# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/61284961-676e-4005-bb6a-930c41318f0d/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 NaAl11O17 / P6_3/mmc (194) / materials id 3405](https://mdr.nims.go.jp/datasets/3f639609-9408-46c2-a132-72dc900bba5a)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.612983810000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.806491900000000,     4.860986570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.629986429999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.156927920000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.313855830000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.843072080000000,  0.686144170000000,  0.549850600000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.156927920000000,  0.313855830000000,  0.049850600000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.686144170000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.313855830000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.843072080000000,  0.686144170000000,  0.950149400000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.843072080000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.843072080000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.156927920000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.686144170000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.156927920000000,  0.313855830000000,  0.450149400000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.055344830000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.555344830000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.944655170000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.444655170000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.141613490000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.641613490000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.858386510000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.358386510000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.503407210000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.006814420000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.496592790000000,  0.993185580000000,  0.645911110000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.503407210000000,  0.006814420000000,  0.145911110000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.993185580000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.006814420000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.496592790000000,  0.993185580000000,  0.854088890000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.496592790000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.496592790000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.503407210000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.993185580000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.503407210000000,  0.006814420000000,  0.354088890000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 15.999400  - symbol: Na # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 36    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Al # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.024956080000000 ]    mass: 26.981539  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.524956080000000 ]    mass: 26.981539  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.975043920000000 ]    mass: 26.981539  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.475043920000000 ]    mass: 26.981539  - symbol: Al # 43    coordinates: [  0.832628310000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539  - symbol: Al # 44    coordinates: [  0.665256610000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539  - symbol: Al # 45    coordinates: [  0.167371690000000,  0.334743390000000,  0.606657420000000 ]    mass: 26.981539  - symbol: Al # 46    coordinates: [  0.832628310000000,  0.665256610000000,  0.106657420000000 ]    mass: 26.981539  - symbol: Al # 47    coordinates: [  0.334743390000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539  - symbol: Al # 48    coordinates: [  0.665256610000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539  - symbol: Al # 49    coordinates: [  0.167371690000000,  0.334743390000000,  0.893342580000000 ]    mass: 26.981539  - symbol: Al # 50    coordinates: [  0.167371690000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539  - symbol: Al # 51    coordinates: [  0.167371690000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539  - symbol: Al # 52    coordinates: [  0.832628310000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539  - symbol: Al # 53    coordinates: [  0.334743390000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539  - symbol: Al # 54    coordinates: [  0.832628310000000,  0.665256610000000,  0.393342580000000 ]    mass: 26.981539  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.175317820000000 ]    mass: 26.981539  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.675317820000000 ]    mass: 26.981539  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.824682180000000 ]    mass: 26.981539  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.324682180000000 ]    mass: 26.981539  reciprocal_lattice: # without 2pi  - [     0.178158361728822,     0.102859777929649,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.205719556225805,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.044189155972021 ] # c*unit_cell:  lattice:  - [     5.612983810000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.806491900000000,     4.860986570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.629986429999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.156927920000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.313855830000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.843072080000000,  0.686144170000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.156927920000000,  0.313855830000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.686144170000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.313855830000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.843072080000000,  0.686144170000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.843072080000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.843072080000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.156927920000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.686144170000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.156927920000000,  0.313855830000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.055344830000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.555344830000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.944655170000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.444655170000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.141613490000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.641613490000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.858386510000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.358386510000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.503407210000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.006814420000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.496592790000000,  0.993185580000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.503407210000000,  0.006814420000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.993185580000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.006814420000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.496592790000000,  0.993185580000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.496592790000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.496592790000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.503407210000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.993185580000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.503407210000000,  0.006814420000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Al # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 38  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.024956080000000 ]    mass: 26.981539    reduced_to: 39  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.524956080000000 ]    mass: 26.981539    reduced_to: 40  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.975043920000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.475043920000000 ]    mass: 26.981539    reduced_to: 42  - symbol: Al # 43    coordinates: [  0.832628310000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.665256610000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.167371690000000,  0.334743390000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 46    coordinates: [  0.832628310000000,  0.665256610000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 46  - symbol: Al # 47    coordinates: [  0.334743390000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 47  - symbol: Al # 48    coordinates: [  0.665256610000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 48  - symbol: Al # 49    coordinates: [  0.167371690000000,  0.334743390000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.167371690000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.167371690000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.832628310000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 52  - symbol: Al # 53    coordinates: [  0.334743390000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.832628310000000,  0.665256610000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 54  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.175317820000000 ]    mass: 26.981539    reduced_to: 55  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.675317820000000 ]    mass: 26.981539    reduced_to: 56  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.824682180000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.324682180000000 ]    mass: 26.981539    reduced_to: 58supercell:  lattice:  - [     5.612983810000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.806491900000000,     4.860986570000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.629986429999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.156927920000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.313855830000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.843072080000000,  0.686144170000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.156927920000000,  0.313855830000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.686144170000000,  0.843072080000000,  0.049850600000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.313855830000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.843072080000000,  0.686144170000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.843072080000000,  0.156927920000000,  0.549850600000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.843072080000000,  0.156927920000000,  0.950149400000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.156927920000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.686144170000000,  0.843072080000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.156927920000000,  0.313855830000000,  0.450149400000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.055344830000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.555344830000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.944655170000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.444655170000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.141613490000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.641613490000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.858386510000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.358386510000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.503407210000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.006814420000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.496592790000000,  0.993185580000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.503407210000000,  0.006814420000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.993185580000000,  0.496592790000000,  0.145911110000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.006814420000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.496592790000000,  0.993185580000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.496592790000000,  0.503407210000000,  0.645911110000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.496592790000000,  0.503407210000000,  0.854088890000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.503407210000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.993185580000000,  0.496592790000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.503407210000000,  0.006814420000000,  0.354088890000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Al # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 38  - symbol: Al # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.024956080000000 ]    mass: 26.981539    reduced_to: 39  - symbol: Al # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.524956080000000 ]    mass: 26.981539    reduced_to: 40  - symbol: Al # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.975043920000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.475043920000000 ]    mass: 26.981539    reduced_to: 42  - symbol: Al # 43    coordinates: [  0.832628310000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.665256610000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.167371690000000,  0.334743390000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 46    coordinates: [  0.832628310000000,  0.665256610000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 46  - symbol: Al # 47    coordinates: [  0.334743390000000,  0.167371690000000,  0.106657420000000 ]    mass: 26.981539    reduced_to: 47  - symbol: Al # 48    coordinates: [  0.665256610000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 48  - symbol: Al # 49    coordinates: [  0.167371690000000,  0.334743390000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.167371690000000,  0.832628310000000,  0.606657420000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.167371690000000,  0.832628310000000,  0.893342580000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.832628310000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 52  - symbol: Al # 53    coordinates: [  0.334743390000000,  0.167371690000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.832628310000000,  0.665256610000000,  0.393342580000000 ]    mass: 26.981539    reduced_to: 54  - symbol: Al # 55    coordinates: [  0.333333330000000,  0.666666670000000,  0.175317820000000 ]    mass: 26.981539    reduced_to: 55  - symbol: Al # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.675317820000000 ]    mass: 26.981539    reduced_to: 56  - symbol: Al # 57    coordinates: [  0.666666670000000,  0.333333330000000,  0.824682180000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.324682180000000 ]    mass: 26.981539    reduced_to: 58displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1988193500000000,  0.0625637800000000,  0.0116782700000000 ]  - [   0.0000047800000000, -0.0000006200000000, -0.0000986300000000 ]  - [   0.0000033800000000, -0.0000044900000000, -0.0000979300000000 ]  - [   0.0089032200000000, -0.0245638000000000,  0.0015888200000000 ]  - [   0.0489287800000000,  0.0013594500000000,  0.0022000000000000 ]  - [  -0.0036664000000000,  0.0010354400000000, -0.0014787700000000 ]  - [   0.0038030900000000,  0.0032142100000000,  0.0099511400000000 ]  - [  -0.0000054900000000,  0.0000031000000000, -0.0000983500000000 ]  - [   0.0007395300000000, -0.0005846400000000,  0.0009896500000000 ]  - [  -0.0000115500000000,  0.0000058600000000, -0.0000970800000000 ]  - [   0.0000108300000000,  0.0000071600000000, -0.0000966900000000 ]  - [  -0.0000017300000000, -0.0000130100000000, -0.0001006200000000 ]  - [   0.0070103900000000,  0.0183558800000000,  0.0010131300000000 ]  - [  -0.0000004600000000, -0.0000014400000000, -0.0001159500000000 ]  - [   0.0033400900000000, -0.0033268500000000, -0.0073314800000000 ]  - [  -0.0000003000000000,  0.0000016900000000, -0.0001035800000000 ]  - [   0.0099207900000000, -0.0081624700000000, -0.0167913600000000 ]  - [   0.0000008900000000,  0.0000023600000000, -0.0000635600000000 ]  - [  -0.0002075800000000, -0.0007863900000000,  0.0004023400000000 ]  - [  -0.0000012400000000, -0.0000035700000000, -0.0001480600000000 ]  - [   0.0001795200000000,  0.0003879600000000, -0.0003487100000000 ]  - [   0.0000226800000000,  0.0000144500000000, -0.0001091000000000 ]  - [  -0.0000015900000000, -0.0000297400000000, -0.0001106800000000 ]  - [   0.0065900600000000,  0.0042274100000000,  0.0110085900000000 ]  - [  -0.0022431900000000, -0.0014651700000000,  0.0020671900000000 ]  - [  -0.0009096500000000, -0.0001294300000000, -0.0001349700000000 ]  - [   0.0000278900000000,  0.0006069200000000, -0.0004930600000000 ]  - [  -0.0000229100000000,  0.0000126700000000, -0.0001068100000000 ]  - [   0.0014035600000000, -0.0000526800000000, -0.0004021900000000 ]  - [  -0.0000029400000000,  0.0000101600000000, -0.0000506500000000 ]  - [   0.0000024300000000,  0.0000108200000000, -0.0000462500000000 ]  - [  -0.0000006400000000, -0.0000184600000000, -0.0000518300000000 ]  - [   0.0000640500000000, -0.0006300100000000,  0.0003127400000000 ]  - [   0.0000184800000000,  0.0000063800000000, -0.0002862800000000 ]  - [   0.0000944200000000, -0.0003322000000000, -0.0002477900000000 ]  - [   0.0000023300000000,  0.0000255400000000,  0.0000926200000000 ]  - [   0.0296083600000000, -0.0084614000000000,  0.0135002500000000 ]  - [   0.0000004500000000, -0.0000016100000000,  0.0001537700000000 ]  - [   0.0717116700000000, -0.0354287500000000, -0.0281841200000000 ]  - [   0.0000009600000000,  0.0000021400000000,  0.0001683000000000 ]  - [  -0.0008514200000000, -0.0055987900000000,  0.0014147100000000 ]  - [  -0.0000004400000000, -0.0000005700000000,  0.0001143700000000 ]  - [  -0.0080284100000000,  0.0022741300000000, -0.0004679300000000 ]  - [  -0.0000174400000000, -0.0000098300000000,  0.0001536900000000 ]  - [   0.0000020600000000,  0.0000208000000000,  0.0001519100000000 ]  - [   0.0061852400000000, -0.0088105600000000,  0.0028612800000000 ]  - [   0.0167878600000000, -0.0015358900000000, -0.0019981100000000 ]  - [  -0.0037898100000000, -0.0003276800000000, -0.0003340100000000 ]  - [   0.0007219300000000,  0.0023422000000000,  0.0014762200000000 ]  - [   0.0000181600000000, -0.0000097200000000,  0.0001532700000000 ]  - [   0.0035214100000000,  0.0000730400000000,  0.0005139200000000 ]  - [  -0.0000370000000000,  0.0000184000000000,  0.0001139000000000 ]  - [   0.0000360400000000,  0.0000158100000000,  0.0001164300000000 ]  - [   0.0000021900000000, -0.0000380700000000,  0.0001226300000000 ]  - [  -0.0009480600000000,  0.0039404400000000, -0.0025080100000000 ]  - [   0.0000008200000000, -0.0000010300000000,  0.0002153200000000 ]  - [  -0.0000983800000000, -0.0001945100000000, -0.0001299600000000 ]  - [  -0.0000023400000000, -0.0000148500000000,  0.0000980800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1975312000000000, -0.0605236700000000, -0.0090821900000000 ]  - [  -0.0000055800000000, -0.0000066300000000,  0.0000929000000000 ]  - [   0.0000018700000000,  0.0000043700000000,  0.0000923300000000 ]  - [  -0.0088637200000000,  0.0245607600000000, -0.0015822100000000 ]  - [  -0.0492830500000000, -0.0013262900000000, -0.0021717000000000 ]  - [   0.0036487600000000, -0.0011239500000000,  0.0016097800000000 ]  - [  -0.0037771900000000, -0.0032263900000000, -0.0100191800000000 ]  - [   0.0000037500000000, -0.0000028100000000,  0.0000933000000000 ]  - [  -0.0007336800000000,  0.0006016000000000, -0.0010098600000000 ]  - [   0.0000118800000000, -0.0000071700000000,  0.0000967100000000 ]  - [  -0.0000111000000000, -0.0000042700000000,  0.0000986400000000 ]  - [  -0.0000023500000000,  0.0000115200000000,  0.0000977100000000 ]  - [  -0.0070179100000000, -0.0183248200000000, -0.0009618000000000 ]  - [  -0.0000006600000000, -0.0000010000000000,  0.0001207100000000 ]  - [  -0.0033424700000000,  0.0032823000000000,  0.0072271800000000 ]  - [   0.0000002500000000,  0.0000017800000000,  0.0000926600000000 ]  - [  -0.0098413900000000,  0.0082079400000000,  0.0169817100000000 ]  - [   0.0000006200000000,  0.0000014400000000,  0.0000665900000000 ]  - [   0.0002128200000000,  0.0007870600000000, -0.0004019200000000 ]  - [  -0.0000009600000000, -0.0000006000000000,  0.0001417100000000 ]  - [  -0.0001821600000000, -0.0004061200000000,  0.0003499400000000 ]  - [  -0.0000260300000000, -0.0000129700000000,  0.0000763100000000 ]  - [  -0.0000004400000000,  0.0000253800000000,  0.0000779500000000 ]  - [  -0.0066144700000000, -0.0041722900000000, -0.0109199500000000 ]  - [   0.0022068600000000,  0.0015495200000000, -0.0021931800000000 ]  - [   0.0009061500000000,  0.0001314100000000,  0.0001485300000000 ]  - [  -0.0000352800000000, -0.0005972400000000,  0.0005154000000000 ]  - [   0.0000254000000000, -0.0000133200000000,  0.0000773200000000 ]  - [  -0.0013973400000000,  0.0000403600000000,  0.0004287800000000 ]  - [  -0.0000024800000000, -0.0000073000000000,  0.0000791800000000 ]  - [   0.0000011600000000, -0.0000119300000000,  0.0000715800000000 ]  - [   0.0000032100000000,  0.0000223600000000,  0.0000777200000000 ]  - [  -0.0000684000000000,  0.0006253500000000, -0.0003191600000000 ]  - [  -0.0000215100000000, -0.0000055500000000,  0.0002802000000000 ]  - [  -0.0000886500000000,  0.0003246700000000,  0.0002508100000000 ]  - [  -0.0000134900000000, -0.0000195100000000, -0.0000897600000000 ]  - [  -0.0312006400000000,  0.0094773600000000, -0.0150016000000000 ]  - [  -0.0000007400000000,  0.0000007300000000, -0.0001489500000000 ]  - [  -0.0677579100000000,  0.0327186500000000,  0.0264064300000000 ]  - [  -0.0000015800000000,  0.0000040000000000, -0.0001102800000000 ]  - [   0.0008933400000000,  0.0055610700000000, -0.0014468500000000 ]  - [   0.0000021700000000, -0.0000021700000000, -0.0001638900000000 ]  - [   0.0079927700000000, -0.0023657500000000,  0.0003870900000000 ]  - [   0.0000043800000000,  0.0000027600000000, -0.0001055500000000 ]  - [  -0.0000015100000000, -0.0000066200000000, -0.0001048600000000 ]  - [  -0.0069630600000000,  0.0083963700000000, -0.0022342000000000 ]  - [  -0.0167923500000000,  0.0016303600000000,  0.0020637900000000 ]  - [   0.0037648900000000,  0.0003282500000000,  0.0003156200000000 ]  - [  -0.0007596800000000, -0.0023068900000000, -0.0015137800000000 ]  - [  -0.0000043600000000,  0.0000028700000000, -0.0001054600000000 ]  - [  -0.0034938300000000, -0.0001130200000000, -0.0005598300000000 ]  - [   0.0000252000000000, -0.0000114300000000, -0.0001536500000000 ]  - [  -0.0000253600000000, -0.0000073500000000, -0.0001570700000000 ]  - [  -0.0000039900000000,  0.0000243100000000, -0.0001631700000000 ]  - [   0.0009904600000000, -0.0039260400000000,  0.0024721700000000 ]  - [  -0.0000024300000000,  0.0000018000000000, -0.0002082900000000 ]  - [   0.0001046000000000,  0.0001948900000000,  0.0001306200000000 ]  - [   0.0000059800000000,  0.0000118300000000, -0.0000930100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0112684700000000, -0.0065058500000000, -0.1531317700000000 ]  - [  -0.0000973700000000, -0.0000589600000000,  0.0027050400000000 ]  - [   0.0000023800000000,  0.0001138000000000,  0.0027050400000000 ]  - [  -0.0005886300000000,  0.0021482900000000, -0.0169606900000000 ]  - [  -0.0021547900000000, -0.0005643700000000, -0.0169606900000000 ]  - [   0.0015325400000000, -0.0123192100000000,  0.0103584100000000 ]  - [   0.0114350200000000,  0.0048323900000000,  0.0103584100000000 ]  - [   0.0000967300000000, -0.0000558400000000,  0.0027023800000000 ]  - [   0.0009980900000000, -0.0005762500000000, -0.0053892000000000 ]  - [   0.0000946100000000, -0.0000546200000000,  0.0027166300000000 ]  - [  -0.0000953100000000, -0.0000547100000000,  0.0027054500000000 ]  - [  -0.0000002700000000,  0.0001099000000000,  0.0027054500000000 ]  - [   0.0003361300000000, -0.0001940600000000, -0.0186490800000000 ]  - [   0.0000003600000000, -0.0000002100000000,  0.0032254600000000 ]  - [  -0.0063281100000000,  0.0036535400000000,  0.0052762300000000 ]  - [  -0.0000030800000000,  0.0000017800000000,  0.0032044700000000 ]  - [  -0.0204846900000000,  0.0118268400000000,  0.0127610200000000 ]  - [  -0.0000015200000000,  0.0000008700000000,  0.0021613800000000 ]  - [   0.0007738300000000, -0.0004467700000000,  0.0014142800000000 ]  - [   0.0000103000000000, -0.0000059500000000,  0.0022403900000000 ]  - [   0.0004786400000000, -0.0002763400000000, -0.0051430700000000 ]  - [  -0.0005610600000000, -0.0003268300000000,  0.0026491900000000 ]  - [   0.0000025100000000,  0.0006493100000000,  0.0026491900000000 ]  - [   0.0099964300000000,  0.0056425000000000,  0.0069961800000000 ]  - [   0.0001116600000000, -0.0114784100000000,  0.0069961800000000 ]  - [   0.0004380600000000,  0.0007556300000000,  0.0020547100000000 ]  - [  -0.0004353700000000, -0.0007571800000000,  0.0020547100000000 ]  - [   0.0005598300000000, -0.0003232200000000,  0.0026499400000000 ]  - [  -0.0006777700000000,  0.0003913100000000,  0.0047260100000000 ]  - [   0.0005412600000000, -0.0003125000000000,  0.0026530800000000 ]  - [  -0.0005405300000000, -0.0002888500000000,  0.0026775100000000 ]  - [  -0.0000201200000000,  0.0006125400000000,  0.0026775100000000 ]  - [   0.0004664000000000, -0.0002692800000000,  0.0047983600000000 ]  - [  -0.0001597000000000,  0.0000922000000000,  0.0054483300000000 ]  - [   0.0005715800000000, -0.0003300000000000, -0.0028309200000000 ]  - [  -0.0000953100000000,  0.0000550300000000, -0.0028420100000000 ]  - [   0.0089435500000000, -0.0051635600000000,  0.0422504300000000 ]  - [   0.0000021000000000, -0.0000012100000000, -0.0042067300000000 ]  - [  -0.0195446200000000,  0.0112840900000000,  0.0397271800000000 ]  - [  -0.0000010200000000,  0.0000005900000000, -0.0040681200000000 ]  - [   0.0031569800000000, -0.0018226800000000,  0.0143441400000000 ]  - [  -0.0000012600000000,  0.0000007300000000, -0.0041273200000000 ]  - [   0.0018602500000000, -0.0010740100000000,  0.0239735800000000 ]  - [   0.0002856600000000,  0.0001655000000000, -0.0036846200000000 ]  - [  -0.0000005000000000, -0.0003301300000000, -0.0036846200000000 ]  - [   0.0069497900000000,  0.0057107400000000,  0.0253557300000000 ]  - [  -0.0014707500000000, -0.0088740600000000,  0.0253557300000000 ]  - [  -0.0007452200000000,  0.0044786200000000, -0.0023188700000000 ]  - [  -0.0042512100000000, -0.0015939300000000, -0.0023188700000000 ]  - [  -0.0002853900000000,  0.0001647700000000, -0.0036801000000000 ]  - [   0.0005314900000000, -0.0003068500000000, -0.0059572600000000 ]  - [  -0.0002791000000000,  0.0001611400000000, -0.0037513400000000 ]  - [   0.0002794200000000,  0.0001469200000000, -0.0037239000000000 ]  - [   0.0000124800000000, -0.0003154500000000, -0.0037239000000000 ]  - [  -0.0039416600000000,  0.0022757200000000, -0.0036541700000000 ]  - [  -0.0000074200000000,  0.0000042800000000, -0.0055216300000000 ]  - [   0.0010256600000000, -0.0005921700000000, -0.0055401200000000 ]  - [   0.0000095900000000, -0.0000055300000000, -0.0054086900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0094661900000000,  0.0054653100000000,  0.1523647900000000 ]  - [   0.0000898600000000,  0.0000481400000000, -0.0027094500000000 ]  - [   0.0000032400000000, -0.0001018900000000, -0.0027094500000000 ]  - [   0.0006115900000000, -0.0022110400000000,  0.0169810900000000 ]  - [   0.0022206100000000,  0.0005758700000000,  0.0169810900000000 ]  - [  -0.0015603100000000,  0.0125233200000000, -0.0105615300000000 ]  - [  -0.0116256700000000, -0.0049103900000000, -0.0105615300000000 ]  - [  -0.0000902900000000,  0.0000521300000000, -0.0027066200000000 ]  - [  -0.0009974900000000,  0.0005759000000000,  0.0054364200000000 ]  - [  -0.0001023200000000,  0.0000590700000000, -0.0027207500000000 ]  - [   0.0001035700000000,  0.0000636200000000, -0.0027106400000000 ]  - [  -0.0000033100000000, -0.0001215000000000, -0.0027106400000000 ]  - [  -0.0003318100000000,  0.0001915700000000,  0.0186594200000000 ]  - [  -0.0000000700000000,  0.0000000400000000, -0.0032214200000000 ]  - [   0.0064321500000000, -0.0037136000000000, -0.0053935600000000 ]  - [   0.0000016100000000, -0.0000009300000000, -0.0032179200000000 ]  - [   0.0201595400000000, -0.0116391200000000, -0.0125245000000000 ]  - [   0.0000009000000000, -0.0000005200000000, -0.0022107900000000 ]  - [  -0.0007800300000000,  0.0004503500000000, -0.0013686800000000 ]  - [  -0.0000093600000000,  0.0000054000000000, -0.0021940600000000 ]  - [  -0.0004832600000000,  0.0002790100000000,  0.0050604000000000 ]  - [   0.0005538300000000,  0.0003253600000000, -0.0027065100000000 ]  - [  -0.0000048600000000, -0.0006423100000000, -0.0027065100000000 ]  - [  -0.0098248600000000, -0.0055518300000000, -0.0069085700000000 ]  - [  -0.0001044000000000,  0.0112844900000000, -0.0069085700000000 ]  - [  -0.0004485200000000, -0.0007622100000000, -0.0020007800000000 ]  - [   0.0004358300000000,  0.0007695400000000, -0.0020007800000000 ]  - [  -0.0005503000000000,  0.0003177200000000, -0.0027049200000000 ]  - [   0.0006909100000000, -0.0003989000000000, -0.0047017000000000 ]  - [  -0.0005530300000000,  0.0003192900000000, -0.0026078100000000 ]  - [   0.0005481000000000,  0.0002908100000000, -0.0026320500000000 ]  - [   0.0000222000000000, -0.0006200700000000, -0.0026320500000000 ]  - [  -0.0004633400000000,  0.0002675100000000, -0.0048101000000000 ]  - [   0.0001591300000000, -0.0000918800000000, -0.0054581000000000 ]  - [  -0.0005576900000000,  0.0003219800000000,  0.0028355700000000 ]  - [   0.0000855200000000, -0.0000493700000000,  0.0028462800000000 ]  - [  -0.0101477300000000,  0.0058588000000000, -0.0430624100000000 ]  - [  -0.0000020200000000,  0.0000011600000000,  0.0042147700000000 ]  - [   0.0197443700000000, -0.0113994200000000, -0.0395305900000000 ]  - [  -0.0000012500000000,  0.0000007200000000,  0.0041350400000000 ]  - [  -0.0031722600000000,  0.0018315100000000, -0.0145418300000000 ]  - [   0.0000031700000000, -0.0000018300000000,  0.0040729000000000 ]  - [  -0.0018609500000000,  0.0010744200000000, -0.0237901700000000 ]  - [  -0.0003000600000000, -0.0001745300000000,  0.0037316700000000 ]  - [   0.0000011200000000,  0.0003471200000000,  0.0037316700000000 ]  - [  -0.0075895200000000, -0.0060922800000000, -0.0246544600000000 ]  - [   0.0014813000000000,  0.0096188600000000, -0.0246544600000000 ]  - [   0.0007280900000000, -0.0045185300000000,  0.0022740800000000 ]  - [   0.0042772100000000,  0.0016287200000000,  0.0022740800000000 ]  - [   0.0003006000000000, -0.0001735500000000,  0.0037269800000000 ]  - [  -0.0005124800000000,  0.0002958800000000,  0.0059325100000000 ]  - [   0.0002671600000000, -0.0001542500000000,  0.0037171900000000 ]  - [  -0.0002684300000000, -0.0001383400000000,  0.0036889500000000 ]  - [  -0.0000144100000000,  0.0003016400000000,  0.0036889500000000 ]  - [   0.0039365700000000, -0.0022727800000000,  0.0036807800000000 ]  - [   0.0000051300000000, -0.0000029600000000,  0.0055309400000000 ]  - [  -0.0010319400000000,  0.0005957900000000,  0.0055512300000000 ]  - [  -0.0000051400000000,  0.0000029700000000,  0.0054170800000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0070017900000000,  0.0183240500000000,  0.0003308900000000 ]  - [   0.0000001300000000, -0.0000019300000000, -0.0000019800000000 ]  - [   0.0000010800000000, -0.0000016600000000, -0.0000020900000000 ]  - [   0.0387826200000000, -0.0000146800000000, -0.0000173200000000 ]  - [   0.0070289900000000, -0.0183533800000000, -0.0003360600000000 ]  - [   0.0033408600000000,  0.0032830800000000,  0.0063449700000000 ]  - [  -0.0023805400000000, -0.0000255300000000,  0.0000363000000000 ]  - [  -0.0000016100000000,  0.0000002100000000, -0.0000020400000000 ]  - [   0.0033398300000000, -0.0033227800000000, -0.0064144000000000 ]  - [   0.0000009700000000, -0.0000011200000000,  0.0000042700000000 ]  - [  -0.0000016000000000,  0.0000011800000000,  0.0000008700000000 ]  - [  -0.0000025300000000,  0.0000009200000000,  0.0000009400000000 ]  - [  -0.1084672700000000,  0.0006685100000000, -0.0012885300000000 ]  - [  -0.0000004500000000, -0.0000013000000000,  0.0000036400000000 ]  - [   0.0001229200000000,  0.0000058700000000, -0.0000153400000000 ]  - [   0.0000040300000000,  0.0000019100000000, -0.0000037000000000 ]  - [   0.0008703100000000, -0.0000117500000000,  0.0000157400000000 ]  - [  -0.0000002200000000,  0.0000019000000000,  0.0000044000000000 ]  - [   0.0016501600000000, -0.0000076800000000,  0.0000004600000000 ]  - [   0.0000052500000000, -0.0000022100000000, -0.0000042900000000 ]  - [   0.0093086000000000, -0.0072091500000000, -0.0160093900000000 ]  - [  -0.0000017500000000,  0.0000000400000000, -0.0000150600000000 ]  - [   0.0000001200000000, -0.0000023400000000, -0.0000138400000000 ]  - [  -0.0032286300000000,  0.0000476000000000, -0.0000654300000000 ]  - [   0.0092972200000000,  0.0072612400000000,  0.0161476900000000 ]  - [  -0.0000393400000000,  0.0003025900000000, -0.0002421200000000 ]  - [  -0.0005582100000000,  0.0000024100000000,  0.0000085700000000 ]  - [   0.0000010600000000,  0.0000003600000000, -0.0000118700000000 ]  - [  -0.0000349200000000, -0.0002993200000000,  0.0002641400000000 ]  - [   0.0000137400000000, -0.0000272900000000,  0.0000363300000000 ]  - [   0.0000176900000000,  0.0000275700000000, -0.0000082600000000 ]  - [  -0.0000318700000000,  0.0000024000000000,  0.0000132800000000 ]  - [   0.0018989600000000,  0.0000039100000000, -0.0000027800000000 ]  - [  -0.0000254100000000,  0.0000006400000000, -0.0000006700000000 ]  - [   0.0006785300000000, -0.0000010700000000,  0.0000002300000000 ]  - [  -0.0000382600000000,  0.0000031800000000,  0.0000006800000000 ]  - [  -0.0041360000000000,  0.0000553600000000,  0.0000310000000000 ]  - [   0.0000003500000000, -0.0000004600000000,  0.0000009800000000 ]  - [  -0.0048971900000000, -0.0000706800000000,  0.0000382600000000 ]  - [  -0.0000016700000000,  0.0000031300000000,  0.0000273800000000 ]  - [   0.0172353700000000, -0.0000342300000000,  0.0002752500000000 ]  - [  -0.0000007100000000, -0.0000014100000000, -0.0000260300000000 ]  - [   0.0097068000000000,  0.0034035500000000,  0.0023742300000000 ]  - [  -0.0000049200000000, -0.0000027100000000,  0.0000224500000000 ]  - [   0.0000004100000000,  0.0000070200000000,  0.0000227700000000 ]  - [   0.0156143100000000, -0.0000206800000000,  0.0000345800000000 ]  - [   0.0087178400000000, -0.0039837400000000, -0.0014595600000000 ]  - [   0.0003359200000000,  0.0018457100000000,  0.0014096700000000 ]  - [  -0.0028399100000000,  0.0000110600000000, -0.0000134500000000 ]  - [   0.0000084400000000, -0.0000042700000000,  0.0000240600000000 ]  - [   0.0003772700000000, -0.0018452900000000, -0.0014536100000000 ]  - [  -0.0000051300000000,  0.0000027200000000, -0.0000305000000000 ]  - [   0.0000064200000000,  0.0000051900000000, -0.0000132500000000 ]  - [  -0.0000015000000000, -0.0000070700000000, -0.0000221400000000 ]  - [  -0.0090599000000000, -0.0000167800000000, -0.0000019000000000 ]  - [  -0.0000018400000000,  0.0000004500000000,  0.0000025200000000 ]  - [   0.0002936700000000, -0.0000019200000000, -0.0000014800000000 ]  - [   0.0000997000000000, -0.0000013500000000,  0.0000005200000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0009805500000000, -0.0005661200000000, -0.0185958800000000 ]  - [  -0.0001172600000000, -0.0000677000000000,  0.0032168600000000 ]  - [   0.0000000000000000,  0.0001354000000000,  0.0032168600000000 ]  - [   0.0000000000000000,  0.0011322400000000, -0.0185958800000000 ]  - [  -0.0009805500000000, -0.0005661200000000, -0.0185958800000000 ]  - [   0.0072157200000000,  0.0041660000000000,  0.0052872600000000 ]  - [   0.0000000000000000, -0.0083320000000000,  0.0052872600000000 ]  - [   0.0001172600000000, -0.0000677000000000,  0.0032168600000000 ]  - [  -0.0072157200000000,  0.0041660000000000,  0.0052872600000000 ]  - [   0.0000973700000000, -0.0000562200000000,  0.0032070800000000 ]  - [  -0.0000973700000000, -0.0000562200000000,  0.0032070800000000 ]  - [   0.0000000000000000,  0.0001124300000000,  0.0032070800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2445135100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038159700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046574700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038600700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0090646600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025776300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049117600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025413200000000 ]  - [  -0.0187313300000000,  0.0108145400000000,  0.0144636600000000 ]  - [  -0.0006627900000000, -0.0003826600000000,  0.0031405000000000 ]  - [   0.0000000000000000,  0.0007653300000000,  0.0031405000000000 ]  - [   0.0000000000000000, -0.0216290800000000,  0.0144636600000000 ]  - [   0.0187313300000000,  0.0108145400000000,  0.0144636600000000 ]  - [  -0.0000053900000000, -0.0000031100000000,  0.0023659900000000 ]  - [   0.0000000000000000,  0.0000062300000000,  0.0023659900000000 ]  - [   0.0006627900000000, -0.0003826600000000,  0.0031405000000000 ]  - [   0.0000053900000000, -0.0000031100000000,  0.0023659900000000 ]  - [   0.0007359200000000, -0.0004248800000000,  0.0032815300000000 ]  - [  -0.0007359200000000, -0.0004248800000000,  0.0032815300000000 ]  - [   0.0000000000000000,  0.0008497700000000,  0.0032815300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085751800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062460500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031768000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033281600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0218176300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049910100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0195900200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048499300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1010144800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049059200000000 ]  - [  -0.0054507300000000,  0.0031469800000000,  0.0376051100000000 ]  - [   0.0003320800000000,  0.0001917200000000, -0.0043836200000000 ]  - [   0.0000000000000000, -0.0003834500000000, -0.0043836200000000 ]  - [   0.0000000000000000, -0.0062939600000000,  0.0376051100000000 ]  - [   0.0054507300000000,  0.0031469800000000,  0.0376051100000000 ]  - [  -0.0045285000000000, -0.0026145300000000, -0.0033356800000000 ]  - [   0.0000000000000000,  0.0052290600000000, -0.0033356800000000 ]  - [  -0.0003320800000000,  0.0001917200000000, -0.0043836200000000 ]  - [   0.0045285000000000, -0.0026145300000000, -0.0033356800000000 ]  - [  -0.0004101800000000,  0.0002368200000000, -0.0043983300000000 ]  - [   0.0004101800000000,  0.0002368200000000, -0.0043983300000000 ]  - [   0.0000000000000000, -0.0004736400000000, -0.0043983300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009622900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065217900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065790000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069629700000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010006100000000,  0.0005777000000000,  0.0187141100000000 ]  - [   0.0001123300000000,  0.0000648500000000, -0.0032298600000000 ]  - [   0.0000000000000000, -0.0001297000000000, -0.0032298600000000 ]  - [   0.0000000000000000, -0.0011554000000000,  0.0187141100000000 ]  - [   0.0010006100000000,  0.0005777000000000,  0.0187141100000000 ]  - [  -0.0073498600000000, -0.0042434500000000, -0.0053874600000000 ]  - [   0.0000000000000000,  0.0084868900000000, -0.0053874600000000 ]  - [  -0.0001123300000000,  0.0000648500000000, -0.0032298600000000 ]  - [   0.0073498600000000, -0.0042434500000000, -0.0053874600000000 ]  - [  -0.0001041800000000,  0.0000601500000000, -0.0032177800000000 ]  - [   0.0001041800000000,  0.0000601500000000, -0.0032177800000000 ]  - [   0.0000000000000000, -0.0001203000000000, -0.0032177800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2497152500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038318400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047239800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038760600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089811400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026498000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048817600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024907000000000 ]  - [   0.0184587700000000, -0.0106571800000000, -0.0142966900000000 ]  - [   0.0006542200000000,  0.0003777100000000, -0.0032078700000000 ]  - [   0.0000000000000000, -0.0007554200000000, -0.0032078700000000 ]  - [   0.0000000000000000,  0.0213143500000000, -0.0142966900000000 ]  - [  -0.0184587700000000, -0.0106571800000000, -0.0142966900000000 ]  - [  -0.0000031100000000, -0.0000018000000000, -0.0023195300000000 ]  - [   0.0000000000000000,  0.0000036000000000, -0.0023195300000000 ]  - [  -0.0006542200000000,  0.0003777100000000, -0.0032078700000000 ]  - [   0.0000031100000000, -0.0000018000000000, -0.0023195300000000 ]  - [  -0.0007479500000000,  0.0004318300000000, -0.0032401100000000 ]  - [   0.0007479500000000,  0.0004318300000000, -0.0032401100000000 ]  - [   0.0000000000000000, -0.0008636600000000, -0.0032401100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0085871500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062698200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031924800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033413900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0221242700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0050112000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0197348300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049284700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1085795000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048666600000000 ]  - [   0.0062333200000000, -0.0035988100000000, -0.0369060200000000 ]  - [  -0.0003466800000000, -0.0002001600000000,  0.0044439800000000 ]  - [   0.0000000000000000,  0.0004003200000000,  0.0044439800000000 ]  - [   0.0000000000000000,  0.0071976200000000, -0.0369060200000000 ]  - [  -0.0062333200000000, -0.0035988100000000, -0.0369060200000000 ]  - [   0.0045480300000000,  0.0026258000000000,  0.0033092500000000 ]  - [   0.0000000000000000, -0.0052516100000000,  0.0033092500000000 ]  - [   0.0003466800000000, -0.0002001600000000,  0.0044439800000000 ]  - [  -0.0045480300000000,  0.0026258000000000,  0.0033092500000000 ]  - [   0.0003992800000000, -0.0002305300000000,  0.0043757600000000 ]  - [  -0.0003992800000000, -0.0002305300000000,  0.0043757600000000 ]  - [   0.0000000000000000,  0.0004610500000000,  0.0043757600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010074800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065447200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0066098500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069897700000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0098446100000000, -0.0082083400000000, -0.0204057600000000 ]  - [  -0.0000028100000000, -0.0000042700000000,  0.0000020300000000 ]  - [   0.0000022000000000,  0.0000017800000000,  0.0000030100000000 ]  - [  -0.0042980900000000, -0.0000719100000000,  0.0000688200000000 ]  - [   0.0099199700000000,  0.0081663300000000,  0.0202381800000000 ]  - [  -0.0002163000000000,  0.0007849600000000, -0.0007750200000000 ]  - [  -0.0015709700000000,  0.0000044400000000, -0.0000039300000000 ]  - [   0.0000015000000000, -0.0000010200000000,  0.0000045900000000 ]  - [  -0.0002064900000000, -0.0007847000000000,  0.0007795000000000 ]  - [  -0.0000023300000000, -0.0000009100000000, -0.0000076700000000 ]  - [   0.0000016000000000,  0.0000040200000000,  0.0000131000000000 ]  - [  -0.0000048500000000, -0.0000027600000000,  0.0000008300000000 ]  - [   0.0008679500000000,  0.0000129700000000, -0.0000173900000000 ]  - [  -0.0000014600000000, -0.0000011700000000,  0.0000086000000000 ]  - [   0.0016523900000000, -0.0000024700000000,  0.0000009800000000 ]  - [   0.0000063800000000,  0.0000019200000000, -0.0000018500000000 ]  - [  -0.2133592200000000, -0.0025939700000000,  0.0022298600000000 ]  - [   0.0000010800000000,  0.0000020400000000, -0.0000004300000000 ]  - [  -0.0000907000000000, -0.0000012000000000,  0.0000070300000000 ]  - [  -0.0000495900000000, -0.0000021800000000,  0.0000051800000000 ]  - [   0.0077220500000000,  0.0202492300000000, -0.0002384100000000 ]  - [  -0.0000019800000000,  0.0000008100000000, -0.0000146400000000 ]  - [  -0.0000019300000000, -0.0000009700000000, -0.0000153000000000 ]  - [   0.0427914100000000,  0.0000090000000000, -0.0000337000000000 ]  - [   0.0077004500000000, -0.0202530500000000,  0.0001871300000000 ]  - [   0.0000445700000000,  0.0000027000000000,  0.0002271800000000 ]  - [   0.0000403400000000,  0.0000005700000000,  0.0000204400000000 ]  - [   0.0000021200000000, -0.0000015200000000, -0.0000139800000000 ]  - [   0.0000423300000000, -0.0000011500000000, -0.0001913500000000 ]  - [   0.0000137400000000,  0.0000228100000000,  0.0000667300000000 ]  - [   0.0000163200000000, -0.0000224200000000, -0.0000242100000000 ]  - [   0.0000542600000000,  0.0000027400000000,  0.0000208800000000 ]  - [   0.0008621000000000, -0.0000098600000000,  0.0000082600000000 ]  - [   0.0000235900000000,  0.0000003300000000,  0.0000055900000000 ]  - [  -0.0007798700000000, -0.0000116600000000, -0.0000043700000000 ]  - [   0.0000070800000000,  0.0000030100000000, -0.0000025800000000 ]  - [   0.0070636000000000, -0.0000147500000000, -0.0000241100000000 ]  - [  -0.0000061000000000, -0.0000005200000000, -0.0000035100000000 ]  - [  -0.0097085600000000,  0.0000168600000000,  0.0000398700000000 ]  - [   0.0000003400000000,  0.0000033100000000,  0.0000241500000000 ]  - [  -0.0000273400000000,  0.0000028800000000, -0.0000226600000000 ]  - [   0.0000074600000000, -0.0000012400000000, -0.0000312900000000 ]  - [   0.0632219900000000, -0.0262712300000000,  0.0311699000000000 ]  - [  -0.0000063100000000, -0.0000023200000000,  0.0000187700000000 ]  - [  -0.0000014000000000,  0.0000068600000000,  0.0000176500000000 ]  - [   0.0173497600000000,  0.0002459600000000,  0.0001684500000000 ]  - [   0.0665738900000000,  0.0286516600000000, -0.0333482100000000 ]  - [   0.0000030700000000, -0.0003138300000000, -0.0004139300000000 ]  - [   0.0005431400000000,  0.0000057400000000, -0.0000265800000000 ]  - [   0.0000068500000000, -0.0000042500000000,  0.0000175500000000 ]  - [   0.0000100700000000,  0.0003057300000000,  0.0003657400000000 ]  - [  -0.0000083300000000, -0.0000098500000000,  0.0000173100000000 ]  - [   0.0000049200000000,  0.0000187300000000, -0.0000672700000000 ]  - [  -0.0000264400000000, -0.0000079800000000, -0.0000249300000000 ]  - [  -0.0058625500000000,  0.0000751200000000, -0.0000062800000000 ]  - [  -0.0000001500000000,  0.0000003800000000, -0.0000049100000000 ]  - [  -0.0001489700000000,  0.0000003800000000, -0.0000064900000000 ]  - [  -0.0000203800000000, -0.0000017900000000, -0.0000065400000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0167493500000000,  0.0096702400000000,  0.0125060400000000 ]  - [  -0.0000746500000000, -0.0000431000000000,  0.0021806600000000 ]  - [   0.0000000000000000,  0.0000861900000000,  0.0021806600000000 ]  - [   0.0000000000000000, -0.0193404800000000,  0.0125060400000000 ]  - [   0.0167493500000000,  0.0096702400000000,  0.0125060400000000 ]  - [  -0.0004111000000000, -0.0002373500000000,  0.0013999100000000 ]  - [   0.0000000000000000,  0.0004747000000000,  0.0013999100000000 ]  - [   0.0000746500000000, -0.0000431000000000,  0.0021806600000000 ]  - [   0.0004111000000000, -0.0002373500000000,  0.0013999100000000 ]  - [   0.0001343200000000, -0.0000775500000000,  0.0022229700000000 ]  - [  -0.0001343200000000, -0.0000775500000000,  0.0022229700000000 ]  - [   0.0000000000000000,  0.0001551000000000,  0.0022229700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0089926600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026117400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048813500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025145100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1557277300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017336900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014955600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021971800000000 ]  - [   0.0014191600000000, -0.0008193500000000, -0.0129668000000000 ]  - [  -0.0004578700000000, -0.0002643500000000,  0.0021336500000000 ]  - [   0.0000000000000000,  0.0005287000000000,  0.0021336500000000 ]  - [   0.0000000000000000,  0.0016387000000000, -0.0129668000000000 ]  - [  -0.0014191600000000, -0.0008193500000000, -0.0129668000000000 ]  - [   0.0006356500000000,  0.0003669900000000,  0.0023115600000000 ]  - [   0.0000000000000000, -0.0007339800000000,  0.0023115600000000 ]  - [   0.0004578700000000, -0.0002643500000000,  0.0021336500000000 ]  - [  -0.0006356500000000,  0.0003669900000000,  0.0023115600000000 ]  - [   0.0003321900000000, -0.0001917900000000,  0.0019453200000000 ]  - [  -0.0003321900000000, -0.0001917900000000,  0.0019453200000000 ]  - [   0.0000000000000000,  0.0003835900000000,  0.0019453200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001971600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043990400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005928200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022866100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062464800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034276000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047048000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032571700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009000800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033057300000000 ]  - [   0.0314846000000000, -0.0181776400000000,  0.0515538100000000 ]  - [   0.0002252000000000,  0.0001300200000000, -0.0029733100000000 ]  - [   0.0000000000000000, -0.0002600400000000, -0.0029733100000000 ]  - [   0.0000000000000000,  0.0363552900000000,  0.0515538100000000 ]  - [  -0.0314846000000000, -0.0181776400000000,  0.0515538100000000 ]  - [   0.0005567200000000,  0.0003214200000000, -0.0031933100000000 ]  - [   0.0000000000000000, -0.0006428500000000, -0.0031933100000000 ]  - [  -0.0002252000000000,  0.0001300200000000, -0.0029733100000000 ]  - [  -0.0005567200000000,  0.0003214200000000, -0.0031933100000000 ]  - [   0.0000098600000000, -0.0000056900000000, -0.0030802800000000 ]  - [  -0.0000098600000000, -0.0000056900000000, -0.0030802800000000 ]  - [   0.0000000000000000,  0.0000113800000000, -0.0030802800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085246900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044619300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043974600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035843200000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0170392000000000, -0.0098375900000000, -0.0127674000000000 ]  - [   0.0000705100000000,  0.0000407100000000, -0.0021860200000000 ]  - [   0.0000000000000000, -0.0000814200000000, -0.0021860200000000 ]  - [   0.0000000000000000,  0.0196751800000000, -0.0127674000000000 ]  - [  -0.0170392000000000, -0.0098375900000000, -0.0127674000000000 ]  - [   0.0004080400000000,  0.0002355800000000, -0.0013920800000000 ]  - [   0.0000000000000000, -0.0004711600000000, -0.0013920800000000 ]  - [  -0.0000705100000000,  0.0000407100000000, -0.0021860200000000 ]  - [  -0.0004080400000000,  0.0002355800000000, -0.0013920800000000 ]  - [  -0.0001392200000000,  0.0000803800000000, -0.0022205900000000 ]  - [   0.0001392200000000,  0.0000803800000000, -0.0022205900000000 ]  - [   0.0000000000000000, -0.0001607600000000, -0.0022205900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0090521500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026159700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049081000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025164700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1567356100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017629600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014620700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021734100000000 ]  - [  -0.0014239800000000,  0.0008221300000000,  0.0129227700000000 ]  - [   0.0004524300000000,  0.0002612100000000, -0.0021841100000000 ]  - [   0.0000000000000000, -0.0005224200000000, -0.0021841100000000 ]  - [   0.0000000000000000, -0.0016442700000000,  0.0129227700000000 ]  - [   0.0014239800000000,  0.0008221300000000,  0.0129227700000000 ]  - [  -0.0006441200000000, -0.0003718800000000, -0.0022681300000000 ]  - [   0.0000000000000000,  0.0007437700000000, -0.0022681300000000 ]  - [  -0.0004524300000000,  0.0002612100000000, -0.0021841100000000 ]  - [   0.0006441200000000, -0.0003718800000000, -0.0022681300000000 ]  - [  -0.0003375800000000,  0.0001949000000000, -0.0019045600000000 ]  - [   0.0003375800000000,  0.0001949000000000, -0.0019045600000000 ]  - [   0.0000000000000000, -0.0003898100000000, -0.0019045600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002290600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044026900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006113200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022891800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062527100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034319500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047003700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033186500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009793800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032544000000000 ]  - [  -0.0324825600000000,  0.0187538100000000, -0.0516235200000000 ]  - [  -0.0002397500000000, -0.0001384200000000,  0.0030197700000000 ]  - [   0.0000000000000000,  0.0002768400000000,  0.0030197700000000 ]  - [   0.0000000000000000, -0.0375076300000000, -0.0516235200000000 ]  - [   0.0324825600000000,  0.0187538100000000, -0.0516235200000000 ]  - [  -0.0005771800000000, -0.0003332400000000,  0.0031555100000000 ]  - [   0.0000000000000000,  0.0006664700000000,  0.0031555100000000 ]  - [   0.0002397500000000, -0.0001384200000000,  0.0030197700000000 ]  - [   0.0005771800000000, -0.0003332400000000,  0.0031555100000000 ]  - [  -0.0000211800000000,  0.0000122300000000,  0.0030421400000000 ]  - [   0.0000211800000000,  0.0000122300000000,  0.0030421400000000 ]  - [   0.0000000000000000, -0.0000244600000000,  0.0030421400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084377300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044683800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043992000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035933100000000 ]- atom:   21  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001810800000000,  0.0004071100000000,  0.0004663500000000 ]  - [   0.0000249500000000,  0.0000109100000000, -0.0005603200000000 ]  - [   0.0000018500000000, -0.0000289300000000, -0.0005641600000000 ]  - [   0.0045387600000000,  0.0053819100000000,  0.0097632200000000 ]  - [  -0.0022267900000000,  0.0008639900000000, -0.0000689300000000 ]  - [  -0.0009086200000000, -0.0000614000000000, -0.0004421100000000 ]  - [  -0.0000290100000000,  0.0006392000000000, -0.0008724300000000 ]  - [  -0.0000249600000000,  0.0000131100000000, -0.0005574500000000 ]  - [   0.0013999400000000, -0.0000481100000000, -0.0006747600000000 ]  - [   0.0000010200000000,  0.0000076300000000, -0.0005405400000000 ]  - [  -0.0000003700000000,  0.0000197400000000, -0.0005368000000000 ]  - [  -0.0000102100000000, -0.0000163700000000, -0.0005181300000000 ]  - [   0.0092904700000000, -0.0072687100000000, -0.0186893300000000 ]  - [  -0.0000003200000000, -0.0000004200000000, -0.0006524600000000 ]  - [  -0.0000354800000000, -0.0002982100000000, -0.0000011900000000 ]  - [   0.0000168300000000, -0.0000263600000000, -0.0007430900000000 ]  - [   0.0077176300000000,  0.0202498700000000,  0.0014298000000000 ]  - [   0.0000012200000000,  0.0000013600000000, -0.0004417300000000 ]  - [   0.0000403300000000, -0.0000023600000000, -0.0006492300000000 ]  - [   0.0000151700000000,  0.0000195300000000, -0.0003458000000000 ]  - [  -0.2171771500000000,  0.0167883700000000,  0.0877665500000000 ]  - [   0.0001123800000000,  0.0000670400000000, -0.0005601000000000 ]  - [  -0.0000008500000000, -0.0001340700000000, -0.0005598300000000 ]  - [   0.0079880800000000, -0.0215623000000000,  0.0030244300000000 ]  - [   0.0454152300000000, -0.0000110400000000,  0.0031249200000000 ]  - [  -0.0000668300000000, -0.0000388000000000, -0.0005152100000000 ]  - [   0.0000012900000000,  0.0000825100000000, -0.0004023200000000 ]  - [  -0.0001124000000000,  0.0000656800000000, -0.0005589900000000 ]  - [   0.0000641500000000, -0.0000532300000000, -0.0004976600000000 ]  - [  -0.0003579600000000,  0.0001642400000000, -0.0005407800000000 ]  - [   0.0003985100000000,  0.0002659100000000, -0.0006972500000000 ]  - [  -0.0000703400000000, -0.0005336200000000, -0.0008947500000000 ]  - [   0.0031380700000000, -0.0038376200000000, -0.0076367500000000 ]  - [  -0.0000018900000000, -0.0000065600000000, -0.0010960700000000 ]  - [  -0.0000344300000000,  0.0010806100000000, -0.0029234300000000 ]  - [  -0.0000060500000000, -0.0000004300000000,  0.0005776200000000 ]  - [  -0.0000216800000000, -0.0025261700000000, -0.0013094700000000 ]  - [  -0.0000030600000000,  0.0000078700000000,  0.0008495200000000 ]  - [  -0.0003771500000000,  0.0035000100000000, -0.0039276700000000 ]  - [   0.0000012400000000, -0.0000002000000000,  0.0008860600000000 ]  - [   0.0006644400000000, -0.0004748900000000,  0.0045826400000000 ]  - [   0.0000059400000000, -0.0000151800000000,  0.0008104500000000 ]  - [  -0.0065054000000000,  0.0004713700000000, -0.0031743700000000 ]  - [  -0.0000693900000000, -0.0000377800000000,  0.0007832400000000 ]  - [   0.0000002900000000,  0.0000782500000000,  0.0007824200000000 ]  - [   0.0517900900000000,  0.0222538100000000, -0.0313367400000000 ]  - [   0.0154865400000000,  0.0022533800000000, -0.0040364600000000 ]  - [   0.0004476100000000,  0.0001462900000000,  0.0007522700000000 ]  - [  -0.0000667300000000, -0.0003877100000000,  0.0005540900000000 ]  - [   0.0000691000000000, -0.0000381600000000,  0.0007835800000000 ]  - [  -0.0004206900000000,  0.0000786700000000,  0.0006871500000000 ]  - [   0.0001822700000000, -0.0000434200000000,  0.0006981800000000 ]  - [  -0.0001780300000000,  0.0000120300000000,  0.0006972800000000 ]  - [  -0.0000469800000000,  0.0001173100000000,  0.0006209900000000 ]  - [   0.0793783000000000, -0.0372609400000000, -0.0370113300000000 ]  - [   0.0000003200000000, -0.0000011500000000,  0.0011319700000000 ]  - [   0.0000079300000000,  0.0000425300000000,  0.0011284000000000 ]  - [   0.0003717000000000, -0.0003760900000000,  0.0026365000000000 ]- atom:   21  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001794300000000, -0.0003885700000000, -0.0004911600000000 ]  - [  -0.0000218200000000, -0.0000145300000000,  0.0005571500000000 ]  - [   0.0000018100000000,  0.0000241600000000,  0.0005608800000000 ]  - [  -0.0045018200000000, -0.0054205900000000, -0.0098364900000000 ]  - [   0.0022218700000000, -0.0009307300000000,  0.0001515800000000 ]  - [   0.0009083200000000,  0.0000582400000000,  0.0004414100000000 ]  - [   0.0000296800000000, -0.0006380900000000,  0.0008822600000000 ]  - [   0.0000209300000000, -0.0000119000000000,  0.0005549000000000 ]  - [  -0.0014021400000000,  0.0000452200000000,  0.0006902600000000 ]  - [   0.0000029200000000, -0.0000111900000000,  0.0005493900000000 ]  - [  -0.0000033400000000, -0.0000197000000000,  0.0005479400000000 ]  - [   0.0000066900000000,  0.0000179400000000,  0.0005242900000000 ]  - [  -0.0093172300000000,  0.0072033100000000,  0.0184985900000000 ]  - [  -0.0000001900000000, -0.0000022600000000,  0.0006620300000000 ]  - [   0.0000404400000000,  0.0003005300000000, -0.0000016300000000 ]  - [  -0.0000159600000000,  0.0000297600000000,  0.0007414600000000 ]  - [  -0.0077071700000000, -0.0202503300000000, -0.0014208200000000 ]  - [   0.0000002000000000,  0.0000022000000000,  0.0004598900000000 ]  - [  -0.0000450200000000, -0.0000018000000000,  0.0006403300000000 ]  - [  -0.0000167600000000, -0.0000245000000000,  0.0003326500000000 ]  - [   0.2183341300000000, -0.0219979400000000, -0.0882391000000000 ]  - [  -0.0001152300000000, -0.0000659400000000,  0.0005389600000000 ]  - [  -0.0000005900000000,  0.0001295600000000,  0.0005378000000000 ]  - [  -0.0080121300000000,  0.0215810800000000, -0.0030437600000000 ]  - [  -0.0453408500000000,  0.0000014400000000, -0.0031845500000000 ]  - [   0.0000716900000000,  0.0000430100000000,  0.0005414100000000 ]  - [  -0.0000023100000000, -0.0000824900000000,  0.0004282900000000 ]  - [   0.0001153700000000, -0.0000670200000000,  0.0005402100000000 ]  - [  -0.0000633100000000,  0.0000526600000000,  0.0005188000000000 ]  - [   0.0003561000000000, -0.0001643500000000,  0.0005717300000000 ]  - [  -0.0003969700000000, -0.0002684500000000,  0.0007235400000000 ]  - [   0.0000722200000000,  0.0005411000000000,  0.0009231600000000 ]  - [  -0.0031037700000000,  0.0038658800000000,  0.0076945900000000 ]  - [   0.0000005000000000,  0.0000067700000000,  0.0011028700000000 ]  - [   0.0000784100000000, -0.0010856400000000,  0.0029398900000000 ]  - [  -0.0000039600000000,  0.0000059000000000, -0.0005810600000000 ]  - [   0.0000557300000000,  0.0025247100000000,  0.0012947800000000 ]  - [   0.0000032700000000, -0.0000092300000000, -0.0008539300000000 ]  - [   0.0003333000000000, -0.0035031400000000,  0.0040196700000000 ]  - [  -0.0000019000000000,  0.0000052400000000, -0.0008376300000000 ]  - [  -0.0006701100000000,  0.0004712400000000, -0.0046516000000000 ]  - [  -0.0000034800000000,  0.0000126000000000, -0.0008683200000000 ]  - [   0.0064883000000000, -0.0003303900000000,  0.0033166500000000 ]  - [   0.0000571800000000,  0.0000305600000000, -0.0007424900000000 ]  - [   0.0000007000000000, -0.0000652600000000, -0.0007428100000000 ]  - [  -0.0491003500000000, -0.0203448500000000,  0.0292924900000000 ]  - [  -0.0154173100000000, -0.0018491300000000,  0.0042931800000000 ]  - [  -0.0004586800000000, -0.0001565000000000, -0.0008033900000000 ]  - [   0.0000718300000000,  0.0004005500000000, -0.0006029400000000 ]  - [  -0.0000553000000000,  0.0000312000000000, -0.0007431500000000 ]  - [   0.0004333700000000, -0.0000839400000000, -0.0007338300000000 ]  - [  -0.0001946500000000,  0.0000507100000000, -0.0007471600000000 ]  - [   0.0001902000000000, -0.0000035700000000, -0.0007460700000000 ]  - [   0.0000458500000000, -0.0001328200000000, -0.0006704500000000 ]  - [  -0.0834130900000000,  0.0401578500000000,  0.0393870800000000 ]  - [  -0.0000015400000000,  0.0000012300000000, -0.0011362600000000 ]  - [  -0.0000107200000000, -0.0000426300000000, -0.0011392200000000 ]  - [  -0.0003638900000000,  0.0003728600000000, -0.0026423000000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0003550100000000,  0.0002049600000000, -0.0050779200000000 ]  - [  -0.0000988600000000, -0.0000611400000000,  0.0026783800000000 ]  - [   0.0000035200000000,  0.0001161900000000,  0.0026783800000000 ]  - [   0.0087527600000000,  0.0074941000000000,  0.0068875200000000 ]  - [  -0.0021137000000000, -0.0113271600000000,  0.0068875200000000 ]  - [   0.0001351100000000,  0.0004932700000000,  0.0020334200000000 ]  - [  -0.0003596300000000, -0.0003636400000000,  0.0020334200000000 ]  - [   0.0000975600000000, -0.0000563300000000,  0.0026779300000000 ]  - [  -0.0004088000000000,  0.0002360200000000,  0.0047079500000000 ]  - [   0.0000593900000000, -0.0000342900000000,  0.0026355200000000 ]  - [  -0.0000528600000000, -0.0000350100000000,  0.0026599300000000 ]  - [   0.0000038900000000,  0.0000632800000000,  0.0026599300000000 ]  - [  -0.0159251100000000,  0.0091943700000000,  0.0142449100000000 ]  - [  -0.0000006900000000,  0.0000004000000000,  0.0031814100000000 ]  - [   0.0002537500000000, -0.0001465000000000,  0.0023420300000000 ]  - [  -0.0000220300000000,  0.0000127200000000,  0.0032588600000000 ]  - [  -0.0002183200000000,  0.0001260500000000, -0.0129099000000000 ]  - [  -0.0000002700000000,  0.0000001500000000,  0.0021630100000000 ]  - [  -0.0002080300000000,  0.0001201100000000,  0.0022866100000000 ]  - [  -0.0000443700000000,  0.0000256200000000,  0.0019246900000000 ]  - [   0.0877646800000000, -0.0506709600000000, -0.1419211200000000 ]  - [  -0.0005503700000000, -0.0003161600000000,  0.0026256900000000 ]  - [  -0.0000013800000000,  0.0006347200000000,  0.0026256900000000 ]  - [  -0.0001221800000000,  0.0035802600000000, -0.0152433700000000 ]  - [  -0.0031616900000000, -0.0016843200000000, -0.0152433700000000 ]  - [   0.0005274500000000,  0.0001758700000000,  0.0026876400000000 ]  - [   0.0001114200000000, -0.0005447200000000,  0.0026876400000000 ]  - [   0.0005519200000000, -0.0003186500000000,  0.0026272700000000 ]  - [  -0.0005072500000000,  0.0002928600000000,  0.0024699400000000 ]  - [   0.0005545500000000, -0.0003201700000000,  0.0027012800000000 ]  - [  -0.0007112500000000, -0.0006419800000000,  0.0029200900000000 ]  - [   0.0002003400000000,  0.0009369500000000,  0.0029200900000000 ]  - [  -0.0111784700000000,  0.0064538900000000,  0.0106531400000000 ]  - [   0.0000108300000000, -0.0000062500000000,  0.0053317800000000 ]  - [  -0.0031737100000000,  0.0018323400000000, -0.0007937400000000 ]  - [   0.0000040700000000, -0.0000023500000000, -0.0027959600000000 ]  - [   0.0041782000000000, -0.0024122900000000, -0.0023893600000000 ]  - [  -0.0000044100000000,  0.0000025500000000, -0.0041390600000000 ]  - [  -0.0049843300000000,  0.0028777000000000, -0.0022856800000000 ]  - [  -0.0000026800000000,  0.0000015500000000, -0.0040471200000000 ]  - [  -0.0015905400000000,  0.0009183000000000, -0.0062610900000000 ]  - [   0.0000074000000000, -0.0000042700000000, -0.0040983500000000 ]  - [   0.0007389600000000, -0.0004266400000000,  0.0213700800000000 ]  - [   0.0002839800000000,  0.0001627300000000, -0.0036418900000000 ]  - [   0.0000010600000000, -0.0003273000000000, -0.0036418900000000 ]  - [  -0.0266383100000000, -0.0138452800000000,  0.0475794200000000 ]  - [  -0.0013287900000000,  0.0299921000000000,  0.0475794200000000 ]  - [  -0.0004027900000000, -0.0008942000000000, -0.0038235300000000 ]  - [   0.0005730100000000,  0.0007959200000000, -0.0038235300000000 ]  - [  -0.0002835700000000,  0.0001637200000000, -0.0036436200000000 ]  - [   0.0003896800000000, -0.0002249800000000, -0.0032383900000000 ]  - [  -0.0004580500000000,  0.0002644500000000, -0.0035543600000000 ]  - [   0.0004486500000000,  0.0002534400000000, -0.0036630600000000 ]  - [   0.0000048400000000, -0.0005152600000000, -0.0036630600000000 ]  - [  -0.0299985100000000,  0.0173196500000000,  0.0428556500000000 ]  - [   0.0000000400000000, -0.0000000200000000, -0.0054482500000000 ]  - [  -0.0000962000000000,  0.0000555400000000, -0.0054729900000000 ]  - [  -0.0006548900000000,  0.0003781000000000, -0.0067556400000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0003518400000000, -0.0002031400000000,  0.0051278000000000 ]  - [   0.0000944300000000,  0.0000540800000000, -0.0026761000000000 ]  - [   0.0000003800000000, -0.0001088200000000, -0.0026761000000000 ]  - [  -0.0089169300000000, -0.0076193200000000, -0.0070148000000000 ]  - [   0.0021400600000000,  0.0115319500000000, -0.0070148000000000 ]  - [  -0.0001405000000000, -0.0005033700000000, -0.0020251800000000 ]  - [   0.0003656800000000,  0.0003733600000000, -0.0020251800000000 ]  - [  -0.0000945300000000,  0.0000545800000000, -0.0026759800000000 ]  - [   0.0004151400000000, -0.0002396800000000, -0.0047246200000000 ]  - [  -0.0000639200000000,  0.0000369000000000, -0.0026325000000000 ]  - [   0.0000578900000000,  0.0000420200000000, -0.0026561900000000 ]  - [  -0.0000074500000000, -0.0000711400000000, -0.0026561900000000 ]  - [   0.0162371100000000, -0.0093745000000000, -0.0145153300000000 ]  - [   0.0000011900000000, -0.0000006800000000, -0.0031669300000000 ]  - [  -0.0002551300000000,  0.0001473000000000, -0.0023438300000000 ]  - [   0.0000212200000000, -0.0000122500000000, -0.0032650100000000 ]  - [   0.0002105900000000, -0.0001215800000000,  0.0129669000000000 ]  - [  -0.0000002300000000,  0.0000001300000000, -0.0021642100000000 ]  - [   0.0002084600000000, -0.0001203500000000, -0.0022832500000000 ]  - [   0.0000444900000000, -0.0000256900000000, -0.0019156300000000 ]  - [  -0.0881744500000000,  0.0509075400000000,  0.1430987300000000 ]  - [   0.0005481900000000,  0.0003172900000000, -0.0026595100000000 ]  - [  -0.0000006800000000, -0.0006333900000000, -0.0026595100000000 ]  - [   0.0001181700000000, -0.0035655900000000,  0.0152067900000000 ]  - [   0.0031469800000000,  0.0016804600000000,  0.0152067900000000 ]  - [  -0.0005292500000000, -0.0001735900000000, -0.0026449000000000 ]  - [  -0.0001142900000000,  0.0005451400000000, -0.0026449000000000 ]  - [  -0.0005468600000000,  0.0003157300000000, -0.0026588000000000 ]  - [   0.0005099800000000, -0.0002944400000000, -0.0024316100000000 ]  - [  -0.0005599100000000,  0.0003232600000000, -0.0026625900000000 ]  - [   0.0007113300000000,  0.0006371900000000, -0.0028815700000000 ]  - [  -0.0001961600000000, -0.0009346200000000, -0.0028815700000000 ]  - [   0.0110299300000000, -0.0063681300000000, -0.0105558600000000 ]  - [  -0.0000125000000000,  0.0000072100000000, -0.0053247700000000 ]  - [   0.0031910300000000, -0.0018423400000000,  0.0008638000000000 ]  - [  -0.0000143900000000,  0.0000083100000000,  0.0027917600000000 ]  - [  -0.0042062100000000,  0.0024284600000000,  0.0023660500000000 ]  - [   0.0000044600000000, -0.0000025700000000,  0.0041343600000000 ]  - [   0.0050105300000000, -0.0028928300000000,  0.0023081000000000 ]  - [   0.0000010900000000, -0.0000006300000000,  0.0040969400000000 ]  - [   0.0016024600000000, -0.0009251800000000,  0.0062133600000000 ]  - [  -0.0000050600000000,  0.0000029200000000,  0.0040368300000000 ]  - [  -0.0007750900000000,  0.0004475000000000, -0.0214869100000000 ]  - [  -0.0002960700000000, -0.0001707300000000,  0.0036801900000000 ]  - [  -0.0000001700000000,  0.0003417700000000,  0.0036801900000000 ]  - [   0.0278239400000000,  0.0144770100000000, -0.0479242000000000 ]  - [   0.0013745100000000, -0.0313347400000000, -0.0479242000000000 ]  - [   0.0003901700000000,  0.0008915900000000,  0.0037763600000000 ]  - [  -0.0005770500000000, -0.0007836900000000,  0.0037763600000000 ]  - [   0.0002966900000000, -0.0001712900000000,  0.0036817400000000 ]  - [  -0.0003758100000000,  0.0002169700000000,  0.0031869700000000 ]  - [   0.0004458800000000, -0.0002574300000000,  0.0035075700000000 ]  - [  -0.0004370800000000, -0.0002450400000000,  0.0036144700000000 ]  - [  -0.0000063300000000,  0.0005010400000000,  0.0036144700000000 ]  - [   0.0292018400000000, -0.0168596900000000, -0.0428247200000000 ]  - [  -0.0000021700000000,  0.0000012500000000,  0.0054438700000000 ]  - [   0.0000963000000000, -0.0000556000000000,  0.0054636500000000 ]  - [   0.0006562600000000, -0.0003788900000000,  0.0067534000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000683200000000, -0.0006277400000000,  0.0004637200000000 ]  - [   0.0000188900000000, -0.0000088900000000, -0.0001603800000000 ]  - [   0.0000318600000000,  0.0000005000000000, -0.0000022600000000 ]  - [  -0.0010232400000000, -0.0000007400000000, -0.0000045300000000 ]  - [   0.0000652400000000,  0.0006307900000000, -0.0004657400000000 ]  - [   0.0000188900000000, -0.0000088900000000,  0.0001603800000000 ]  - [   0.0000318600000000,  0.0000005000000000,  0.0000022600000000 ]  - [   0.0000189800000000,  0.0000061300000000,  0.0001582000000000 ]  - [   0.0000189800000000,  0.0000061300000000, -0.0001582000000000 ]  - [   0.0000683200000000, -0.0006277400000000, -0.0004637200000000 ]  - [   0.0000652400000000,  0.0006307900000000,  0.0004657400000000 ]  - [  -0.0010232400000000, -0.0000007400000000,  0.0000045300000000 ]  - [   0.0018978100000000, -0.0000024100000000,  0.0000093400000000 ]  - [  -0.0000246600000000,  0.0000000100000000,  0.0000064000000000 ]  - [  -0.0000246600000000,  0.0000000100000000, -0.0000064000000000 ]  - [   0.0018978100000000, -0.0000024100000000, -0.0000093400000000 ]  - [   0.0008618400000000,  0.0000031800000000, -0.0000067800000000 ]  - [   0.0000239500000000,  0.0000001500000000,  0.0000001800000000 ]  - [   0.0000239500000000,  0.0000001500000000, -0.0000001800000000 ]  - [   0.0008618400000000,  0.0000031800000000,  0.0000067800000000 ]  - [   0.0031101600000000, -0.0038640700000000, -0.0111494700000000 ]  - [  -0.0000019900000000,  0.0000080900000000, -0.0000033200000000 ]  - [  -0.0000145300000000, -0.0000000100000000, -0.0000151900000000 ]  - [  -0.0035507200000000, -0.0000142200000000,  0.0000036600000000 ]  - [   0.0031298400000000,  0.0038380700000000,  0.0110568900000000 ]  - [  -0.0000019900000000,  0.0000080900000000,  0.0000033200000000 ]  - [  -0.0000145300000000, -0.0000000100000000,  0.0000151900000000 ]  - [  -0.0000000300000000, -0.0000076800000000, -0.0000248000000000 ]  - [  -0.0000000300000000, -0.0000076800000000,  0.0000248000000000 ]  - [   0.0031101600000000, -0.0038640700000000,  0.0111494700000000 ]  - [   0.0031298400000000,  0.0038380700000000, -0.0110568900000000 ]  - [  -0.0035507200000000, -0.0000142200000000, -0.0000036600000000 ]  - [  -0.0241277400000000,  0.0000232200000000,  0.0000000000000000 ]  - [  -0.0000036400000000,  0.0000003500000000,  0.0000000000000000 ]  - [  -0.0069973400000000,  0.0000283500000000,  0.0000000000000000 ]  - [  -0.0000082300000000,  0.0000030100000000,  0.0000000000000000 ]  - [  -0.0004195300000000,  0.0000009800000000,  0.0000005500000000 ]  - [  -0.0004195300000000,  0.0000009800000000, -0.0000005500000000 ]  - [   0.0007148000000000, -0.0000031200000000,  0.0000278800000000 ]  - [   0.0001834800000000,  0.0000012300000000,  0.0000290400000000 ]  - [   0.0001834800000000,  0.0000012300000000, -0.0000290400000000 ]  - [   0.0007148000000000, -0.0000031200000000, -0.0000278800000000 ]  - [   0.0001360700000000, -0.0034827100000000, -0.0011464600000000 ]  - [  -0.0000053800000000,  0.0000344000000000, -0.0000110600000000 ]  - [  -0.0000644300000000,  0.0000070300000000,  0.0000214400000000 ]  - [  -0.0059099200000000, -0.0000010900000000,  0.0000314700000000 ]  - [   0.0001245100000000,  0.0034919000000000,  0.0011899600000000 ]  - [  -0.0000053800000000,  0.0000344000000000,  0.0000110600000000 ]  - [  -0.0000644300000000,  0.0000070300000000, -0.0000214400000000 ]  - [   0.0000079500000000, -0.0000414600000000,  0.0000545900000000 ]  - [   0.0000079500000000, -0.0000414600000000, -0.0000545900000000 ]  - [   0.0001360700000000, -0.0034827100000000,  0.0011464600000000 ]  - [   0.0001245100000000,  0.0034919000000000, -0.0011899600000000 ]  - [  -0.0059099200000000, -0.0000010900000000, -0.0000314700000000 ]  - [   0.0161801800000000,  0.0000040500000000,  0.0005695300000000 ]  - [   0.0000090200000000,  0.0000001400000000,  0.0000014000000000 ]  - [   0.0000090200000000,  0.0000001400000000, -0.0000014000000000 ]  - [   0.0161801800000000,  0.0000040500000000, -0.0005695300000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003113800000000, -0.0001797700000000,  0.0048101200000000 ]  - [  -0.0002852500000000, -0.0001646900000000,  0.0054562100000000 ]  - [   0.0000000000000000,  0.0003293800000000,  0.0054562100000000 ]  - [   0.0000000000000000,  0.0003595400000000,  0.0048101200000000 ]  - [  -0.0003113800000000, -0.0001797700000000,  0.0048101200000000 ]  - [   0.0002814400000000,  0.0001624900000000,  0.0054515800000000 ]  - [   0.0000000000000000, -0.0003249800000000,  0.0054515800000000 ]  - [   0.0002852500000000, -0.0001646900000000,  0.0054562100000000 ]  - [  -0.0002814400000000,  0.0001624900000000,  0.0054515800000000 ]  - [  -0.0003194100000000,  0.0001844100000000,  0.0048015500000000 ]  - [   0.0003194100000000,  0.0001844100000000,  0.0048015500000000 ]  - [   0.0000000000000000, -0.0003688300000000,  0.0048015500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085762100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062615100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062522900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085855600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001951900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043692300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044338800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002320900000000 ]  - [  -0.0076221600000000,  0.0044006600000000,  0.0105432700000000 ]  - [  -0.0011037300000000, -0.0006372400000000,  0.0053109500000000 ]  - [   0.0000000000000000,  0.0012744700000000,  0.0053109500000000 ]  - [   0.0000000000000000, -0.0088013100000000,  0.0105432700000000 ]  - [   0.0076221600000000,  0.0044006600000000,  0.0105432700000000 ]  - [   0.0010948300000000,  0.0006321000000000,  0.0053459600000000 ]  - [   0.0000000000000000, -0.0012642000000000,  0.0053459600000000 ]  - [   0.0011037300000000, -0.0006372400000000,  0.0053109500000000 ]  - [  -0.0010948300000000,  0.0006321000000000,  0.0053459600000000 ]  - [   0.0077087900000000, -0.0044506700000000,  0.0106628200000000 ]  - [  -0.0077087900000000, -0.0044506700000000,  0.0106628200000000 ]  - [   0.0000000000000000,  0.0089013500000000,  0.0106628200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.5661309700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0107878200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0185072900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056513000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079830800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079796300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082776000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087095800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087566800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083292300000000 ]  - [   0.0037704000000000, -0.0021768400000000, -0.0055742600000000 ]  - [   0.0006414200000000,  0.0003703200000000, -0.0073722700000000 ]  - [   0.0000000000000000, -0.0007406500000000, -0.0073722700000000 ]  - [   0.0000000000000000,  0.0043536800000000, -0.0055742600000000 ]  - [  -0.0037704000000000, -0.0021768400000000, -0.0055742600000000 ]  - [  -0.0006489300000000, -0.0003746600000000, -0.0074063700000000 ]  - [   0.0000000000000000,  0.0007493200000000, -0.0074063700000000 ]  - [  -0.0006414200000000,  0.0003703200000000, -0.0073722700000000 ]  - [   0.0006489300000000, -0.0003746600000000, -0.0074063700000000 ]  - [  -0.0037991200000000,  0.0021934200000000, -0.0055961100000000 ]  - [   0.0037991200000000,  0.0021934200000000, -0.0055961100000000 ]  - [   0.0000000000000000, -0.0043868500000000, -0.0055961100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2410088800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0110178100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0110150100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2553405400000000 ]- atom:   35  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000881200000000, -0.0003273100000000,  0.0005645300000000 ]  - [   0.0000054300000000, -0.0000264700000000, -0.0000912700000000 ]  - [   0.0000492900000000,  0.0000029300000000, -0.0000013300000000 ]  - [  -0.0004792300000000, -0.0000047600000000, -0.0000012300000000 ]  - [   0.0000976600000000,  0.0003331200000000, -0.0005645600000000 ]  - [   0.0000054300000000, -0.0000264700000000,  0.0000912700000000 ]  - [   0.0000492900000000,  0.0000029300000000,  0.0000013300000000 ]  - [   0.0000093200000000,  0.0000219900000000,  0.0000891200000000 ]  - [   0.0000093200000000,  0.0000219900000000, -0.0000891200000000 ]  - [   0.0000881200000000, -0.0003273100000000, -0.0005645300000000 ]  - [   0.0000976600000000,  0.0003331200000000,  0.0005645600000000 ]  - [  -0.0004792300000000, -0.0000047600000000,  0.0000012300000000 ]  - [   0.0006737200000000,  0.0000017200000000,  0.0000063900000000 ]  - [  -0.0000326300000000, -0.0000000600000000,  0.0000062800000000 ]  - [  -0.0000326300000000, -0.0000000600000000, -0.0000062800000000 ]  - [   0.0006737200000000,  0.0000017200000000, -0.0000063900000000 ]  - [  -0.0007835100000000,  0.0000054300000000, -0.0000002700000000 ]  - [   0.0000119400000000,  0.0000003000000000, -0.0000100500000000 ]  - [   0.0000119400000000,  0.0000003000000000,  0.0000100500000000 ]  - [  -0.0007835100000000,  0.0000054300000000,  0.0000002700000000 ]  - [  -0.0000773700000000,  0.0010865900000000, -0.0032055100000000 ]  - [  -0.0000021200000000,  0.0000041600000000, -0.0000114400000000 ]  - [  -0.0000077500000000,  0.0000013400000000, -0.0000209800000000 ]  - [   0.0018206300000000, -0.0000104900000000, -0.0000275800000000 ]  - [  -0.0000367400000000, -0.0010816300000000,  0.0031584300000000 ]  - [  -0.0000021200000000,  0.0000041600000000,  0.0000114400000000 ]  - [  -0.0000077500000000,  0.0000013400000000,  0.0000209800000000 ]  - [   0.0000019600000000, -0.0000049400000000, -0.0000286400000000 ]  - [   0.0000019600000000, -0.0000049400000000,  0.0000286400000000 ]  - [  -0.0000773700000000,  0.0010865900000000,  0.0032055100000000 ]  - [  -0.0000367400000000, -0.0010816300000000, -0.0031584300000000 ]  - [   0.0018206300000000, -0.0000104900000000,  0.0000275800000000 ]  - [  -0.0070014000000000, -0.0000500200000000,  0.0000000000000000 ]  - [  -0.0000027500000000,  0.0000003800000000,  0.0000000000000000 ]  - [  -0.0022727200000000, -0.0000096700000000,  0.0000000000000000 ]  - [  -0.0000069200000000,  0.0000030500000000,  0.0000000000000000 ]  - [  -0.0003337400000000,  0.0000000700000000, -0.0000008000000000 ]  - [  -0.0003337400000000,  0.0000000700000000,  0.0000008000000000 ]  - [   0.0005601200000000, -0.0000012600000000,  0.0000306700000000 ]  - [   0.0000708100000000,  0.0000014500000000,  0.0000282500000000 ]  - [   0.0000708100000000,  0.0000014500000000, -0.0000282500000000 ]  - [   0.0005601200000000, -0.0000012600000000, -0.0000306700000000 ]  - [   0.0001066500000000, -0.0019960100000000, -0.0027142300000000 ]  - [  -0.0000077600000000,  0.0000199100000000, -0.0000003900000000 ]  - [  -0.0000419600000000,  0.0000073400000000,  0.0000212600000000 ]  - [  -0.0033413300000000, -0.0000152600000000,  0.0000268300000000 ]  - [   0.0001414700000000,  0.0020054600000000,  0.0027511300000000 ]  - [  -0.0000077600000000,  0.0000199100000000,  0.0000003900000000 ]  - [  -0.0000419600000000,  0.0000073400000000, -0.0000212600000000 ]  - [   0.0000055300000000, -0.0000272600000000,  0.0000431800000000 ]  - [   0.0000055300000000, -0.0000272600000000, -0.0000431800000000 ]  - [   0.0001066500000000, -0.0019960100000000,  0.0027142300000000 ]  - [   0.0001414700000000,  0.0020054600000000, -0.0027511300000000 ]  - [  -0.0033413300000000, -0.0000152600000000, -0.0000268300000000 ]  - [   0.0061373300000000,  0.0000315400000000, -0.0000422500000000 ]  - [   0.0000060400000000,  0.0000002300000000,  0.0000018700000000 ]  - [   0.0000060400000000,  0.0000002300000000, -0.0000018700000000 ]  - [   0.0061373300000000,  0.0000315400000000,  0.0000422500000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002524400000000,  0.0001457500000000, -0.0028333900000000 ]  - [   0.0000881400000000,  0.0000508900000000, -0.0028430600000000 ]  - [   0.0000000000000000, -0.0001017800000000, -0.0028430600000000 ]  - [   0.0000000000000000, -0.0002915000000000, -0.0028333900000000 ]  - [   0.0002524400000000,  0.0001457500000000, -0.0028333900000000 ]  - [  -0.0000942400000000, -0.0000544100000000, -0.0028439700000000 ]  - [   0.0000000000000000,  0.0001088200000000, -0.0028439700000000 ]  - [  -0.0000881400000000,  0.0000508900000000, -0.0028430600000000 ]  - [   0.0000942400000000, -0.0000544100000000, -0.0028439700000000 ]  - [   0.0002466200000000, -0.0001423900000000, -0.0028320100000000 ]  - [  -0.0002466200000000, -0.0001423900000000, -0.0028320100000000 ]  - [   0.0000000000000000,  0.0002847700000000, -0.0028320100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031809900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033307000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033392100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031904400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006121900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022942000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022826900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005915800000000 ]  - [  -0.0029273100000000,  0.0016900800000000, -0.0008742500000000 ]  - [   0.0005787000000000,  0.0003341100000000, -0.0028142900000000 ]  - [   0.0000000000000000, -0.0006682200000000, -0.0028142900000000 ]  - [   0.0000000000000000, -0.0033801600000000, -0.0008742500000000 ]  - [   0.0029273100000000,  0.0016900800000000, -0.0008742500000000 ]  - [  -0.0005799100000000, -0.0003348100000000, -0.0027754600000000 ]  - [   0.0000000000000000,  0.0006696200000000, -0.0027754600000000 ]  - [  -0.0005787000000000,  0.0003341100000000, -0.0028142900000000 ]  - [   0.0005799100000000, -0.0003348100000000, -0.0027754600000000 ]  - [   0.0029347600000000, -0.0016943900000000, -0.0007826100000000 ]  - [  -0.0029347600000000, -0.0016943900000000, -0.0007826100000000 ]  - [   0.0000000000000000,  0.0033887700000000, -0.0007826100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0185049700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056495900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0092252700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029555500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043424100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043418600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047622800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043367900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042827700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047103400000000 ]  - [  -0.0020438500000000,  0.0011800100000000,  0.0056746300000000 ]  - [  -0.0003184900000000, -0.0001838800000000,  0.0038933700000000 ]  - [   0.0000000000000000,  0.0003677600000000,  0.0038933700000000 ]  - [   0.0000000000000000, -0.0023600300000000,  0.0056746300000000 ]  - [   0.0020438500000000,  0.0011800100000000,  0.0056746300000000 ]  - [   0.0003065100000000,  0.0001769700000000,  0.0038495400000000 ]  - [   0.0000000000000000, -0.0003539300000000,  0.0038495400000000 ]  - [   0.0003184900000000, -0.0001838800000000,  0.0038933700000000 ]  - [  -0.0003065100000000,  0.0001769700000000,  0.0038495400000000 ]  - [   0.0020571900000000, -0.0011877200000000,  0.0056647400000000 ]  - [  -0.0020571900000000, -0.0011877200000000,  0.0056647400000000 ]  - [   0.0000000000000000,  0.0023754400000000,  0.0056647400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0137138700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057688200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057648900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0138096600000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0311842400000000, -0.0094438000000000,  0.0102138700000000 ]  - [  -0.0000052200000000, -0.0000033600000000,  0.0000024300000000 ]  - [  -0.0000008900000000,  0.0000043000000000,  0.0000007800000000 ]  - [   0.0148749700000000, -0.0001629100000000, -0.0001080000000000 ]  - [   0.0296257100000000,  0.0084962900000000, -0.0088869300000000 ]  - [   0.0311842400000000,  0.0094438000000000, -0.0102138700000000 ]  - [   0.0148749700000000,  0.0001629100000000,  0.0001080000000000 ]  - [   0.0000047500000000, -0.0000041400000000, -0.0000013300000000 ]  - [   0.0296257100000000, -0.0084962900000000,  0.0088869300000000 ]  - [  -0.0000052200000000,  0.0000033600000000, -0.0000024300000000 ]  - [   0.0000047500000000,  0.0000041400000000,  0.0000013300000000 ]  - [  -0.0000008900000000, -0.0000043000000000, -0.0000007800000000 ]  - [  -0.0041362800000000, -0.0000268200000000, -0.0000160600000000 ]  - [   0.0000002800000000, -0.0000018700000000,  0.0000067300000000 ]  - [  -0.0041362800000000,  0.0000268200000000,  0.0000160600000000 ]  - [   0.0000002800000000,  0.0000018700000000, -0.0000067300000000 ]  - [   0.0070627400000000, -0.0000156900000000, -0.0000247000000000 ]  - [  -0.0000052500000000,  0.0000019700000000, -0.0000188500000000 ]  - [   0.0070627400000000,  0.0000156900000000,  0.0000247000000000 ]  - [  -0.0000052500000000, -0.0000019700000000,  0.0000188500000000 ]  - [  -0.0000270400000000, -0.0025270300000000,  0.0041674600000000 ]  - [  -0.0000077900000000, -0.0000108800000000, -0.0000301600000000 ]  - [   0.0000126100000000,  0.0000012900000000, -0.0000254500000000 ]  - [  -0.0044130100000000,  0.0000073000000000, -0.0000234000000000 ]  - [  -0.0000483400000000,  0.0025250700000000, -0.0042177600000000 ]  - [  -0.0000270400000000,  0.0025270300000000, -0.0041674600000000 ]  - [  -0.0044130100000000, -0.0000073000000000,  0.0000234000000000 ]  - [   0.0000025700000000,  0.0000066800000000, -0.0000212300000000 ]  - [  -0.0000483400000000, -0.0025250700000000,  0.0042177600000000 ]  - [  -0.0000077900000000,  0.0000108800000000,  0.0000301600000000 ]  - [   0.0000025700000000, -0.0000066800000000,  0.0000212300000000 ]  - [   0.0000126100000000, -0.0000012900000000,  0.0000254500000000 ]  - [  -0.0004194800000000, -0.0000006100000000, -0.0000010000000000 ]  - [  -0.0004194800000000,  0.0000006100000000,  0.0000010000000000 ]  - [  -0.0003336000000000, -0.0000029700000000, -0.0000002900000000 ]  - [  -0.0003336000000000,  0.0000029700000000,  0.0000002900000000 ]  - [  -0.1907043700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000028100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0361692600000000, -0.0001367300000000,  0.0001341100000000 ]  - [   0.0000021100000000,  0.0000036100000000,  0.0000294000000000 ]  - [   0.0361692600000000,  0.0001367300000000, -0.0001341100000000 ]  - [   0.0000021100000000, -0.0000036100000000, -0.0000294000000000 ]  - [   0.0029058300000000, -0.0152025100000000, -0.0192417800000000 ]  - [  -0.0000078600000000, -0.0000003800000000,  0.0000116100000000 ]  - [  -0.0000077200000000,  0.0000081400000000,  0.0000192200000000 ]  - [  -0.0235023000000000,  0.0000283200000000,  0.0000100500000000 ]  - [   0.0028290300000000,  0.0152469300000000,  0.0193874300000000 ]  - [   0.0029058300000000,  0.0152025100000000,  0.0192417800000000 ]  - [  -0.0235023000000000, -0.0000283200000000, -0.0000100500000000 ]  - [   0.0000061600000000, -0.0000083200000000,  0.0000267100000000 ]  - [   0.0028290300000000, -0.0152469300000000, -0.0193874300000000 ]  - [  -0.0000078600000000,  0.0000003800000000, -0.0000116100000000 ]  - [   0.0000061600000000,  0.0000083200000000, -0.0000267100000000 ]  - [  -0.0000077200000000, -0.0000081400000000, -0.0000192200000000 ]  - [   0.0035982100000000,  0.0000000800000000, -0.0000126000000000 ]  - [  -0.0000100800000000,  0.0000015100000000, -0.0000030000000000 ]  - [   0.0035982100000000, -0.0000000800000000,  0.0000126000000000 ]  - [  -0.0000100800000000, -0.0000015100000000,  0.0000030000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0147915000000000, -0.0085398800000000,  0.0430515400000000 ]  - [   0.0001492500000000,  0.0000861700000000, -0.0042135000000000 ]  - [   0.0000000000000000, -0.0001723400000000, -0.0042135000000000 ]  - [   0.0000000000000000,  0.0170797500000000,  0.0430515400000000 ]  - [  -0.0147915000000000, -0.0085398800000000,  0.0430515400000000 ]  - [  -0.0136985200000000, -0.0079088500000000,  0.0422627600000000 ]  - [   0.0000000000000000,  0.0158176900000000,  0.0422627600000000 ]  - [  -0.0001492500000000,  0.0000861700000000, -0.0042135000000000 ]  - [   0.0136985200000000, -0.0079088500000000,  0.0422627600000000 ]  - [  -0.0001527500000000,  0.0000881900000000, -0.0042066600000000 ]  - [   0.0001527500000000,  0.0000881900000000, -0.0042066600000000 ]  - [   0.0000000000000000, -0.0001763900000000, -0.0042066600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0219976100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0050072700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0219431800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049933300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063064700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034583700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061943200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033994100000000 ]  - [  -0.0013050300000000,  0.0007534600000000, -0.0023881600000000 ]  - [   0.0008468300000000,  0.0004889200000000, -0.0041652300000000 ]  - [   0.0000000000000000, -0.0009778300000000, -0.0041652300000000 ]  - [   0.0000000000000000, -0.0015069200000000, -0.0023881600000000 ]  - [   0.0013050300000000,  0.0007534600000000, -0.0023881600000000 ]  - [   0.0012983700000000,  0.0007496200000000, -0.0023701400000000 ]  - [   0.0000000000000000, -0.0014992300000000, -0.0023701400000000 ]  - [  -0.0008468300000000,  0.0004889200000000, -0.0041652300000000 ]  - [  -0.0012983700000000,  0.0007496200000000, -0.0023701400000000 ]  - [  -0.0008575100000000,  0.0004950900000000, -0.0041077100000000 ]  - [   0.0008575100000000,  0.0004950900000000, -0.0041077100000000 ]  - [   0.0000000000000000, -0.0009901700000000, -0.0041077100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079783900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0079839800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043403400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043430500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2804691100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065435300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0492388500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064001300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0492782800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063420800000000 ]  - [  -0.0182374700000000,  0.0105294100000000,  0.0151456700000000 ]  - [  -0.0004400600000000, -0.0002540700000000,  0.0057890400000000 ]  - [   0.0000000000000000,  0.0005081400000000,  0.0057890400000000 ]  - [   0.0000000000000000, -0.0210588100000000,  0.0151456700000000 ]  - [   0.0182374700000000,  0.0105294100000000,  0.0151456700000000 ]  - [   0.0179692900000000,  0.0103745700000000,  0.0149751900000000 ]  - [   0.0000000000000000, -0.0207491500000000,  0.0149751900000000 ]  - [   0.0004400600000000, -0.0002540700000000,  0.0057890400000000 ]  - [  -0.0179692900000000,  0.0103745700000000,  0.0149751900000000 ]  - [   0.0004261500000000, -0.0002460400000000,  0.0057481200000000 ]  - [  -0.0004261500000000, -0.0002460400000000,  0.0057481200000000 ]  - [   0.0000000000000000,  0.0004920700000000,  0.0057481200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0094064800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084955200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0094381700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084948900000000 ]- atom:   39  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0676814200000000, -0.0326328900000000, -0.0187443600000000 ]  - [  -0.0000027400000000, -0.0000037800000000,  0.0000026000000000 ]  - [   0.0000012800000000,  0.0000016500000000,  0.0000022800000000 ]  - [   0.0107341500000000,  0.0002894000000000, -0.0000765400000000 ]  - [   0.0717933900000000,  0.0355208300000000,  0.0205844900000000 ]  - [  -0.0008673300000000,  0.0055745000000000, -0.0031609500000000 ]  - [  -0.0105351400000000, -0.0000279500000000,  0.0000740000000000 ]  - [   0.0000011000000000, -0.0000013400000000,  0.0000025000000000 ]  - [  -0.0008759800000000, -0.0055830300000000,  0.0031684600000000 ]  - [  -0.0000021600000000,  0.0000013900000000,  0.0000037000000000 ]  - [   0.0000010600000000,  0.0000013900000000, -0.0000011000000000 ]  - [  -0.0000007300000000, -0.0000025800000000, -0.0000004700000000 ]  - [  -0.0048984400000000,  0.0000598300000000, -0.0000526100000000 ]  - [   0.0000002500000000, -0.0000013000000000,  0.0000081700000000 ]  - [   0.0172342100000000,  0.0000123000000000,  0.0002243800000000 ]  - [  -0.0000009200000000,  0.0000018600000000, -0.0000040500000000 ]  - [  -0.0097055400000000, -0.0000088600000000,  0.0000456700000000 ]  - [   0.0000022100000000,  0.0000019800000000, -0.0000032200000000 ]  - [  -0.0000299400000000, -0.0000149200000000,  0.0000218700000000 ]  - [   0.0000062700000000, -0.0000021200000000,  0.0000054900000000 ]  - [  -0.0003357400000000,  0.0035052000000000, -0.0050295900000000 ]  - [  -0.0000013300000000,  0.0000027800000000, -0.0000183500000000 ]  - [  -0.0000045000000000, -0.0000003300000000, -0.0000167300000000 ]  - [   0.0057089500000000,  0.0000150700000000, -0.0000341200000000 ]  - [  -0.0003763500000000, -0.0034983500000000,  0.0049622600000000 ]  - [   0.0006507900000000,  0.0004731600000000,  0.0016110800000000 ]  - [  -0.0001536100000000,  0.0000186400000000,  0.0000007900000000 ]  - [   0.0000046600000000, -0.0000043900000000, -0.0000134200000000 ]  - [   0.0006873200000000, -0.0004771400000000, -0.0015846000000000 ]  - [   0.0000009000000000, -0.0000123000000000,  0.0000142600000000 ]  - [   0.0000062100000000,  0.0000136300000000,  0.0000255300000000 ]  - [  -0.0000188300000000,  0.0000014900000000,  0.0000192900000000 ]  - [   0.0007161200000000, -0.0000013000000000,  0.0000005900000000 ]  - [   0.0001844800000000,  0.0000012200000000,  0.0000014700000000 ]  - [   0.0005635800000000, -0.0000032600000000, -0.0000015600000000 ]  - [   0.0000678100000000,  0.0000036400000000, -0.0000015200000000 ]  - [   0.0361679100000000,  0.0001779700000000,  0.0000904800000000 ]  - [   0.0000017300000000, -0.0000005100000000, -0.0000022000000000 ]  - [  -0.2283315700000000, -0.0033358800000000, -0.0021089700000000 ]  - [   0.0000003800000000,  0.0000032800000000,  0.0000252700000000 ]  - [   0.0126258000000000, -0.0001489100000000, -0.0000840600000000 ]  - [  -0.0000021400000000, -0.0000014500000000, -0.0000303200000000 ]  - [   0.0005375400000000,  0.0200658600000000,  0.0118805600000000 ]  - [  -0.0000069200000000, -0.0000036300000000,  0.0000189500000000 ]  - [   0.0000002300000000,  0.0000066500000000,  0.0000176700000000 ]  - [   0.0352414300000000,  0.0000649600000000,  0.0001287500000000 ]  - [   0.0003772400000000, -0.0200985500000000, -0.0118063100000000 ]  - [   0.0002640000000000, -0.0007973000000000, -0.0039981200000000 ]  - [   0.0017297700000000,  0.0000536700000000,  0.0000157100000000 ]  - [   0.0000059900000000, -0.0000028100000000,  0.0000174900000000 ]  - [   0.0004334300000000,  0.0007974300000000,  0.0039149000000000 ]  - [  -0.0000058500000000,  0.0000095100000000, -0.0000343400000000 ]  - [   0.0000058900000000, -0.0000014000000000, -0.0000109500000000 ]  - [   0.0000094800000000, -0.0000072600000000, -0.0000228900000000 ]  - [  -0.0063899100000000,  0.0000024100000000, -0.0000338500000000 ]  - [   0.0000084900000000,  0.0000003500000000, -0.0000036400000000 ]  - [  -0.0009257000000000, -0.0000068700000000, -0.0000078500000000 ]  - [   0.0000159100000000, -0.0000016100000000, -0.0000019700000000 ]- atom:   39  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0274299300000000,  0.0158366700000000,  0.0395178100000000 ]  - [   0.0001387800000000,  0.0000801200000000, -0.0041052400000000 ]  - [   0.0000000000000000, -0.0001602500000000, -0.0041052400000000 ]  - [   0.0000000000000000, -0.0316733500000000,  0.0395178100000000 ]  - [   0.0274299300000000,  0.0158366700000000,  0.0395178100000000 ]  - [  -0.0014283100000000, -0.0008246400000000,  0.0144050600000000 ]  - [   0.0000000000000000,  0.0016492700000000,  0.0144050600000000 ]  - [  -0.0001387800000000,  0.0000801200000000, -0.0041052400000000 ]  - [   0.0014283100000000, -0.0008246400000000,  0.0144050600000000 ]  - [  -0.0001394900000000,  0.0000805300000000, -0.0041067400000000 ]  - [   0.0001394900000000,  0.0000805300000000, -0.0041067400000000 ]  - [   0.0000000000000000, -0.0001610700000000, -0.0041067400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0197393900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048928800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1009140200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048968200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047430900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033213700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009598900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032565300000000 ]  - [  -0.0040192000000000,  0.0023204900000000, -0.0023024300000000 ]  - [   0.0008581900000000,  0.0004954800000000, -0.0040969100000000 ]  - [   0.0000000000000000, -0.0009909500000000, -0.0040969100000000 ]  - [   0.0000000000000000, -0.0046409700000000, -0.0023024300000000 ]  - [   0.0040192000000000,  0.0023204900000000, -0.0023024300000000 ]  - [  -0.0046281000000000, -0.0026720300000000, -0.0062277900000000 ]  - [   0.0000000000000000,  0.0053440700000000, -0.0062277900000000 ]  - [  -0.0008581900000000,  0.0004954800000000, -0.0040969100000000 ]  - [   0.0046281000000000, -0.0026720300000000, -0.0062277900000000 ]  - [  -0.0008457300000000,  0.0004882800000000, -0.0040567400000000 ]  - [   0.0008457300000000,  0.0004882800000000, -0.0040567400000000 ]  - [   0.0000000000000000, -0.0009765700000000, -0.0040567400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083158600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0087446200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047449600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043160200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0491421000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063785900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2223297500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062525000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0320056500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062050900000000 ]  - [   0.0015131300000000, -0.0008736000000000, -0.0055571100000000 ]  - [  -0.0004626100000000, -0.0002670900000000,  0.0056364700000000 ]  - [   0.0000000000000000,  0.0005341800000000,  0.0056364700000000 ]  - [   0.0000000000000000,  0.0017472100000000, -0.0055571100000000 ]  - [  -0.0015131300000000, -0.0008736000000000, -0.0055571100000000 ]  - [  -0.0154350700000000, -0.0089114400000000,  0.0117599200000000 ]  - [   0.0000000000000000,  0.0178228800000000,  0.0117599200000000 ]  - [   0.0004626100000000, -0.0002670900000000,  0.0056364700000000 ]  - [   0.0154350700000000, -0.0089114400000000,  0.0117599200000000 ]  - [   0.0004614000000000, -0.0002663900000000,  0.0056026000000000 ]  - [  -0.0004614000000000, -0.0002663900000000,  0.0056026000000000 ]  - [   0.0000000000000000,  0.0005327700000000,  0.0056026000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0193629000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084623400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070330800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083869700000000 ]- atom:   39  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0271213900000000, -0.0156585400000000, -0.0397485200000000 ]  - [  -0.0001415800000000, -0.0000817400000000,  0.0040919900000000 ]  - [   0.0000000000000000,  0.0001634800000000,  0.0040919900000000 ]  - [   0.0000000000000000,  0.0313170800000000, -0.0397485200000000 ]  - [  -0.0271213900000000, -0.0156585400000000, -0.0397485200000000 ]  - [   0.0014312100000000,  0.0008263100000000, -0.0144773000000000 ]  - [   0.0000000000000000, -0.0016526200000000, -0.0144773000000000 ]  - [   0.0001415800000000, -0.0000817400000000,  0.0040919900000000 ]  - [  -0.0014312100000000,  0.0008263100000000, -0.0144773000000000 ]  - [   0.0001342500000000, -0.0000775100000000,  0.0040961500000000 ]  - [  -0.0001342500000000, -0.0000775100000000,  0.0040961500000000 ]  - [   0.0000000000000000,  0.0001550200000000,  0.0040961500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0195932400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048745500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1086691200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048837000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046643400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032541400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009140600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033022000000000 ]  - [   0.0039293900000000, -0.0022686400000000,  0.0022844100000000 ]  - [  -0.0008669100000000, -0.0005005100000000,  0.0040377200000000 ]  - [   0.0000000000000000,  0.0010010200000000,  0.0040377200000000 ]  - [   0.0000000000000000,  0.0045372700000000,  0.0022844100000000 ]  - [  -0.0039293900000000, -0.0022686400000000,  0.0022844100000000 ]  - [   0.0046048200000000,  0.0026586000000000,  0.0062611800000000 ]  - [   0.0000000000000000, -0.0053171900000000,  0.0062611800000000 ]  - [   0.0008669100000000, -0.0005005100000000,  0.0040377200000000 ]  - [  -0.0046048200000000,  0.0026586000000000,  0.0062611800000000 ]  - [   0.0008347400000000, -0.0004819400000000,  0.0040900500000000 ]  - [  -0.0008347400000000, -0.0004819400000000,  0.0040900500000000 ]  - [   0.0000000000000000,  0.0009638800000000,  0.0040900500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0082907100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0087209800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047237600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043035300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0493777600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063607900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2313862600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061819700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0321188200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062410600000000 ]  - [  -0.0014421500000000,  0.0008326300000000,  0.0052783700000000 ]  - [   0.0004504000000000,  0.0002600400000000, -0.0055804300000000 ]  - [   0.0000000000000000, -0.0005200800000000, -0.0055804300000000 ]  - [   0.0000000000000000, -0.0016652500000000,  0.0052783700000000 ]  - [   0.0014421500000000,  0.0008326300000000,  0.0052783700000000 ]  - [   0.0154660200000000,  0.0089293100000000, -0.0119033000000000 ]  - [   0.0000000000000000, -0.0178586200000000, -0.0119033000000000 ]  - [  -0.0004504000000000,  0.0002600400000000, -0.0055804300000000 ]  - [  -0.0154660200000000,  0.0089293100000000, -0.0119033000000000 ]  - [  -0.0004697200000000,  0.0002711900000000, -0.0056256800000000 ]  - [   0.0004697200000000,  0.0002711900000000, -0.0056256800000000 ]  - [   0.0000000000000000, -0.0005423900000000, -0.0056256800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0191560700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084387800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0070109500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0083654200000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0080143700000000,  0.0023476600000000,  0.0018672600000000 ]  - [  -0.0000159500000000, -0.0000109800000000,  0.0002939300000000 ]  - [   0.0000018900000000,  0.0000165000000000,  0.0002944200000000 ]  - [   0.0032414500000000, -0.0063292500000000,  0.0084958100000000 ]  - [   0.0168021600000000,  0.0027413800000000,  0.0015180000000000 ]  - [  -0.0037799500000000,  0.0002711800000000,  0.0007329500000000 ]  - [   0.0002253900000000,  0.0026343300000000, -0.0035281100000000 ]  - [   0.0000148700000000, -0.0000082100000000,  0.0002943700000000 ]  - [   0.0035105000000000,  0.0001005700000000,  0.0005256500000000 ]  - [  -0.0000334800000000,  0.0000158400000000,  0.0002733000000000 ]  - [   0.0000333300000000,  0.0000183000000000,  0.0002753300000000 ]  - [  -0.0000023900000000, -0.0000341100000000,  0.0002594400000000 ]  - [   0.0087099000000000,  0.0039314600000000, -0.0061895600000000 ]  - [  -0.0000005200000000, -0.0000017200000000,  0.0003479300000000 ]  - [   0.0003504800000000, -0.0018468000000000,  0.0045306000000000 ]  - [   0.0000012400000000,  0.0000010800000000,  0.0003982800000000 ]  - [   0.0665534200000000, -0.0285734900000000,  0.0330316600000000 ]  - [   0.0000007800000000,  0.0000017500000000,  0.0002210800000000 ]  - [   0.0000039500000000,  0.0003074300000000, -0.0005531300000000 ]  - [  -0.0000020400000000, -0.0000169700000000, -0.0000039100000000 ]  - [  -0.0064986100000000,  0.0003570000000000,  0.0007261800000000 ]  - [  -0.0000652900000000, -0.0000353200000000,  0.0002700900000000 ]  - [  -0.0000009800000000,  0.0000702700000000,  0.0002694600000000 ]  - [   0.0518134300000000,  0.0188428200000000, -0.0249324500000000 ]  - [   0.0154612400000000, -0.0013538700000000,  0.0011858800000000 ]  - [   0.0004515200000000,  0.0000935900000000,  0.0004163500000000 ]  - [  -0.0000194100000000, -0.0004198300000000,  0.0009930000000000 ]  - [   0.0000653300000000, -0.0000365000000000,  0.0002709400000000 ]  - [  -0.0004242000000000,  0.0000794800000000,  0.0004025500000000 ]  - [   0.0001851600000000, -0.0000457500000000,  0.0004751400000000 ]  - [  -0.0001824500000000, -0.0000450300000000,  0.0004640400000000 ]  - [   0.0000004000000000,  0.0000999900000000,  0.0004590900000000 ]  - [   0.0001488700000000, -0.0034874600000000,  0.0037848400000000 ]  - [   0.0000002100000000, -0.0000374700000000,  0.0006465400000000 ]  - [   0.0001387800000000, -0.0020030800000000, -0.0020480800000000 ]  - [  -0.0000049500000000, -0.0000200400000000, -0.0003130500000000 ]  - [   0.0028242700000000, -0.0152490500000000, -0.0181487100000000 ]  - [  -0.0000007000000000, -0.0000046500000000, -0.0004335000000000 ]  - [   0.0005079000000000,  0.0200842600000000,  0.0014954100000000 ]  - [  -0.0000006000000000,  0.0000031800000000, -0.0004309500000000 ]  - [   0.0003337100000000,  0.0008037100000000,  0.0154167000000000 ]  - [   0.0000011600000000,  0.0000049900000000, -0.0004934800000000 ]  - [  -0.2574706000000000,  0.0331412900000000, -0.0014600800000000 ]  - [   0.0000312000000000,  0.0000172800000000, -0.0003762900000000 ]  - [   0.0000014800000000, -0.0000348500000000, -0.0003757000000000 ]  - [   0.0077398300000000, -0.0499732800000000, -0.0145902200000000 ]  - [   0.0952759900000000, -0.0006095000000000,  0.0008165500000000 ]  - [   0.0022080500000000,  0.0001213300000000, -0.0003731700000000 ]  - [  -0.0000202900000000, -0.0014078100000000, -0.0016447200000000 ]  - [  -0.0000295400000000,  0.0000174600000000, -0.0003764900000000 ]  - [  -0.0022475700000000,  0.0000932500000000, -0.0003641400000000 ]  - [  -0.0002145900000000,  0.0000940600000000, -0.0003960400000000 ]  - [   0.0002123100000000,  0.0000977700000000, -0.0003994200000000 ]  - [  -0.0000037700000000, -0.0002215500000000, -0.0003449500000000 ]  - [   0.0021742800000000,  0.0252241500000000, -0.0014503800000000 ]  - [  -0.0000010000000000, -0.0000011500000000, -0.0006046200000000 ]  - [  -0.0000026000000000,  0.0002566800000000, -0.0005377000000000 ]  - [   0.0000113800000000, -0.0000823500000000, -0.0010839300000000 ]- atom:   43  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0080072200000000, -0.0022917100000000, -0.0018523800000000 ]  - [   0.0000086100000000,  0.0000017500000000, -0.0002902300000000 ]  - [   0.0000018500000000, -0.0000104900000000, -0.0002912600000000 ]  - [  -0.0024804600000000,  0.0065882200000000, -0.0089952000000000 ]  - [  -0.0167767200000000, -0.0026729000000000, -0.0014331300000000 ]  - [   0.0037716300000000, -0.0002973200000000, -0.0007419200000000 ]  - [  -0.0001988900000000, -0.0026257600000000,  0.0035245200000000 ]  - [  -0.0000095900000000,  0.0000043600000000, -0.0002901400000000 ]  - [  -0.0035016200000000, -0.0000856700000000, -0.0005199600000000 ]  - [   0.0000275100000000, -0.0000134500000000, -0.0002735900000000 ]  - [  -0.0000276800000000, -0.0000120100000000, -0.0002734200000000 ]  - [  -0.0000015700000000,  0.0000250900000000, -0.0002625900000000 ]  - [  -0.0097166200000000, -0.0034557500000000,  0.0054916200000000 ]  - [  -0.0000005800000000, -0.0000007100000000, -0.0003318900000000 ]  - [  -0.0003653700000000,  0.0018447200000000, -0.0045428400000000 ]  - [  -0.0000005800000000,  0.0000026300000000, -0.0004103400000000 ]  - [  -0.0632448600000000,  0.0263489600000000, -0.0309625700000000 ]  - [   0.0000008800000000,  0.0000020500000000, -0.0002363300000000 ]  - [  -0.0000091100000000, -0.0003106800000000,  0.0005758700000000 ]  - [   0.0000001100000000,  0.0000125600000000,  0.0000226900000000 ]  - [   0.0064969700000000, -0.0004438100000000, -0.0007873200000000 ]  - [   0.0000595400000000,  0.0000351700000000, -0.0003083300000000 ]  - [  -0.0000009000000000, -0.0000712300000000, -0.0003080400000000 ]  - [  -0.0545168200000000, -0.0206167500000000,  0.0268506100000000 ]  - [  -0.0154424000000000,  0.0008206800000000, -0.0015177600000000 ]  - [  -0.0004508400000000, -0.0000913600000000, -0.0003790700000000 ]  - [   0.0000184900000000,  0.0004247000000000, -0.0009526100000000 ]  - [  -0.0000599000000000,  0.0000340500000000, -0.0003070400000000 ]  - [   0.0004278100000000, -0.0000820300000000, -0.0003658900000000 ]  - [  -0.0001914100000000,  0.0000488200000000, -0.0004316800000000 ]  - [   0.0001874900000000,  0.0000451000000000, -0.0004243500000000 ]  - [   0.0000017900000000, -0.0000973700000000, -0.0004186400000000 ]  - [  -0.0001146100000000,  0.0034874200000000, -0.0037862000000000 ]  - [  -0.0000021700000000,  0.0000381400000000, -0.0006431700000000 ]  - [  -0.0001109000000000,  0.0019993200000000,  0.0020550200000000 ]  - [  -0.0000054100000000,  0.0000260600000000,  0.0003114500000000 ]  - [  -0.0029112700000000,  0.0152023000000000,  0.0180576600000000 ]  - [   0.0000005400000000,  0.0000035000000000,  0.0004317100000000 ]  - [  -0.0004069900000000, -0.0200831600000000, -0.0014565700000000 ]  - [   0.0000000100000000,  0.0000032900000000,  0.0004846700000000 ]  - [  -0.0003631900000000, -0.0007912500000000, -0.0154907500000000 ]  - [   0.0000007000000000, -0.0000070500000000,  0.0004351800000000 ]  - [   0.2571780000000000, -0.0293502600000000, -0.0010948800000000 ]  - [  -0.0000441000000000, -0.0000242700000000,  0.0004169300000000 ]  - [  -0.0000007400000000,  0.0000489300000000,  0.0004151600000000 ]  - [  -0.0076741900000000,  0.0500344000000000,  0.0146503000000000 ]  - [  -0.0953142100000000,  0.0005122900000000, -0.0007407400000000 ]  - [  -0.0022193800000000, -0.0001301100000000,  0.0003316500000000 ]  - [   0.0000199700000000,  0.0014230500000000,  0.0015989700000000 ]  - [   0.0000434200000000, -0.0000241500000000,  0.0004167000000000 ]  - [   0.0022591700000000, -0.0001018200000000,  0.0003202300000000 ]  - [   0.0002023500000000, -0.0000862400000000,  0.0003519900000000 ]  - [  -0.0002009400000000, -0.0000884000000000,  0.0003548000000000 ]  - [   0.0000020100000000,  0.0002065700000000,  0.0002998600000000 ]  - [  -0.0023467600000000, -0.0251830700000000,  0.0015066400000000 ]  - [  -0.0000006500000000,  0.0000018400000000,  0.0006021400000000 ]  - [   0.0000014700000000, -0.0002562000000000,  0.0005320200000000 ]  - [  -0.0000061300000000,  0.0000790100000000,  0.0010824000000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0004325500000000,  0.0002497300000000,  0.0238735300000000 ]  - [   0.0001251400000000,  0.0000685000000000, -0.0037091500000000 ]  - [   0.0000032500000000, -0.0001426300000000, -0.0037091500000000 ]  - [   0.0048463600000000,  0.0004418600000000,  0.0246723900000000 ]  - [   0.0020405200000000, -0.0044180000000000,  0.0246723900000000 ]  - [   0.0003177100000000, -0.0019255800000000, -0.0023127100000000 ]  - [   0.0018264600000000,  0.0006876500000000, -0.0023127100000000 ]  - [  -0.0001253300000000,  0.0000723600000000, -0.0037059400000000 ]  - [   0.0005358300000000, -0.0003093600000000, -0.0059300100000000 ]  - [  -0.0001380600000000,  0.0000797100000000, -0.0037362800000000 ]  - [   0.0001416300000000,  0.0000910300000000, -0.0037083500000000 ]  - [  -0.0000080200000000, -0.0001681700000000, -0.0037083500000000 ]  - [   0.0015749600000000, -0.0009093000000000,  0.0369106500000000 ]  - [  -0.0000007700000000,  0.0000004400000000, -0.0044108300000000 ]  - [  -0.0014351400000000,  0.0008285800000000, -0.0033440700000000 ]  - [   0.0000088400000000, -0.0000051000000000, -0.0043941900000000 ]  - [   0.0326773600000000, -0.0188662800000000,  0.0516293900000000 ]  - [  -0.0000003500000000,  0.0000002000000000, -0.0030172100000000 ]  - [   0.0003849100000000, -0.0002222300000000, -0.0031562400000000 ]  - [  -0.0000422500000000,  0.0000244000000000, -0.0030405600000000 ]  - [  -0.0032469900000000,  0.0018746500000000,  0.0214117600000000 ]  - [   0.0007592400000000,  0.0004388600000000, -0.0036896700000000 ]  - [  -0.0000004400000000, -0.0008769500000000, -0.0036896700000000 ]  - [  -0.0266424800000000, -0.0202104100000000,  0.0479237400000000 ]  - [   0.0041814900000000,  0.0331782700000000,  0.0479237400000000 ]  - [  -0.0007835300000000, -0.0002238200000000, -0.0037751000000000 ]  - [  -0.0001979300000000,  0.0007904700000000, -0.0037751000000000 ]  - [  -0.0007581700000000,  0.0004377300000000, -0.0036893200000000 ]  - [   0.0007167200000000, -0.0004138000000000, -0.0031932400000000 ]  - [  -0.0007285100000000,  0.0004206100000000, -0.0035061300000000 ]  - [   0.0007257100000000,  0.0003291300000000, -0.0036147700000000 ]  - [   0.0000778200000000, -0.0007930400000000, -0.0036147700000000 ]  - [  -0.0011615800000000,  0.0006706400000000, -0.0055713100000000 ]  - [  -0.0000335600000000,  0.0000193800000000, -0.0073932200000000 ]  - [  -0.0027480700000000,  0.0015866000000000,  0.0056879500000000 ]  - [  -0.0000269500000000,  0.0000155600000000,  0.0038755700000000 ]  - [  -0.0191931300000000,  0.0110811600000000,  0.0149664900000000 ]  - [  -0.0000075700000000,  0.0000043700000000,  0.0057718600000000 ]  - [   0.0118632200000000, -0.0068492300000000, -0.0053554300000000 ]  - [  -0.0000003400000000,  0.0000001900000000,  0.0056434300000000 ]  - [   0.0038943800000000, -0.0022484200000000,  0.0117805700000000 ]  - [   0.0000127400000000, -0.0000073600000000,  0.0055855100000000 ]  - [  -0.0001178700000000,  0.0000680500000000, -0.1760969600000000 ]  - [  -0.0004048600000000, -0.0002329400000000,  0.0050992200000000 ]  - [  -0.0000007000000000,  0.0004670900000000,  0.0050992200000000 ]  - [  -0.0153872100000000, -0.0079979000000000, -0.0605174500000000 ]  - [  -0.0007672200000000,  0.0173246600000000, -0.0605174500000000 ]  - [   0.0003436100000000,  0.0016520900000000,  0.0055175800000000 ]  - [  -0.0012589500000000, -0.0011236200000000,  0.0055175800000000 ]  - [   0.0004053100000000, -0.0002340100000000,  0.0051017700000000 ]  - [  -0.0003335000000000,  0.0001925500000000,  0.0040981400000000 ]  - [   0.0003670300000000, -0.0002119000000000,  0.0051573200000000 ]  - [  -0.0003705500000000, -0.0001485600000000,  0.0050409800000000 ]  - [  -0.0000566100000000,  0.0003951800000000,  0.0050409800000000 ]  - [   0.0083402600000000, -0.0048152500000000,  0.0018001900000000 ]  - [  -0.0000020200000000,  0.0000011700000000,  0.0075536100000000 ]  - [   0.0002380400000000, -0.0001374300000000,  0.0075883300000000 ]  - [   0.0000027000000000, -0.0000015600000000,  0.0072514600000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0004239500000000, -0.0002447700000000, -0.0238907700000000 ]  - [  -0.0001332200000000, -0.0000776900000000,  0.0037064100000000 ]  - [   0.0000006700000000,  0.0001542100000000,  0.0037064100000000 ]  - [  -0.0043120500000000, -0.0001554600000000, -0.0253388900000000 ]  - [  -0.0020213900000000,  0.0038120700000000, -0.0253388900000000 ]  - [  -0.0003305700000000,  0.0019024200000000,  0.0022793300000000 ]  - [  -0.0018128300000000, -0.0006649300000000,  0.0022793300000000 ]  - [   0.0001320800000000, -0.0000762600000000,  0.0037032800000000 ]  - [  -0.0005387200000000,  0.0003110300000000,  0.0059596400000000 ]  - [   0.0001300400000000, -0.0000750800000000,  0.0037306400000000 ]  - [  -0.0001326300000000, -0.0000816700000000,  0.0037027300000000 ]  - [   0.0000044200000000,  0.0001556900000000,  0.0037027300000000 ]  - [  -0.0022519600000000,  0.0013001700000000, -0.0376024600000000 ]  - [   0.0000011000000000, -0.0000006300000000,  0.0044163900000000 ]  - [   0.0014282300000000, -0.0008245900000000,  0.0033009800000000 ]  - [  -0.0000092800000000,  0.0000053600000000,  0.0043803300000000 ]  - [  -0.0318066600000000,  0.0183635800000000, -0.0515458100000000 ]  - [  -0.0000002700000000,  0.0000001600000000,  0.0029756700000000 ]  - [  -0.0003951200000000,  0.0002281200000000,  0.0031940100000000 ]  - [   0.0000422500000000, -0.0000243900000000,  0.0030801300000000 ]  - [   0.0032448700000000, -0.0018734300000000, -0.0214429700000000 ]  - [  -0.0007655500000000, -0.0004397400000000,  0.0036353800000000 ]  - [  -0.0000019500000000,  0.0008828600000000,  0.0036353800000000 ]  - [   0.0256308400000000,  0.0195901200000000, -0.0475777700000000 ]  - [  -0.0041501200000000, -0.0319920200000000, -0.0475777700000000 ]  - [   0.0007738600000000,  0.0002148800000000,  0.0038241200000000 ]  - [   0.0002008400000000, -0.0007776200000000,  0.0038241200000000 ]  - [   0.0007674500000000, -0.0004430900000000,  0.0036363000000000 ]  - [  -0.0007060900000000,  0.0004076600000000,  0.0032324900000000 ]  - [   0.0007190400000000, -0.0004151400000000,  0.0035547300000000 ]  - [  -0.0007200200000000, -0.0003298700000000,  0.0036593400000000 ]  - [  -0.0000743400000000,  0.0007884900000000,  0.0036593400000000 ]  - [   0.0011746200000000, -0.0006781700000000,  0.0056013400000000 ]  - [   0.0000320700000000, -0.0000185100000000,  0.0073853000000000 ]  - [   0.0027182300000000, -0.0015693700000000, -0.0056506900000000 ]  - [   0.0000168700000000, -0.0000097400000000, -0.0038719900000000 ]  - [   0.0194395400000000, -0.0112234200000000, -0.0151542200000000 ]  - [   0.0000075300000000, -0.0000043500000000, -0.0057647000000000 ]  - [  -0.0118252700000000,  0.0068273200000000,  0.0054733500000000 ]  - [  -0.0000014000000000,  0.0000008100000000, -0.0055781800000000 ]  - [  -0.0040205500000000,  0.0023212700000000, -0.0118797700000000 ]  - [  -0.0000111700000000,  0.0000064500000000, -0.0056410700000000 ]  - [   0.0002366500000000, -0.0001366300000000,  0.1774876900000000 ]  - [   0.0003907600000000,  0.0002237500000000, -0.0050534700000000 ]  - [   0.0000016100000000, -0.0004502800000000, -0.0050534700000000 ]  - [   0.0154107600000000,  0.0079857900000000,  0.0605927700000000 ]  - [   0.0007894800000000, -0.0173390000000000,  0.0605927700000000 ]  - [  -0.0003591200000000, -0.0016853600000000, -0.0055574000000000 ]  - [   0.0012800100000000,  0.0011536900000000, -0.0055574000000000 ]  - [  -0.0003903000000000,  0.0002253400000000, -0.0050563200000000 ]  - [   0.0003486800000000, -0.0002013100000000, -0.0041194600000000 ]  - [  -0.0003793200000000,  0.0002190000000000, -0.0051901200000000 ]  - [   0.0003819400000000,  0.0001587900000000, -0.0050766500000000 ]  - [   0.0000534600000000, -0.0004101700000000, -0.0050766500000000 ]  - [  -0.0083939200000000,  0.0048462300000000, -0.0019408800000000 ]  - [  -0.0000005300000000,  0.0000003000000000, -0.0075472000000000 ]  - [  -0.0002403000000000,  0.0001387400000000, -0.0075789000000000 ]  - [   0.0000028100000000, -0.0000016200000000, -0.0072485600000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009904800000000,  0.0039333100000000, -0.0039238000000000 ]  - [  -0.0000032400000000, -0.0000041400000000, -0.0000033000000000 ]  - [   0.0000015900000000,  0.0000037000000000,  0.0000022100000000 ]  - [   0.0058407600000000, -0.0000155000000000,  0.0000329300000000 ]  - [  -0.0009448000000000, -0.0039284600000000,  0.0039570600000000 ]  - [  -0.0001072100000000,  0.0001891500000000, -0.0010281200000000 ]  - [  -0.0004358700000000,  0.0000083300000000, -0.0000002700000000 ]  - [   0.0000052100000000, -0.0000034500000000,  0.0000088200000000 ]  - [  -0.0000939600000000, -0.0001978500000000,  0.0010295500000000 ]  - [  -0.0000089100000000, -0.0000123400000000, -0.0000062700000000 ]  - [  -0.0000001900000000,  0.0000178500000000,  0.0000101000000000 ]  - [  -0.0000307400000000, -0.0000053900000000, -0.0000005900000000 ]  - [  -0.0090607100000000,  0.0000044400000000, -0.0000582700000000 ]  - [  -0.0000007400000000, -0.0000013900000000,  0.0000082300000000 ]  - [   0.0002957700000000,  0.0000005400000000,  0.0000008900000000 ]  - [   0.0000998000000000,  0.0000021400000000, -0.0000017900000000 ]  - [  -0.0058615400000000, -0.0000647600000000,  0.0000510700000000 ]  - [   0.0000019700000000,  0.0000017900000000, -0.0000137500000000 ]  - [  -0.0001487000000000, -0.0000015000000000,  0.0000186300000000 ]  - [  -0.0000242200000000, -0.0000032200000000,  0.0000145000000000 ]  - [   0.0834818200000000, -0.0401890200000000, -0.0308460400000000 ]  - [  -0.0000041300000000, -0.0000004500000000, -0.0000218600000000 ]  - [  -0.0000018000000000,  0.0000009200000000, -0.0000221100000000 ]  - [   0.0143702000000000, -0.0003571600000000,  0.0001006900000000 ]  - [   0.0793080200000000,  0.0372287300000000,  0.0283927100000000 ]  - [   0.0000086500000000, -0.0000413500000000,  0.0001220700000000 ]  - [   0.0000809800000000,  0.0000028900000000,  0.0000256300000000 ]  - [   0.0000040800000000, -0.0000024100000000, -0.0000212600000000 ]  - [   0.0000108200000000,  0.0000408900000000, -0.0000733100000000 ]  - [   0.0003699100000000, -0.0003738400000000,  0.0006860900000000 ]  - [   0.0003660000000000,  0.0003748900000000, -0.0006269900000000 ]  - [  -0.0002802800000000,  0.0000052700000000,  0.0000320000000000 ]  - [   0.0161791500000000, -0.0000237800000000, -0.0007333400000000 ]  - [   0.0000095800000000,  0.0000004000000000,  0.0000043700000000 ]  - [   0.0061409900000000, -0.0000436100000000,  0.0000274200000000 ]  - [   0.0000024100000000,  0.0000030700000000, -0.0000021400000000 ]  - [   0.0035998200000000, -0.0000027500000000, -0.0000140200000000 ]  - [  -0.0000100100000000, -0.0000008700000000, -0.0000025500000000 ]  - [  -0.0063913500000000,  0.0000047700000000,  0.0000556700000000 ]  - [   0.0000093600000000,  0.0000038600000000,  0.0000249300000000 ]  - [  -0.0009249200000000,  0.0000000500000000, -0.0000220500000000 ]  - [   0.0000144000000000, -0.0000011400000000, -0.0000314800000000 ]  - [   0.0021482400000000,  0.0252345600000000,  0.0083611700000000 ]  - [  -0.0000069300000000, -0.0000021700000000,  0.0000174800000000 ]  - [  -0.0000022400000000,  0.0000072900000000,  0.0000174500000000 ]  - [   0.0459147100000000, -0.0001070800000000, -0.0001442800000000 ]  - [   0.0023724300000000, -0.0251720800000000, -0.0083727400000000 ]  - [  -0.0000067500000000, -0.0002598900000000, -0.0002625500000000 ]  - [   0.0004425000000000,  0.0000058400000000, -0.0000240700000000 ]  - [   0.0000070700000000, -0.0000048100000000,  0.0000184600000000 ]  - [   0.0000030500000000,  0.0002532300000000,  0.0002154300000000 ]  - [  -0.0000004200000000, -0.0000762300000000, -0.0000229200000000 ]  - [   0.0000177000000000,  0.0000859800000000, -0.0000238000000000 ]  - [  -0.0001318000000000, -0.0000099200000000, -0.0000214500000000 ]  - [  -0.2363668700000000,  0.0034965900000000,  0.0030933300000000 ]  - [   0.0000003500000000,  0.0000003200000000, -0.0000037700000000 ]  - [  -0.0000818400000000,  0.0000000300000000, -0.0000055900000000 ]  - [   0.0008133200000000, -0.0000042700000000,  0.0000055900000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0024712300000000,  0.0014267600000000, -0.0036829100000000 ]  - [   0.0002079500000000,  0.0001200600000000, -0.0055224500000000 ]  - [   0.0000000000000000, -0.0002401200000000, -0.0055224500000000 ]  - [   0.0000000000000000, -0.0028535300000000, -0.0036829100000000 ]  - [   0.0024712300000000,  0.0014267600000000, -0.0036829100000000 ]  - [   0.0001232300000000,  0.0000711500000000, -0.0055423800000000 ]  - [   0.0000000000000000, -0.0001422900000000, -0.0055423800000000 ]  - [  -0.0002079500000000,  0.0001200600000000, -0.0055224500000000 ]  - [  -0.0001232300000000,  0.0000711500000000, -0.0055423800000000 ]  - [  -0.0000997200000000,  0.0000575800000000, -0.0054086800000000 ]  - [   0.0000997200000000,  0.0000575800000000, -0.0054086800000000 ]  - [   0.0000000000000000, -0.0001151500000000, -0.0054086800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010396700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065229400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0065951100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069764100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084277400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044710600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043875600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035780800000000 ]  - [  -0.0378567500000000,  0.0218566000000000,  0.0428935800000000 ]  - [   0.0011295900000000,  0.0006521700000000, -0.0054696700000000 ]  - [   0.0000000000000000, -0.0013043400000000, -0.0054696700000000 ]  - [   0.0000000000000000, -0.0437132000000000,  0.0428935800000000 ]  - [   0.0378567500000000,  0.0218566000000000,  0.0428935800000000 ]  - [  -0.0011356500000000, -0.0006556700000000, -0.0054451200000000 ]  - [   0.0000000000000000,  0.0013113400000000, -0.0054451200000000 ]  - [  -0.0011295900000000,  0.0006521700000000, -0.0054696700000000 ]  - [   0.0011356500000000, -0.0006556700000000, -0.0054451200000000 ]  - [  -0.0026387700000000,  0.0015235000000000, -0.0067296500000000 ]  - [   0.0026387700000000,  0.0015235000000000, -0.0067296500000000 ]  - [   0.0000000000000000, -0.0030469900000000, -0.0067296500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2554228700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0110109500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0137892600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057622900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0094046300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084910200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0191849900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084753100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070011300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083403700000000 ]  - [  -0.0015060400000000,  0.0008695100000000,  0.0020068600000000 ]  - [  -0.0006119600000000, -0.0003533200000000,  0.0075669600000000 ]  - [   0.0000000000000000,  0.0007066300000000,  0.0075669600000000 ]  - [   0.0000000000000000, -0.0017390200000000,  0.0020068600000000 ]  - [   0.0015060400000000,  0.0008695100000000,  0.0020068600000000 ]  - [   0.0005282700000000,  0.0003049900000000,  0.0075578600000000 ]  - [   0.0000000000000000, -0.0006099900000000,  0.0075578600000000 ]  - [   0.0006119600000000, -0.0003533200000000,  0.0075669600000000 ]  - [  -0.0005282700000000,  0.0003049900000000,  0.0075578600000000 ]  - [   0.0010745400000000, -0.0006203900000000,  0.0072250300000000 ]  - [  -0.0010745400000000, -0.0006203900000000,  0.0072250300000000 ]  - [   0.0000000000000000,  0.0012407700000000,  0.0072250300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4060049500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0112328200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0112450400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0230395100000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0025088000000000, -0.0014484600000000,  0.0036562400000000 ]  - [  -0.0002163300000000, -0.0001249000000000,  0.0055310300000000 ]  - [   0.0000000000000000,  0.0002498000000000,  0.0055310300000000 ]  - [   0.0000000000000000,  0.0028969100000000,  0.0036562400000000 ]  - [  -0.0025088000000000, -0.0014484600000000,  0.0036562400000000 ]  - [  -0.0001378500000000, -0.0000795900000000,  0.0055447900000000 ]  - [   0.0000000000000000,  0.0001591700000000,  0.0055447900000000 ]  - [   0.0002163300000000, -0.0001249000000000,  0.0055310300000000 ]  - [   0.0001378500000000, -0.0000795900000000,  0.0055447900000000 ]  - [   0.0000909100000000, -0.0000524900000000,  0.0054130500000000 ]  - [  -0.0000909100000000, -0.0000524900000000,  0.0054130500000000 ]  - [   0.0000000000000000,  0.0001049700000000,  0.0054130500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009264400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065372000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065985700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069768500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0085450700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044488000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044226300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036080700000000 ]  - [   0.0385025900000000, -0.0222294800000000, -0.0427908300000000 ]  - [  -0.0011360400000000, -0.0006558900000000,  0.0054272000000000 ]  - [   0.0000000000000000,  0.0013117900000000,  0.0054272000000000 ]  - [   0.0000000000000000,  0.0444589600000000, -0.0427908300000000 ]  - [  -0.0385025900000000, -0.0222294800000000, -0.0427908300000000 ]  - [   0.0011319600000000,  0.0006535400000000,  0.0054984200000000 ]  - [   0.0000000000000000, -0.0013070700000000,  0.0054984200000000 ]  - [   0.0011360400000000, -0.0006558900000000,  0.0054272000000000 ]  - [  -0.0011319600000000,  0.0006535400000000,  0.0054984200000000 ]  - [   0.0026403300000000, -0.0015244000000000,  0.0067787200000000 ]  - [  -0.0026403300000000, -0.0015244000000000,  0.0067787200000000 ]  - [   0.0000000000000000,  0.0030487900000000,  0.0067787200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2409268800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0110236500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0137403300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057690300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0094411600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084999200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0193392300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084270400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0070390300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084072000000000 ]  - [   0.0014506200000000, -0.0008375100000000, -0.0017329400000000 ]  - [   0.0005989000000000,  0.0003457800000000, -0.0075342400000000 ]  - [   0.0000000000000000, -0.0006915500000000, -0.0075342400000000 ]  - [   0.0000000000000000,  0.0016750300000000, -0.0017329400000000 ]  - [  -0.0014506200000000, -0.0008375100000000, -0.0017329400000000 ]  - [  -0.0005407600000000, -0.0003122100000000, -0.0076079300000000 ]  - [   0.0000000000000000,  0.0006244200000000, -0.0076079300000000 ]  - [  -0.0005989000000000,  0.0003457800000000, -0.0075342400000000 ]  - [   0.0005407600000000, -0.0003122100000000, -0.0076079300000000 ]  - [  -0.0010881900000000,  0.0006282700000000, -0.0072718000000000 ]  - [   0.0010881900000000,  0.0006282700000000, -0.0072718000000000 ]  - [   0.0000000000000000, -0.0012565300000000, -0.0072718000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3906804000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0112474900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0112574700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0227986100000000 ]