000000, -0.0001712000000000,  0.0001388800000000 ]  - [   0.0037999900000000, -0.0000825100000000, -0.0000011100000000 ]  - [   0.0038086300000000,  0.0000077000000000,  0.0000126100000000 ]  - [   0.0037949200000000, -0.0000007500000000,  0.0000179500000000 ]  - [  -0.0056600000000000,  0.0001242900000000,  0.0004182600000000 ]  - [  -0.0037786800000000, -0.0000074900000000,  0.0000061700000000 ]  - [  -0.0037917100000000,  0.0000927600000000, -0.0000082700000000 ]  - [  -0.0038124400000000,  0.0000892100000000, -0.0000156200000000 ]  - [  -0.0036534000000000, -0.0000965500000000,  0.0001390800000000 ]  - [  -0.0038067900000000, -0.0000100900000000, -0.0000006500000000 ]  - [  -0.0037969600000000,  0.0000796000000000,  0.0000122700000000 ]  - [  -0.0038130200000000,  0.0000710100000000,  0.0000178500000000 ]  - [  -0.0019711200000000,  0.0000436800000000,  0.0004176200000000 ]  - [  -0.0038284400000000, -0.0000794400000000,  0.0000063800000000 ]  - [  -0.0038154000000000,  0.0000210600000000, -0.0000085400000000 ]  - [  -0.0037951000000000,  0.0000175500000000, -0.0000153400000000 ]  - [  -0.0039567800000000, -0.0001712000000000,  0.0001388800000000 ]  - [  -0.0037999900000000, -0.0000825100000000, -0.0000011100000000 ]  - [  -0.0038086300000000,  0.0000077000000000,  0.0000126100000000 ]  - [  -0.0037949200000000, -0.0000007500000000,  0.0000179500000000 ]  - [   0.0056600000000000,  0.0001242900000000,  0.0004182600000000 ]  - [   0.0037786800000000, -0.0000074900000000,  0.0000061700000000 ]  - [   0.0037917100000000,  0.0000927600000000, -0.0000082700000000 ]  - [   0.0038124400000000,  0.0000892100000000, -0.0000156200000000 ]  - [   0.0036534000000000, -0.0000965500000000,  0.0001390800000000 ]  - [   0.0038067900000000, -0.0000100900000000, -0.0000006500000000 ]  - [   0.0037969600000000,  0.0000796000000000,  0.0000122700000000 ]  - [   0.0038130200000000,  0.0000710100000000,  0.0000178500000000 ]  - [   0.0042532200000000, -0.0011320000000000, -0.0001051500000000 ]  - [   0.0038286400000000, -0.0000362900000000,  0.0000096900000000 ]  - [   0.0041008700000000,  0.0003639600000000, -0.0000032500000000 ]  - [   0.0037615800000000, -0.0000425900000000, -0.0000037300000000 ]  - [   0.0037720000000000,  0.0002020100000000,  0.0003850300000000 ]  - [   0.0038351000000000, -0.0000425300000000, -0.0000094800000000 ]  - [   0.0037712000000000, -0.0000591200000000,  0.0000106000000000 ]  - [   0.0037822300000000, -0.0000225400000000,  0.0000028100000000 ]  - [  -0.0033458300000000, -0.0010858100000000, -0.0001049500000000 ]  - [  -0.0037798700000000,  0.0000357700000000,  0.0000092700000000 ]  - [  -0.0035077700000000,  0.0004357600000000, -0.0000002700000000 ]  - [  -0.0038459800000000,  0.0000303000000000, -0.0000043000000000 ]  - [  -0.0038349200000000,  0.0002631300000000,  0.0003851100000000 ]  - [  -0.0037735700000000,  0.0000298000000000, -0.0000090800000000 ]  - [  -0.0038367500000000,  0.0000163600000000,  0.0000091000000000 ]  - [  -0.0038255900000000,  0.0000506200000000,  0.0000029600000000 ]  - [  -0.0042532200000000, -0.0011320000000000, -0.0001051500000000 ]  - [  -0.0038286400000000, -0.0000362900000000,  0.0000096900000000 ]  - [  -0.0041008700000000,  0.0003639600000000, -0.0000032500000000 ]  - [  -0.0037615800000000, -0.0000425900000000, -0.0000037300000000 ]  - [  -0.0037720000000000,  0.0002020100000000,  0.0003850300000000 ]  - [  -0.0038351000000000, -0.0000425300000000, -0.0000094800000000 ]  - [  -0.0037712000000000, -0.0000591200000000,  0.0000106000000000 ]  - [  -0.0037822300000000, -0.0000225400000000,  0.0000028100000000 ]  - [   0.0033458300000000, -0.0010858100000000, -0.0001049500000000 ]  - [   0.0037798700000000,  0.0000357700000000,  0.0000092700000000 ]  - [   0.0035077700000000,  0.0004357600000000, -0.0000002700000000 ]  - [   0.0038459800000000,  0.0000303000000000, -0.0000043000000000 ]  - [   0.0038349200000000,  0.0002631300000000,  0.0003851100000000 ]  - [   0.0037735700000000,  0.0000298000000000, -0.0000090800000000 ]  - [   0.0038367500000000,  0.0000163600000000,  0.0000091000000000 ]  - [   0.0038255900000000,  0.0000506200000000,  0.0000029600000000 ]  - [   0.0000000000000000,  0.0542899400000000,  0.0217461200000000 ]  - [   0.0000000000000000,  0.0206476100000000, -0.0000298400000000 ]  - [   0.0000000000000000,  0.0204695400000000,  0.0002721600000000 ]  - [   0.0000000000000000,  0.0205582600000000,  0.0000008400000000 ]  - [   0.0000000000000000,  0.0201792900000000,  0.0012222200000000 ]  - [   0.0000000000000000,  0.0206171500000000, -0.0000104300000000 ]  - [   0.0000000000000000,  0.0204614000000000, -0.0003187100000000 ]  - [   0.0000000000000000,  0.0205670100000000, -0.0000035700000000 ]  - [   0.0000000000000000,  0.0121498900000000,  0.0214219100000000 ]  - [   0.0000000000000000, -0.0205540200000000, -0.0000299600000000 ]  - [   0.0000000000000000, -0.0207213300000000,  0.0002650300000000 ]  - [   0.0000000000000000, -0.0206245500000000,  0.0000003000000000 ]  - [   0.0000000000000000, -0.0210101500000000,  0.0012465100000000 ]  - [   0.0000000000000000, -0.0205737300000000, -0.0000094600000000 ]  - [   0.0000000000000000, -0.0207263500000000, -0.0003180300000000 ]  - [   0.0000000000000000, -0.0206274800000000, -0.0000035900000000 ]  - [  -0.0001801800000000,  0.0206177200000000,  0.0000791800000000 ]  - [   0.0001801800000000,  0.0206177200000000,  0.0000791800000000 ]  - [   0.0001053300000000,  0.0204790500000000,  0.0000057300000000 ]  - [  -0.0001053300000000,  0.0204790500000000,  0.0000057300000000 ]  - [  -0.0001226900000000,  0.0205566200000000, -0.0001530200000000 ]  - [   0.0001226900000000,  0.0205566200000000, -0.0001530200000000 ]  - [   0.0000180400000000,  0.0205328000000000, -0.0000146800000000 ]  - [  -0.0000180400000000,  0.0205328000000000, -0.0000146800000000 ]  - [   0.0001786100000000, -0.0205527000000000,  0.0000784300000000 ]  - [  -0.0001786100000000, -0.0205527000000000,  0.0000784300000000 ]  - [  -0.0001062800000000, -0.0206930200000000,  0.0000055200000000 ]  - [   0.0001062800000000, -0.0206930200000000,  0.0000055200000000 ]  - [   0.0001247300000000, -0.0206206300000000, -0.0001533500000000 ]  - [  -0.0001247300000000, -0.0206206300000000, -0.0001533500000000 ]  - [  -0.0000191800000000, -0.0206423200000000, -0.0000144600000000 ]  - [   0.0000191800000000, -0.0206423200000000, -0.0000144600000000 ]  - [   0.0000000000000000, -0.0528119100000000, -0.0853865800000000 ]  - [   0.0000000000000000,  0.0000176300000000, -0.0000196500000000 ]  - [   0.0000000000000000, -0.0002090600000000,  0.0000768500000000 ]  - [   0.0000000000000000, -0.0000080600000000,  0.0000257000000000 ]  - [   0.0000000000000000,  0.0013362600000000, -0.0034972800000000 ]  - [   0.0000000000000000, -0.0000079400000000,  0.0000116300000000 ]  - [   0.0000000000000000, -0.0001836400000000,  0.0001615900000000 ]  - [   0.0000000000000000,  0.0000059500000000,  0.0000244500000000 ]  - [   0.0000000000000000, -0.0055311700000000,  0.0194877700000000 ]  - [   0.0000000000000000, -0.0000180300000000,  0.0000211600000000 ]  - [   0.0000000000000000,  0.0001311000000000,  0.0000086800000000 ]  - [   0.0000000000000000,  0.0000006300000000, -0.0000247200000000 ]  - [   0.0000000000000000, -0.0056034700000000,  0.0204865700000000 ]  - [   0.0000000000000000, -0.0000158800000000,  0.0000209000000000 ]  - [   0.0000000000000000,  0.0001265300000000,  0.0000025800000000 ]  - [   0.0000000000000000,  0.0000018800000000, -0.0000256700000000 ]  - [  -0.0000622000000000, -0.0000129200000000,  0.0000101800000000 ]  - [   0.0000622000000000, -0.0000129200000000,  0.0000101800000000 ]  - [   0.0000621200000000, -0.0000156300000000,  0.0000083600000000 ]  - [  -0.0000621200000000, -0.0000156300000000,  0.0000083600000000 ]  - [  -0.0000281600000000,  0.0000448700000000,  0.0000483100000000 ]  - [   0.0000281600000000,  0.0000448700000000,  0.0000483100000000 ]  - [   0.0000278900000000,  0.0000428000000000,  0.0000461600000000 ]  - [  -0.0000278900000000,  0.0000428000000000,  0.0000461600000000 ]  - [  -0.0000853000000000, -0.0000255000000000, -0.0000192300000000 ]  - [   0.0000853000000000, -0.0000255000000000, -0.0000192300000000 ]  - [  -0.0000015800000000,  0.0000197800000000, -0.0000155700000000 ]  - [   0.0000015800000000,  0.0000197800000000, -0.0000155700000000 ]  - [   0.0000016000000000,  0.0000233300000000, -0.0000184700000000 ]  - [  -0.0000016000000000,  0.0000233300000000, -0.0000184700000000 ]  - [   0.0000844800000000, -0.0000265800000000, -0.0000177300000000 ]  - [  -0.0000844800000000, -0.0000265800000000, -0.0000177300000000 ]