# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/337690b0-5494-4ca0-9344-75fd9b5e9915/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 SnPbF4 / P4/nmm (129) / materials id 20815](https://mdr.nims.go.jp/datasets/60690b2f-ae1b-4e24-8935-dde7fadfc18b)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P4/nmm"  number: 129  Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.305421590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.305421590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.265674030000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.332824660000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.667175340000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.192417980000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.192417980000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.807582020000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.807582020000000 ]    mass: 18.998403  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.128459710000000 ]    mass: 118.710000  - symbol: Sn # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.871540290000000 ]    mass: 118.710000  - symbol: Pb # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.622761400000000 ]    mass: 207.200000  - symbol: Pb # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.377238600000000 ]    mass: 207.200000  reciprocal_lattice: # without 2pi  - [     0.232265291353268,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.232265291353268,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.097412015721290 ] # c*unit_cell:  lattice:  - [     4.305421590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.305421590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.265674030000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.667175340000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 8  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.128459710000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.871540290000000 ]    mass: 118.710000    reduced_to: 10  - symbol: Pb # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.622761400000000 ]    mass: 207.200000    reduced_to: 11  - symbol: Pb # 12    coordinates: [  0.500000000000000,  0.000000000000000,  0.377238600000000 ]    mass: 207.200000    reduced_to: 12supercell:  lattice:  - [    12.916264770000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.916264770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.265674030000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.666666666666667,  0.500000000000000,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.833333333333333,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.333333333333333,  0.833333333333333,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.666666666666667,  0.833333333333333,  0.332824660000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 10    coordinates: [  0.166666666666667,  0.000000000000000,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 12    coordinates: [  0.833333333333333,  0.000000000000000,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 13    coordinates: [  0.166666666666667,  0.333333333333333,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 14    coordinates: [  0.500000000000000,  0.333333333333333,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 15    coordinates: [  0.833333333333333,  0.333333333333333,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 16    coordinates: [  0.166666666666667,  0.666666666666667,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 17    coordinates: [  0.500000000000000,  0.666666666666667,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 18    coordinates: [  0.833333333333333,  0.666666666666667,  0.667175340000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 19    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 21    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 22    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 24    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 25    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 26    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 27    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 46    coordinates: [  0.166666666666667,  0.166666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 47    coordinates: [  0.500000000000000,  0.166666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 48    coordinates: [  0.833333333333333,  0.166666666666667,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 49    coordinates: [  0.166666666666667,  0.500000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 51    coordinates: [  0.833333333333333,  0.500000000000000,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 52    coordinates: [  0.166666666666667,  0.833333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 53    coordinates: [  0.500000000000000,  0.833333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 54    coordinates: [  0.833333333333333,  0.833333333333333,  0.192417980000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 55    coordinates: [  0.166666666666667,  0.166666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 56    coordinates: [  0.500000000000000,  0.166666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 57    coordinates: [  0.833333333333333,  0.166666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 58    coordinates: [  0.166666666666667,  0.500000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 60    coordinates: [  0.833333333333333,  0.500000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 61    coordinates: [  0.166666666666667,  0.833333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 62    coordinates: [  0.500000000000000,  0.833333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 63    coordinates: [  0.833333333333333,  0.833333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 65    coordinates: [  0.333333333333333,  0.000000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 66    coordinates: [  0.666666666666667,  0.000000000000000,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 67    coordinates: [  0.000000000000000,  0.333333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 68    coordinates: [  0.333333333333333,  0.333333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 69    coordinates: [  0.666666666666667,  0.333333333333333,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 70    coordinates: [  0.000000000000000,  0.666666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 71    coordinates: [  0.333333333333333,  0.666666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: F  # 72    coordinates: [  0.666666666666667,  0.666666666666667,  0.807582020000000 ]    mass: 18.998403    reduced_to: 64  - symbol: Sn # 73    coordinates: [  0.000000000000000,  0.166666666666667,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 74    coordinates: [  0.333333333333333,  0.166666666666667,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 75    coordinates: [  0.666666666666667,  0.166666666666667,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 76    coordinates: [  0.000000000000000,  0.500000000000000,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 77    coordinates: [  0.333333333333333,  0.500000000000000,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 78    coordinates: [  0.666666666666667,  0.500000000000000,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 79    coordinates: [  0.000000000000000,  0.833333333333333,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 80    coordinates: [  0.333333333333333,  0.833333333333333,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 81    coordinates: [  0.666666666666667,  0.833333333333333,  0.128459710000000 ]    mass: 118.710000    reduced_to: 73  - symbol: Sn # 82    coordinates: [  0.166666666666667,  0.000000000000000,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 84    coordinates: [  0.833333333333333,  0.000000000000000,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 85    coordinates: [  0.166666666666667,  0.333333333333333,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 86    coordinates: [  0.500000000000000,  0.333333333333333,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 87    coordinates: [  0.833333333333333,  0.333333333333333,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 88    coordinates: [  0.166666666666667,  0.666666666666667,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 89    coordinates: [  0.500000000000000,  0.666666666666667,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Sn # 90    coordinates: [  0.833333333333333,  0.666666666666667,  0.871540290000000 ]    mass: 118.710000    reduced_to: 82  - symbol: Pb # 91    coordinates: [  0.000000000000000,  0.166666666666667,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 92    coordinates: [  0.333333333333333,  0.166666666666667,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 93    coordinates: [  0.666666666666667,  0.166666666666667,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 94    coordinates: [  0.000000000000000,  0.500000000000000,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 95    coordinates: [  0.333333333333333,  0.500000000000000,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 96    coordinates: [  0.666666666666667,  0.500000000000000,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 97    coordinates: [  0.000000000000000,  0.833333333333333,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 98    coordinates: [  0.333333333333333,  0.833333333333333,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 99    coordinates: [  0.666666666666667,  0.833333333333333,  0.622761400000000 ]    mass: 207.200000    reduced_to: 91  - symbol: Pb # 100    coordinates: [  0.166666666666667,  0.000000000000000,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 101    coordinates: [  0.500000000000000,  0.000000000000000,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 102    coordinates: [  0.833333333333333,  0.000000000000000,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 103    coordinates: [  0.166666666666667,  0.333333333333333,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 104    coordinates: [  0.500000000000000,  0.333333333333333,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 105    coordinates: [  0.833333333333333,  0.333333333333333,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 106    coordinates: [  0.166666666666667,  0.666666666666667,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 107    coordinates: [  0.500000000000000,  0.666666666666667,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100  - symbol: Pb # 108    coordinates: [  0.833333333333333,  0.666666666666667,  0.377238600000000 ]    mass: 207.200000    reduced_to: 100born_effective_charge:- # 1 (F)  - [ -1.208334080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.208334080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.161968180000000 ]- # 2 (F)  - [ -1.208334080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.208334080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.161968180000000 ]- # 3 (F)  - [ -1.797221370000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.797221370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.389811720000000 ]- # 4 (F)  - [ -1.797221370000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.797221370000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.389811720000000 ]- # 5 (F)  - [ -0.934049840000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.922992750000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.231226860000000 ]- # 6 (F)  - [ -2.922992750000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.934049840000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.231226860000000 ]- # 7 (F)  - [ -0.934049840000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.922992750000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.231226860000000 ]- # 8 (F)  - [ -2.922992750000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.934049840000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.231226860000000 ]- # 9 (Sn)  - [  3.404885950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.404885950000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.835224460000000 ]- # 10 (Sn)  - [  3.404885950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.404885950000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.835224460000000 ]- # 11 (Pb)  - [  3.457712080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.457712080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.179009180000000 ]- # 12 (Pb)  - [  3.457712080000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.457712080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.179009180000000 ]dielectric_constant:  - [  4.061219820000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.061219820000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.716616940000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0295086100000000,  0.0000000000000000,  0.0001330400000000 ]  - [   0.0009177300000000,  0.0000000000000000,  0.0000526200000000 ]  - [   0.0009141300000000,  0.0000000000000000,  0.0002051300000000 ]  - [  -0.0005506700000000, -0.0000011200000000,  0.0001264500000000 ]  - [   0.0004113200000000,  0.0003380700000000, -0.0000511600000000 ]  - [   0.0004096700000000, -0.0003348100000000,  0.0003077200000000 ]  - [  -0.0005506700000000,  0.0000011200000000,  0.0001264500000000 ]  - [   0.0004113200000000, -0.0003380700000000, -0.0000511600000000 ]  - [   0.0004096700000000,  0.0003348100000000,  0.0003077200000000 ]  - [  -0.0001805700000000, -0.0001607400000000,  0.0003864000000000 ]  - [   0.0003731100000000, -0.0000004600000000, -0.0001282000000000 ]  - [  -0.0001776200000000,  0.0001595500000000, -0.0006376000000000 ]  - [  -0.0001805700000000,  0.0001607400000000,  0.0003864000000000 ]  - [   0.0003731100000000,  0.0000004600000000, -0.0001282000000000 ]  - [  -0.0001776200000000, -0.0001595500000000, -0.0006376000000000 ]  - [  -0.0000797100000000,  0.0000000000000000,  0.0000392000000000 ]  - [   0.0001777100000000,  0.0000000000000000, -0.0001297900000000 ]  - [  -0.0000784100000000,  0.0000000000000000, -0.0002952600000000 ]  - [   0.0051198700000000,  0.0000000000000000,  0.0056886200000000 ]  - [   0.0008337900000000,  0.0000000000000000, -0.0000005400000000 ]  - [   0.0050293200000000,  0.0000000000000000, -0.0055771500000000 ]  - [  -0.0003012000000000,  0.0012480000000000,  0.0008939500000000 ]  - [   0.0003400800000000,  0.0000008300000000,  0.0000007000000000 ]  - [  -0.0002972000000000, -0.0012366600000000, -0.0008861600000000 ]  - [  -0.0003012000000000, -0.0012480000000000,  0.0008939500000000 ]  - [   0.0003400800000000, -0.0000008300000000,  0.0000007000000000 ]  - [  -0.0002972000000000,  0.0012366600000000, -0.0008861600000000 ]  - [  -0.0021687400000000,  0.0000150600000000, -0.0000118800000000 ]  - [   0.0012945000000000, -0.0000672300000000,  0.0005219700000000 ]  - [   0.0012891700000000,  0.0000674300000000, -0.0005166800000000 ]  - [  -0.0021687400000000, -0.0000150600000000, -0.0000118800000000 ]  - [   0.0012945000000000,  0.0000672300000000,  0.0005219700000000 ]  - [   0.0012891700000000, -0.0000674300000000, -0.0005166800000000 ]  - [  -0.0003756300000000,  0.0000000000000000,  0.0000009000000000 ]  - [   0.0001786000000000,  0.0000000000000000, -0.0000613500000000 ]  - [   0.0001797800000000,  0.0000000000000000,  0.0000613100000000 ]  - [  -0.0026798800000000,  0.0000451600000000, -0.0002112600000000 ]  - [   0.0004904100000000, -0.0003903000000000, -0.0004768900000000 ]  - [   0.0004892400000000,  0.0003871500000000,  0.0000057000000000 ]  - [  -0.0026798800000000, -0.0000451600000000, -0.0002112600000000 ]  - [   0.0004904100000000,  0.0003903000000000, -0.0004768900000000 ]  - [   0.0004892400000000, -0.0003871500000000,  0.0000057000000000 ]  - [  -0.0002107900000000,  0.0000000000000000, -0.0002379700000000 ]  - [   0.0000850000000000,  0.0000000000000000, -0.0002107500000000 ]  - [   0.0000857100000000,  0.0000000000000000, -0.0002582200000000 ]  - [   0.0124689900000000,  0.0000000000000000, -0.0112235700000000 ]  - [   0.0023118700000000,  0.0000000000000000, -0.0002320200000000 ]  - [   0.0122065800000000,  0.0000000000000000,  0.0105146300000000 ]  - [  -0.0002832100000000,  0.0003881100000000, -0.0007453900000000 ]  - [   0.0004849600000000,  0.0000004000000000, -0.0002350100000000 ]  - [  -0.0002766000000000, -0.0003854200000000,  0.0002724700000000 ]  - [  -0.0002832100000000, -0.0003881100000000, -0.0007453900000000 ]  - [   0.0004849600000000, -0.0000004000000000, -0.0002350100000000 ]  - [  -0.0002766000000000,  0.0003854200000000,  0.0002724700000000 ]  - [  -0.0002492400000000,  0.0000000000000000,  0.0003087500000000 ]  - [   0.0005533400000000,  0.0000000000000000,  0.0002348600000000 ]  - [  -0.0002432000000000,  0.0000000000000000,  0.0001648300000000 ]  - [  -0.0000772800000000,  0.0000896300000000,  0.0002446800000000 ]  - [   0.0001656000000000,  0.0000006600000000,  0.0002341300000000 ]  - [  -0.0000764700000000, -0.0000934600000000,  0.0002264400000000 ]  - [  -0.0000772800000000, -0.0000896300000000,  0.0002446800000000 ]  - [   0.0001656000000000, -0.0000006600000000,  0.0002341300000000 ]  - [  -0.0000764700000000,  0.0000934600000000,  0.0002264400000000 ]  - [  -0.0004724200000000,  0.0000023900000000,  0.0002349600000000 ]  - [   0.0002191600000000, -0.0001341500000000,  0.0004393400000000 ]  - [   0.0002282900000000,  0.0001327900000000,  0.0000321900000000 ]  - [  -0.0004724200000000, -0.0000023900000000,  0.0002349600000000 ]  - [   0.0002191600000000,  0.0001341500000000,  0.0004393400000000 ]  - [   0.0002282900000000, -0.0001327900000000,  0.0000321900000000 ]  - [  -0.0002680100000000,  0.0000000000000000,  0.0002337100000000 ]  - [   0.0001353500000000,  0.0000000000000000,  0.0003558100000000 ]  - [   0.0001390600000000,  0.0000000000000000,  0.0001137300000000 ]  - [   0.0111192300000000,  0.0000000000000000,  0.0006625300000000 ]  - [  -0.0039572600000000,  0.0000000000000000,  0.0008759200000000 ]  - [  -0.0039424600000000,  0.0000000000000000,  0.0002581000000000 ]  - [   0.0008646600000000,  0.0000134100000000,  0.0005692900000000 ]  - [  -0.0004567800000000, -0.0004374300000000,  0.0009283400000000 ]  - [  -0.0004602500000000,  0.0004332600000000,  0.0002071600000000 ]  - [   0.0008646600000000, -0.0000134100000000,  0.0005692900000000 ]  - [  -0.0004567800000000,  0.0004374300000000,  0.0009283400000000 ]  - [  -0.0004602500000000, -0.0004332600000000,  0.0002071600000000 ]  - [   0.0003193200000000,  0.0001137100000000, -0.0007443400000000 ]  - [  -0.0006582900000000,  0.0000023000000000, -0.0005661200000000 ]  - [   0.0003068200000000, -0.0001201300000000, -0.0003980800000000 ]  - [   0.0003193200000000, -0.0001137100000000, -0.0007443400000000 ]  - [  -0.0006582900000000, -0.0000023000000000, -0.0005661200000000 ]  - [   0.0003068200000000,  0.0001201300000000, -0.0003980800000000 ]  - [   0.0001894500000000,  0.0000000000000000, -0.0006295700000000 ]  - [  -0.0003676700000000,  0.0000000000000000, -0.0005655100000000 ]  - [   0.0001849100000000,  0.0000000000000000, -0.0005038600000000 ]  - [   0.0039969400000000,  0.0000000000000000,  0.0000823800000000 ]  - [  -0.0018554200000000,  0.0000000000000000, -0.0009908400000000 ]  - [  -0.0018516700000000,  0.0000000000000000,  0.0011392000000000 ]  - [   0.0011302900000000,  0.0000035200000000,  0.0000776600000000 ]  - [  -0.0005610700000000, -0.0003671200000000, -0.0002970300000000 ]  - [  -0.0005627100000000,  0.0003645500000000,  0.0004504200000000 ]  - [   0.0011302900000000, -0.0000035200000000,  0.0000776600000000 ]  - [  -0.0005610700000000,  0.0003671200000000, -0.0002970300000000 ]  - [  -0.0005627100000000, -0.0003645500000000,  0.0004504200000000 ]  - [  -0.0018864700000000,  0.0054382500000000, -0.0019436400000000 ]  - [  -0.0016846800000000,  0.0000020900000000, -0.0000795000000000 ]  - [  -0.0019213700000000, -0.0054290800000000,  0.0017813000000000 ]  - [  -0.0018864700000000, -0.0054382500000000, -0.0019436400000000 ]  - [  -0.0016846800000000, -0.0000020900000000, -0.0000795000000000 ]  - [  -0.0019213700000000,  0.0054290800000000,  0.0017813000000000 ]  - [   0.0003526900000000,  0.0000000000000000,  0.0000746000000000 ]  - [  -0.0007056100000000,  0.0000000000000000, -0.0000785500000000 ]  - [   0.0003473700000000,  0.0000000000000000, -0.0002296000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0895119600000000 ]  - [   0.0000749000000000,  0.0000000000000000, -0.0010046300000000 ]  - [  -0.0000749000000000,  0.0000000000000000, -0.0010046300000000 ]  - [   0.0000000000000000,  0.0000749000000000, -0.0010046300000000 ]  - [   0.0001781000000000,  0.0001781000000000, -0.0002145600000000 ]  - [  -0.0001781000000000,  0.0001781000000000, -0.0002145600000000 ]  - [   0.0000000000000000, -0.0000749000000000, -0.0010046300000000 ]  - [   0.0001781000000000, -0.0001781000000000, -0.0002145600000000 ]  - [  -0.0001781000000000, -0.0001781000000000, -0.0002145600000000 ]  - [   0.0005155600000000, -0.0005155600000000,  0.0016310500000000 ]  - [   0.0000000000000000, -0.0001680700000000,  0.0003068300000000 ]  - [  -0.0005155600000000, -0.0005155600000000,  0.0016310500000000 ]  - [   0.0005155600000000,  0.0005155600000000,  0.0016310500000000 ]  - [   0.0000000000000000,  0.0001680700000000,  0.0003068300000000 ]  - [  -0.0005155600000000,  0.0005155600000000,  0.0016310500000000 ]  - [   0.0001680700000000,  0.0000000000000000,  0.0003068300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000044600000000 ]  - [  -0.0001680700000000,  0.0000000000000000,  0.0003068300000000 ]  - [   0.0080242400000000,  0.0000000000000000,  0.0039984600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004161600000000 ]  - [  -0.0080242400000000,  0.0000000000000000,  0.0039984600000000 ]  - [   0.0001657900000000,  0.0005371700000000,  0.0002346300000000 ]  - [   0.0000000000000000,  0.0000222200000000, -0.0000176000000000 ]  - [  -0.0001657900000000,  0.0005371700000000,  0.0002346300000000 ]  - [   0.0001657900000000, -0.0005371700000000,  0.0002346300000000 ]  - [   0.0000000000000000, -0.0000222200000000, -0.0000176000000000 ]  - [  -0.0001657900000000, -0.0005371700000000,  0.0002346300000000 ]  - [   0.0000000000000000, -0.0080242400000000,  0.0039984600000000 ]  - [   0.0005371700000000, -0.0001657900000000,  0.0002346300000000 ]  - [  -0.0005371700000000, -0.0001657900000000,  0.0002346300000000 ]  - [   0.0000000000000000,  0.0080242400000000,  0.0039984600000000 ]  - [   0.0005371700000000,  0.0001657900000000,  0.0002346300000000 ]  - [  -0.0005371700000000,  0.0001657900000000,  0.0002346300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004161600000000 ]  - [   0.0000222200000000,  0.0000000000000000, -0.0000176000000000 ]  - [  -0.0000222200000000,  0.0000000000000000, -0.0000176000000000 ]  - [   0.0000000000000000,  0.0096354400000000,  0.0017532300000000 ]  - [   0.0002458100000000,  0.0003650200000000, -0.0007898300000000 ]  - [  -0.0002458100000000,  0.0003650200000000, -0.0007898300000000 ]  - [   0.0000000000000000, -0.0096354400000000,  0.0017532300000000 ]  - [   0.0002458100000000, -0.0003650200000000, -0.0007898300000000 ]  - [  -0.0002458100000000, -0.0003650200000000, -0.0007898300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010814000000000 ]  - [   0.0000112200000000,  0.0000000000000000, -0.0004129100000000 ]  - [  -0.0000112200000000,  0.0000000000000000, -0.0004129100000000 ]  - [  -0.0096354400000000,  0.0000000000000000,  0.0017532300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010814000000000 ]  - [   0.0096354400000000,  0.0000000000000000,  0.0017532300000000 ]  - [  -0.0003650200000000,  0.0002458100000000, -0.0007898300000000 ]  - [   0.0000000000000000,  0.0000112200000000, -0.0004129100000000 ]  - [   0.0003650200000000,  0.0002458100000000, -0.0007898300000000 ]  - [  -0.0003650200000000, -0.0002458100000000, -0.0007898300000000 ]  - [   0.0000000000000000, -0.0000112200000000, -0.0004129100000000 ]  - [   0.0003650200000000, -0.0002458100000000, -0.0007898300000000 ]  - [   0.0004913400000000,  0.0000000000000000,  0.0019717400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008264700000000 ]  - [  -0.0004913400000000,  0.0000000000000000,  0.0019717400000000 ]  - [   0.0001602900000000, -0.0007005000000000,  0.0008723000000000 ]  - [   0.0000000000000000, -0.0001157000000000,  0.0004058300000000 ]  - [  -0.0001602900000000, -0.0007005000000000,  0.0008723000000000 ]  - [   0.0001602900000000,  0.0007005000000000,  0.0008723000000000 ]  - [   0.0000000000000000,  0.0001157000000000,  0.0004058300000000 ]  - [  -0.0001602900000000,  0.0007005000000000,  0.0008723000000000 ]  - [   0.0000000000000000, -0.0004913400000000,  0.0019717400000000 ]  - [  -0.0007005000000000, -0.0001602900000000,  0.0008723000000000 ]  - [   0.0007005000000000, -0.0001602900000000,  0.0008723000000000 ]  - [   0.0000000000000000,  0.0004913400000000,  0.0019717400000000 ]  - [  -0.0007005000000000,  0.0001602900000000,  0.0008723000000000 ]  - [   0.0007005000000000,  0.0001602900000000,  0.0008723000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008264700000000 ]  - [  -0.0001157000000000,  0.0000000000000000,  0.0004058300000000 ]  - [   0.0001157000000000,  0.0000000000000000,  0.0004058300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0698672700000000 ]  - [   0.0024865800000000,  0.0000000000000000,  0.0015570600000000 ]  - [  -0.0024865800000000,  0.0000000000000000,  0.0015570600000000 ]  - [   0.0000000000000000,  0.0024865800000000,  0.0015570600000000 ]  - [   0.0000828900000000,  0.0000828900000000,  0.0010500900000000 ]  - [  -0.0000828900000000,  0.0000828900000000,  0.0010500900000000 ]  - [   0.0000000000000000, -0.0024865800000000,  0.0015570600000000 ]  - [   0.0000828900000000, -0.0000828900000000,  0.0010500900000000 ]  - [  -0.0000828900000000, -0.0000828900000000,  0.0010500900000000 ]  - [   0.0005630100000000, -0.0005630100000000, -0.0034373200000000 ]  - [   0.0000000000000000,  0.0000311100000000, -0.0011550100000000 ]  - [  -0.0005630100000000, -0.0005630100000000, -0.0034373200000000 ]  - [   0.0005630100000000,  0.0005630100000000, -0.0034373200000000 ]  - [   0.0000000000000000, -0.0000311100000000, -0.0011550100000000 ]  - [  -0.0005630100000000,  0.0005630100000000, -0.0034373200000000 ]  - [  -0.0000311100000000,  0.0000000000000000, -0.0011550100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007360100000000 ]  - [   0.0000311100000000,  0.0000000000000000, -0.0011550100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0142813400000000 ]  - [  -0.0020090200000000,  0.0000000000000000, -0.0012310800000000 ]  - [   0.0020090200000000,  0.0000000000000000, -0.0012310800000000 ]  - [   0.0000000000000000, -0.0020090200000000, -0.0012310800000000 ]  - [  -0.0002421100000000, -0.0002421100000000, -0.0003601000000000 ]  - [   0.0002421100000000, -0.0002421100000000, -0.0003601000000000 ]  - [   0.0000000000000000,  0.0020090200000000, -0.0012310800000000 ]  - [  -0.0002421100000000,  0.0002421100000000, -0.0003601000000000 ]  - [   0.0002421100000000,  0.0002421100000000, -0.0003601000000000 ]  - [  -0.0039664000000000,  0.0039664000000000,  0.0030386200000000 ]  - [   0.0000000000000000, -0.0000195100000000,  0.0004746400000000 ]  - [   0.0039664000000000,  0.0039664000000000,  0.0030386200000000 ]  - [  -0.0039664000000000, -0.0039664000000000,  0.0030386200000000 ]  - [   0.0000000000000000,  0.0000195100000000,  0.0004746400000000 ]  - [   0.0039664000000000, -0.0039664000000000,  0.0030386200000000 ]  - [   0.0000195100000000,  0.0000000000000000,  0.0004746400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000455700000000 ]  - [  -0.0000195100000000,  0.0000000000000000,  0.0004746400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0944917200000000 ]  - [  -0.0000770000000000,  0.0000000000000000,  0.0012665500000000 ]  - [   0.0000770000000000,  0.0000000000000000,  0.0012665500000000 ]  - [   0.0000000000000000, -0.0000770000000000,  0.0012665500000000 ]  - [  -0.0001808500000000, -0.0001808500000000,  0.0004793900000000 ]  - [   0.0001808500000000, -0.0001808500000000,  0.0004793900000000 ]  - [   0.0000000000000000,  0.0000770000000000,  0.0012665500000000 ]  - [  -0.0001808500000000,  0.0001808500000000,  0.0004793900000000 ]  - [   0.0001808500000000,  0.0001808500000000,  0.0004793900000000 ]  - [  -0.0005089200000000,  0.0005089200000000, -0.0018989600000000 ]  - [   0.0000000000000000,  0.0001661600000000, -0.0005717600000000 ]  - [   0.0005089200000000,  0.0005089200000000, -0.0018989600000000 ]  - [  -0.0005089200000000, -0.0005089200000000, -0.0018989600000000 ]  - [   0.0000000000000000, -0.0001661600000000, -0.0005717600000000 ]  - [   0.0005089200000000, -0.0005089200000000, -0.0018989600000000 ]  - [  -0.0001661600000000,  0.0000000000000000, -0.0005717600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002686100000000 ]  - [   0.0001661600000000,  0.0000000000000000, -0.0005717600000000 ]  - [  -0.0079055900000000,  0.0000000000000000, -0.0039835700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004093400000000 ]  - [   0.0079055900000000,  0.0000000000000000, -0.0039835700000000 ]  - [  -0.0001614200000000, -0.0005477000000000, -0.0002448600000000 ]  - [   0.0000000000000000, -0.0000228600000000,  0.0000157500000000 ]  - [   0.0001614200000000, -0.0005477000000000, -0.0002448600000000 ]  - [  -0.0001614200000000,  0.0005477000000000, -0.0002448600000000 ]  - [   0.0000000000000000,  0.0000228600000000,  0.0000157500000000 ]  - [   0.0001614200000000,  0.0005477000000000, -0.0002448600000000 ]  - [   0.0000000000000000,  0.0079055900000000, -0.0039835700000000 ]  - [  -0.0005477000000000,  0.0001614200000000, -0.0002448600000000 ]  - [   0.0005477000000000,  0.0001614200000000, -0.0002448600000000 ]  - [   0.0000000000000000, -0.0079055900000000, -0.0039835700000000 ]  - [  -0.0005477000000000, -0.0001614200000000, -0.0002448600000000 ]  - [   0.0005477000000000, -0.0001614200000000, -0.0002448600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004093400000000 ]  - [  -0.0000228600000000,  0.0000000000000000,  0.0000157500000000 ]  - [   0.0000228600000000,  0.0000000000000000,  0.0000157500000000 ]  - [   0.0000000000000000, -0.0096970400000000, -0.0022096100000000 ]  - [  -0.0002483200000000, -0.0003639800000000,  0.0003246600000000 ]  - [   0.0002483200000000, -0.0003639800000000,  0.0003246600000000 ]  - [   0.0000000000000000,  0.0096970400000000, -0.0022096100000000 ]  - [  -0.0002483200000000,  0.0003639800000000,  0.0003246600000000 ]  - [   0.0002483200000000,  0.0003639800000000,  0.0003246600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006109200000000 ]  - [  -0.0000115300000000,  0.0000000000000000, -0.0000548800000000 ]  - [   0.0000115300000000,  0.0000000000000000, -0.0000548800000000 ]  - [   0.0096970400000000,  0.0000000000000000, -0.0022096100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006109200000000 ]  - [  -0.0096970400000000,  0.0000000000000000, -0.0022096100000000 ]  - [   0.0003639800000000, -0.0002483200000000,  0.0003246600000000 ]  - [   0.0000000000000000, -0.0000115300000000, -0.0000548800000000 ]  - [  -0.0003639800000000, -0.0002483200000000,  0.0003246600000000 ]  - [   0.0003639800000000,  0.0002483200000000,  0.0003246600000000 ]  - [   0.0000000000000000,  0.0000115300000000, -0.0000548800000000 ]  - [  -0.0003639800000000,  0.0002483200000000,  0.0003246600000000 ]  - [  -0.0004656900000000,  0.0000000000000000, -0.0014947900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003541600000000 ]  - [   0.0004656900000000,  0.0000000000000000, -0.0014947900000000 ]  - [  -0.0001593000000000,  0.0007095000000000, -0.0004055500000000 ]  - [   0.0000000000000000,  0.0001167700000000,  0.0000634800000000 ]  - [   0.0001593000000000,  0.0007095000000000, -0.0004055500000000 ]  - [  -0.0001593000000000, -0.0007095000000000, -0.0004055500000000 ]  - [   0.0000000000000000, -0.0001167700000000,  0.0000634800000000 ]  - [   0.0001593000000000, -0.0007095000000000, -0.0004055500000000 ]  - [   0.0000000000000000,  0.0004656900000000, -0.0014947900000000 ]  - [   0.0007095000000000,  0.0001593000000000, -0.0004055500000000 ]  - [  -0.0007095000000000,  0.0001593000000000, -0.0004055500000000 ]  - [   0.0000000000000000, -0.0004656900000000, -0.0014947900000000 ]  - [   0.0007095000000000, -0.0001593000000000, -0.0004055500000000 ]  - [  -0.0007095000000000, -0.0001593000000000, -0.0004055500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003541600000000 ]  - [   0.0001167700000000,  0.0000000000000000,  0.0000634800000000 ]  - [  -0.0001167700000000,  0.0000000000000000,  0.0000634800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0736678100000000 ]  - [  -0.0024748600000000,  0.0000000000000000, -0.0004331300000000 ]  - [   0.0024748600000000,  0.0000000000000000, -0.0004331300000000 ]  - [   0.0000000000000000, -0.0024748600000000, -0.0004331300000000 ]  - [  -0.0000810500000000, -0.0000810500000000,  0.0000729300000000 ]  - [   0.0000810500000000, -0.0000810500000000,  0.0000729300000000 ]  - [   0.0000000000000000,  0.0024748600000000, -0.0004331300000000 ]  - [  -0.0000810500000000,  0.0000810500000000,  0.0000729300000000 ]  - [   0.0000810500000000,  0.0000810500000000,  0.0000729300000000 ]  - [  -0.0005885300000000,  0.0005885300000000,  0.0023087600000000 ]  - [   0.0000000000000000, -0.0000289800000000,  0.0000226200000000 ]  - [   0.0005885300000000,  0.0005885300000000,  0.0023087600000000 ]  - [  -0.0005885300000000, -0.0005885300000000,  0.0023087600000000 ]  - [   0.0000000000000000,  0.0000289800000000,  0.0000226200000000 ]  - [   0.0005885300000000, -0.0005885300000000,  0.0023087600000000 ]  - [   0.0000289800000000,  0.0000000000000000,  0.0000226200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003958000000000 ]  - [  -0.0000289800000000,  0.0000000000000000,  0.0000226200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0143802900000000 ]  - [   0.0019921600000000,  0.0000000000000000,  0.0014021400000000 ]  - [  -0.0019921600000000,  0.0000000000000000,  0.0014021400000000 ]  - [   0.0000000000000000,  0.0019921600000000,  0.0014021400000000 ]  - [   0.0002407800000000,  0.0002407800000000,  0.0005284700000000 ]  - [  -0.0002407800000000,  0.0002407800000000,  0.0005284700000000 ]  - [   0.0000000000000000, -0.0019921600000000,  0.0014021400000000 ]  - [   0.0002407800000000, -0.0002407800000000,  0.0005284700000000 ]  - [  -0.0002407800000000, -0.0002407800000000,  0.0005284700000000 ]  - [   0.0040157600000000, -0.0040157600000000, -0.0031443900000000 ]  - [   0.0000000000000000,  0.0000203700000000, -0.0006342600000000 ]  - [  -0.0040157600000000, -0.0040157600000000, -0.0031443900000000 ]  - [   0.0040157600000000,  0.0040157600000000, -0.0031443900000000 ]  - [   0.0000000000000000, -0.0000203700000000, -0.0006342600000000 ]  - [  -0.0040157600000000,  0.0040157600000000, -0.0031443900000000 ]  - [  -0.0000203700000000,  0.0000000000000000, -0.0006342600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002049700000000 ]  - [   0.0000203700000000,  0.0000000000000000, -0.0006342600000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0050362900000000,  0.0000000000000000,  0.0080336100000000 ]  - [   0.0051139000000000,  0.0000000000000000, -0.0078988100000000 ]  - [   0.0008339300000000,  0.0000000000000000,  0.0001300700000000 ]  - [  -0.0002919000000000, -0.0000701200000000,  0.0002959400000000 ]  - [  -0.0003056200000000,  0.0000639400000000, -0.0000305500000000 ]  - [   0.0003405400000000,  0.0000004100000000,  0.0001342300000000 ]  - [  -0.0002919000000000,  0.0000701200000000,  0.0002959400000000 ]  - [  -0.0003056200000000, -0.0000639400000000, -0.0000305500000000 ]  - [   0.0003405400000000, -0.0000004100000000,  0.0001342300000000 ]  - [  -0.0021701600000000,  0.0000134600000000, -0.0001588900000000 ]  - [   0.0012957800000000, -0.0012492600000000,  0.0004133900000000 ]  - [   0.0012866100000000,  0.0012338200000000, -0.0006735900000000 ]  - [  -0.0021701600000000, -0.0000134600000000, -0.0001588900000000 ]  - [   0.0012957800000000,  0.0012492600000000,  0.0004133900000000 ]  - [   0.0012866100000000, -0.0012338200000000, -0.0006735900000000 ]  - [  -0.0003758500000000,  0.0000000000000000, -0.0001343800000000 ]  - [   0.0001764300000000,  0.0000000000000000, -0.0001114200000000 ]  - [   0.0001794800000000,  0.0000000000000000, -0.0001558400000000 ]  - [  -0.0394981700000000,  0.0000000000000000, -0.0003038400000000 ]  - [   0.0037116300000000,  0.0000000000000000, -0.0022867100000000 ]  - [   0.0037025100000000,  0.0000000000000000,  0.0022630000000000 ]  - [  -0.0004480900000000, -0.0000146300000000, -0.0000150400000000 ]  - [   0.0003446700000000,  0.0004346200000000,  0.0001218600000000 ]  - [   0.0003485900000000, -0.0004305900000000, -0.0001224800000000 ]  - [  -0.0004480900000000,  0.0000146300000000, -0.0000150400000000 ]  - [   0.0003446700000000, -0.0004346200000000,  0.0001218600000000 ]  - [   0.0003485900000000,  0.0004305900000000, -0.0001224800000000 ]  - [   0.0008639100000000,  0.0035092800000000,  0.0010651900000000 ]  - [   0.0008693100000000, -0.0035525100000000, -0.0010751800000000 ]  - [   0.0010488300000000, -0.0000025600000000, -0.0000019400000000 ]  - [   0.0008639100000000, -0.0035092800000000,  0.0010651900000000 ]  - [   0.0008693100000000,  0.0035525100000000, -0.0010751800000000 ]  - [   0.0010488300000000,  0.0000025600000000, -0.0000019400000000 ]  - [  -0.0001219000000000,  0.0000000000000000,  0.0003392600000000 ]  - [  -0.0001272600000000,  0.0000000000000000, -0.0003429200000000 ]  - [   0.0002723500000000,  0.0000000000000000, -0.0000016300000000 ]  - [  -0.0004626600000000,  0.0007235800000000, -0.0002143700000000 ]  - [  -0.0004793800000000, -0.0007317300000000, -0.0002427700000000 ]  - [   0.0005275800000000, -0.0000006200000000, -0.0002330900000000 ]  - [  -0.0004626600000000, -0.0007235800000000, -0.0002143700000000 ]  - [  -0.0004793800000000,  0.0007317300000000, -0.0002427700000000 ]  - [   0.0005275800000000,  0.0000006200000000, -0.0002330900000000 ]  - [  -0.0000640100000000,  0.0000000000000000, -0.0003216500000000 ]  - [  -0.0000670000000000,  0.0000000000000000, -0.0001424400000000 ]  - [   0.0001324300000000,  0.0000000000000000, -0.0002312400000000 ]  - [  -0.0018538300000000,  0.0000000000000000, -0.0002160500000000 ]  - [   0.0011344300000000,  0.0000000000000000, -0.0008901800000000 ]  - [   0.0011365300000000,  0.0000000000000000,  0.0004207000000000 ]  - [  -0.0004016400000000, -0.0000134500000000, -0.0002186900000000 ]  - [   0.0002334000000000,  0.0001962600000000, -0.0004493200000000 ]  - [   0.0002428800000000, -0.0001950300000000, -0.0000172100000000 ]  - [  -0.0004016400000000,  0.0000134500000000, -0.0002186900000000 ]  - [   0.0002334000000000, -0.0001962600000000, -0.0004493200000000 ]  - [   0.0002428800000000,  0.0001950300000000, -0.0000172100000000 ]  - [  -0.0023987800000000,  0.0000000000000000,  0.0002315800000000 ]  - [   0.0036491900000000,  0.0000000000000000,  0.0032101700000000 ]  - [   0.0036084100000000,  0.0000000000000000, -0.0027041700000000 ]  - [  -0.0003485800000000,  0.0000006900000000,  0.0002315700000000 ]  - [   0.0001707000000000,  0.0005930100000000,  0.0001656500000000 ]  - [   0.0001724600000000, -0.0005860800000000,  0.0002991500000000 ]  - [  -0.0003485800000000, -0.0000006900000000,  0.0002315700000000 ]  - [   0.0001707000000000, -0.0005930100000000,  0.0001656500000000 ]  - [   0.0001724600000000,  0.0005860800000000,  0.0002991500000000 ]  - [  -0.0009789300000000,  0.0018792600000000, -0.0013703500000000 ]  - [  -0.0009894000000000, -0.0019024100000000,  0.0018475900000000 ]  - [   0.0014885700000000, -0.0000014700000000,  0.0002347300000000 ]  - [  -0.0009789300000000, -0.0018792600000000, -0.0013703500000000 ]  - [  -0.0009894000000000,  0.0019024100000000,  0.0018475900000000 ]  - [   0.0014885700000000,  0.0000014700000000,  0.0002347300000000 ]  - [  -0.0002106300000000,  0.0000000000000000, -0.0000540600000000 ]  - [  -0.0002153400000000,  0.0000000000000000,  0.0005202800000000 ]  - [   0.0004263700000000,  0.0000000000000000,  0.0002335500000000 ]  - [   0.0009619700000000,  0.0000000000000000, -0.0019780600000000 ]  - [   0.0009904500000000,  0.0000000000000000,  0.0031020800000000 ]  - [  -0.0015773200000000,  0.0000000000000000,  0.0005645500000000 ]  - [   0.0003441900000000,  0.0003113600000000,  0.0005809400000000 ]  - [   0.0003647800000000, -0.0003084900000000,  0.0005370900000000 ]  - [  -0.0006906200000000, -0.0000021000000000,  0.0005613400000000 ]  - [   0.0003441900000000, -0.0003113600000000,  0.0005809400000000 ]  - [   0.0003647800000000,  0.0003084900000000,  0.0005370900000000 ]  - [  -0.0006906200000000,  0.0000021000000000,  0.0005613400000000 ]  - [   0.0029494500000000,  0.0000047400000000, -0.0005571400000000 ]  - [  -0.0015750700000000,  0.0019082000000000, -0.0018301700000000 ]  - [  -0.0015711300000000, -0.0018818400000000,  0.0006819000000000 ]  - [   0.0029494500000000, -0.0000047400000000, -0.0005571400000000 ]  - [  -0.0015750700000000, -0.0019082000000000, -0.0018301700000000 ]  - [  -0.0015711300000000,  0.0018818400000000,  0.0006819000000000 ]  - [   0.0006716300000000,  0.0000000000000000, -0.0005652800000000 ]  - [  -0.0003314500000000,  0.0000000000000000, -0.0006975200000000 ]  - [  -0.0003355100000000,  0.0000000000000000, -0.0004292000000000 ]  - [   0.0052072800000000,  0.0000000000000000, -0.0036720800000000 ]  - [   0.0058342000000000,  0.0000000000000000,  0.0042641000000000 ]  - [  -0.0046253400000000,  0.0000000000000000,  0.0000850200000000 ]  - [   0.0006789700000000,  0.0015837200000000,  0.0002996600000000 ]  - [   0.0006995300000000, -0.0015911300000000, -0.0001299900000000 ]  - [  -0.0013561300000000, -0.0000052000000000,  0.0000802800000000 ]  - [   0.0006789700000000, -0.0015837200000000,  0.0002996600000000 ]  - [   0.0006995300000000,  0.0015911300000000, -0.0001299900000000 ]  - [  -0.0013561300000000,  0.0000052000000000,  0.0000802800000000 ]  - [   0.0062854400000000, -0.0000380900000000, -0.0000758500000000 ]  - [  -0.0019860300000000,  0.0015169100000000,  0.0009827200000000 ]  - [  -0.0019946000000000, -0.0015056200000000, -0.0011304800000000 ]  - [   0.0062854400000000,  0.0000380900000000, -0.0000758500000000 ]  - [  -0.0019860300000000, -0.0015169100000000,  0.0009827200000000 ]  - [  -0.0019946000000000,  0.0015056200000000, -0.0011304800000000 ]  - [   0.0007124600000000,  0.0000000000000000, -0.0000785800000000 ]  - [  -0.0003469000000000,  0.0000000000000000,  0.0000929500000000 ]  - [  -0.0003551000000000,  0.0000000000000000, -0.0002471800000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0055918400000000,  0.0000000000000000,  0.0041120200000000 ]  - [  -0.0055918400000000,  0.0000000000000000,  0.0041120200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002826200000000 ]  - [   0.0008892500000000, -0.0005192500000000,  0.0003707000000000 ]  - [  -0.0008892500000000, -0.0005192500000000,  0.0003707000000000 ]  - [   0.0000000000000000,  0.0000611600000000,  0.0001164700000000 ]  - [   0.0008892500000000,  0.0005192500000000,  0.0003707000000000 ]  - [  -0.0008892500000000,  0.0005192500000000,  0.0003707000000000 ]  - [   0.0000000000000000, -0.0000611600000000,  0.0001164700000000 ]  - [   0.0000000000000000, -0.0056734800000000,  0.0038723400000000 ]  - [   0.0005197200000000, -0.0008907000000000,  0.0001082400000000 ]  - [  -0.0005197200000000, -0.0008907000000000,  0.0001082400000000 ]  - [   0.0000000000000000,  0.0056734800000000,  0.0038723400000000 ]  - [   0.0005197200000000,  0.0008907000000000,  0.0001082400000000 ]  - [  -0.0005197200000000,  0.0008907000000000,  0.0001082400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005435200000000 ]  - [  -0.0000615400000000,  0.0000000000000000, -0.0001471000000000 ]  - [   0.0000615400000000,  0.0000000000000000, -0.0001471000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0395253600000000 ]  - [   0.0022830300000000,  0.0000000000000000, -0.0026400000000000 ]  - [  -0.0022830300000000,  0.0000000000000000, -0.0026400000000000 ]  - [   0.0000000000000000, -0.0022666300000000, -0.0026280800000000 ]  - [  -0.0001224800000000,  0.0001221600000000, -0.0001599300000000 ]  - [   0.0001224800000000,  0.0001221600000000, -0.0001599300000000 ]  - [   0.0000000000000000,  0.0022666300000000, -0.0026280800000000 ]  - [  -0.0001224800000000, -0.0001221600000000, -0.0001599300000000 ]  - [   0.0001224800000000, -0.0001221600000000, -0.0001599300000000 ]  - [   0.0010767000000000, -0.0010635500000000, -0.0017213600000000 ]  - [  -0.0010767000000000, -0.0010635500000000, -0.0017213600000000 ]  - [   0.0000000000000000, -0.0003417000000000, -0.0003488600000000 ]  - [   0.0010767000000000,  0.0010635500000000, -0.0017213600000000 ]  - [  -0.0010767000000000,  0.0010635500000000, -0.0017213600000000 ]  - [   0.0000000000000000,  0.0003417000000000, -0.0003488600000000 ]  - [   0.0003410300000000,  0.0000000000000000, -0.0003484200000000 ]  - [  -0.0003410300000000,  0.0000000000000000, -0.0003484200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002259400000000 ]  - [   0.0008399600000000,  0.0000894000000000,  0.0005079300000000 ]  - [  -0.0008399600000000,  0.0000894000000000,  0.0005079300000000 ]  - [   0.0000000000000000, -0.0001259400000000, -0.0002051700000000 ]  - [   0.0008399600000000, -0.0000894000000000,  0.0005079300000000 ]  - [  -0.0008399600000000, -0.0000894000000000,  0.0005079300000000 ]  - [   0.0000000000000000,  0.0001259400000000, -0.0002051700000000 ]  - [   0.0001699400000000,  0.0000000000000000, -0.0001000900000000 ]  - [  -0.0001699400000000,  0.0000000000000000, -0.0001000900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001227100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026936300000000 ]  - [  -0.0009088900000000,  0.0000000000000000, -0.0001036400000000 ]  - [   0.0009088900000000,  0.0000000000000000, -0.0001036400000000 ]  - [   0.0000000000000000, -0.0015639600000000,  0.0016112100000000 ]  - [  -0.0003950700000000,  0.0000761100000000, -0.0002548100000000 ]  - [   0.0003950700000000,  0.0000761100000000, -0.0002548100000000 ]  - [   0.0000000000000000,  0.0015639600000000,  0.0016112100000000 ]  - [  -0.0003950700000000, -0.0000761100000000, -0.0002548100000000 ]  - [   0.0003950700000000, -0.0000761100000000, -0.0002548100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032196600000000 ]  - [   0.0015602600000000,  0.0000000000000000,  0.0020796200000000 ]  - [  -0.0015602600000000,  0.0000000000000000,  0.0020796200000000 ]  - [   0.0000000000000000,  0.0009134300000000,  0.0003648700000000 ]  - [  -0.0000760900000000,  0.0003947400000000,  0.0002139400000000 ]  - [   0.0000760900000000,  0.0003947400000000,  0.0002139400000000 ]  - [   0.0000000000000000, -0.0009134300000000,  0.0003648700000000 ]  - [  -0.0000760900000000, -0.0003947400000000,  0.0002139400000000 ]  - [   0.0000760900000000, -0.0003947400000000,  0.0002139400000000 ]  - [  -0.0000911400000000, -0.0008346900000000,  0.0009720900000000 ]  - [   0.0000911400000000, -0.0008346900000000,  0.0009720900000000 ]  - [   0.0000000000000000, -0.0001701100000000,  0.0003689000000000 ]  - [  -0.0000911400000000,  0.0008346900000000,  0.0009720900000000 ]  - [   0.0000911400000000,  0.0008346900000000,  0.0009720900000000 ]  - [   0.0000000000000000,  0.0001701100000000,  0.0003689000000000 ]  - [   0.0001263100000000,  0.0000000000000000,  0.0002634900000000 ]  - [  -0.0001263100000000,  0.0000000000000000,  0.0002634900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003458800000000 ]  - [  -0.0015021600000000,  0.0000000000000000, -0.0020989900000000 ]  - [   0.0015021600000000,  0.0000000000000000, -0.0020989900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004483000000000 ]  - [  -0.0011450100000000,  0.0003816600000000, -0.0004350500000000 ]  - [   0.0011450100000000,  0.0003816600000000, -0.0004350500000000 ]  - [   0.0000000000000000, -0.0001636000000000,  0.0003929900000000 ]  - [  -0.0011450100000000, -0.0003816600000000, -0.0004350500000000 ]  - [   0.0011450100000000, -0.0003816600000000, -0.0004350500000000 ]  - [   0.0000000000000000,  0.0001636000000000,  0.0003929900000000 ]  - [   0.0000000000000000,  0.0015089800000000, -0.0032246300000000 ]  - [  -0.0003801700000000,  0.0011447200000000, -0.0015641800000000 ]  - [   0.0003801700000000,  0.0011447200000000, -0.0015641800000000 ]  - [   0.0000000000000000, -0.0015089800000000, -0.0032246300000000 ]  - [  -0.0003801700000000, -0.0011447200000000, -0.0015641800000000 ]  - [   0.0003801700000000, -0.0011447200000000, -0.0015641800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006826600000000 ]  - [   0.0001627300000000,  0.0000000000000000, -0.0007334200000000 ]  - [  -0.0001627300000000,  0.0000000000000000, -0.0007334200000000 ]  - [  -0.0018850000000000,  0.0000000000000000,  0.0079618900000000 ]  - [   0.0018850000000000,  0.0000000000000000,  0.0079618900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002875400000000 ]  - [  -0.0005497300000000, -0.0008875900000000,  0.0011667000000000 ]  - [   0.0005497300000000, -0.0008875900000000,  0.0011667000000000 ]  - [   0.0000000000000000, -0.0005305300000000,  0.0003139700000000 ]  - [  -0.0005497300000000,  0.0008875900000000,  0.0011667000000000 ]  - [   0.0005497300000000,  0.0008875900000000,  0.0011667000000000 ]  - [   0.0000000000000000,  0.0005305300000000,  0.0003139700000000 ]  - [   0.0000000000000000,  0.0016400600000000,  0.0076798800000000 ]  - [   0.0008933600000000,  0.0005537300000000,  0.0010037300000000 ]  - [  -0.0008933600000000,  0.0005537300000000,  0.0010037300000000 ]  - [   0.0000000000000000, -0.0016400600000000,  0.0076798800000000 ]  - [   0.0008933600000000, -0.0005537300000000,  0.0010037300000000 ]  - [  -0.0008933600000000, -0.0005537300000000,  0.0010037300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001292400000000 ]  - [   0.0005294000000000,  0.0000000000000000,  0.0001539700000000 ]  - [  -0.0005294000000000,  0.0000000000000000,  0.0001539700000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0026784600000000, -0.0000248600000000,  0.0001124100000000 ]  - [   0.0004924900000000,  0.0003902100000000, -0.0001192400000000 ]  - [   0.0004898300000000, -0.0003845500000000,  0.0003750200000000 ]  - [  -0.0002095200000000,  0.0000000000000000,  0.0001262500000000 ]  - [   0.0000863500000000,  0.0000000000000000,  0.0001204000000000 ]  - [   0.0000871600000000,  0.0000000000000000,  0.0001411000000000 ]  - [  -0.0026784600000000,  0.0000248600000000,  0.0001124100000000 ]  - [   0.0004924900000000, -0.0003902100000000, -0.0001192400000000 ]  - [   0.0004898300000000,  0.0003845500000000,  0.0003750200000000 ]  - [  -0.0002490700000000,  0.0000000000000000,  0.0003509100000000 ]  - [   0.0005516000000000,  0.0000000000000000, -0.0001296700000000 ]  - [  -0.0002475300000000,  0.0000000000000000, -0.0006052200000000 ]  - [  -0.0000798800000000,  0.0001350000000000,  0.0000328500000000 ]  - [   0.0001636100000000,  0.0000006500000000, -0.0001316000000000 ]  - [  -0.0000778400000000, -0.0001319600000000, -0.0002861000000000 ]  - [  -0.0000798800000000, -0.0001350000000000,  0.0000328500000000 ]  - [   0.0001636100000000, -0.0000006500000000, -0.0001316000000000 ]  - [  -0.0000778400000000,  0.0001319600000000, -0.0002861000000000 ]  - [  -0.0004737900000000,  0.0019049500000000,  0.0008402600000000 ]  - [   0.0005285900000000,  0.0000023500000000,  0.0000003800000000 ]  - [  -0.0004665300000000, -0.0018771300000000, -0.0008346700000000 ]  - [  -0.0000655300000000,  0.0000000000000000,  0.0001704700000000 ]  - [   0.0001330800000000,  0.0000000000000000,  0.0000008800000000 ]  - [  -0.0000634000000000,  0.0000000000000000, -0.0001696700000000 ]  - [  -0.0004737900000000, -0.0019049500000000,  0.0008402600000000 ]  - [   0.0005285900000000, -0.0000023500000000,  0.0000003800000000 ]  - [  -0.0004665300000000,  0.0018771300000000, -0.0008346700000000 ]  - [  -0.0023995000000000,  0.0000000000000000, -0.0000020400000000 ]  - [   0.0036487300000000,  0.0000000000000000,  0.0015730700000000 ]  - [   0.0036064800000000,  0.0000000000000000, -0.0015512800000000 ]  - [  -0.0003499300000000,  0.0000004900000000, -0.0000014600000000 ]  - [   0.0001689900000000,  0.0001977700000000, -0.0000771200000000 ]  - [   0.0001722000000000, -0.0001938400000000,  0.0000754800000000 ]  - [  -0.0003499300000000, -0.0000004900000000, -0.0000014600000000 ]  - [   0.0001689900000000, -0.0001977700000000, -0.0000771200000000 ]  - [   0.0001722000000000,  0.0001938400000000,  0.0000754800000000 ]  - [  -0.0075061100000000,  0.0000000000000000, -0.0003180200000000 ]  - [   0.0006822300000000,  0.0000000000000000, -0.0005920800000000 ]  - [   0.0006774400000000,  0.0000000000000000,  0.0001155200000000 ]  - [   0.0003252800000000, -0.0000313100000000, -0.0002509100000000 ]  - [   0.0001236400000000,  0.0002904300000000, -0.0002074400000000 ]  - [   0.0001242600000000, -0.0002851900000000, -0.0002608800000000 ]  - [   0.0003252800000000,  0.0000313100000000, -0.0002509100000000 ]  - [   0.0001236400000000, -0.0002904300000000, -0.0002074400000000 ]  - [   0.0001242600000000,  0.0002851900000000, -0.0002608800000000 ]  - [   0.0000004100000000,  0.0028356400000000, -0.0014493000000000 ]  - [   0.0008504300000000,  0.0000009800000000, -0.0002349400000000 ]  - [  -0.0000202600000000, -0.0027751000000000,  0.0009753500000000 ]  - [  -0.0000996000000000,  0.0000000000000000, -0.0003750400000000 ]  - [   0.0002106600000000,  0.0000000000000000, -0.0002355500000000 ]  - [  -0.0000911000000000,  0.0000000000000000, -0.0000943900000000 ]  - [   0.0000004100000000, -0.0028356400000000, -0.0014493000000000 ]  - [   0.0008504300000000, -0.0000009800000000, -0.0002349400000000 ]  - [  -0.0000202600000000,  0.0027751000000000,  0.0009753500000000 ]  - [  -0.0001863900000000,  0.0006809600000000,  0.0001631900000000 ]  - [   0.0002660700000000,  0.0000017800000000,  0.0002344600000000 ]  - [  -0.0001824400000000, -0.0006689100000000,  0.0003106700000000 ]  - [  -0.0000252500000000,  0.0000000000000000,  0.0002319900000000 ]  - [   0.0000707600000000,  0.0000000000000000,  0.0002329900000000 ]  - [  -0.0000244000000000,  0.0000000000000000,  0.0002404900000000 ]  - [  -0.0001863900000000, -0.0006809600000000,  0.0001631900000000 ]  - [   0.0002660700000000, -0.0000017800000000,  0.0002344600000000 ]  - [  -0.0001824400000000,  0.0006689100000000,  0.0003106700000000 ]  - [  -0.0013033800000000,  0.0000000000000000,  0.0002347000000000 ]  - [   0.0008968200000000,  0.0000000000000000,  0.0002285100000000 ]  - [   0.0008948400000000,  0.0000000000000000,  0.0002394700000000 ]  - [  -0.0002082800000000, -0.0000006600000000,  0.0002363300000000 ]  - [   0.0000590600000000,  0.0001103700000000,  0.0003832700000000 ]  - [   0.0000695500000000, -0.0001079600000000,  0.0000883500000000 ]  - [  -0.0002082800000000,  0.0000006600000000,  0.0002363300000000 ]  - [   0.0000590600000000, -0.0001103700000000,  0.0003832700000000 ]  - [   0.0000695500000000,  0.0001079600000000,  0.0000883500000000 ]  - [   0.0062139400000000, -0.0000566600000000,  0.0006242800000000 ]  - [  -0.0013759000000000, -0.0005669400000000,  0.0009949900000000 ]  - [  -0.0013717300000000,  0.0005552500000000,  0.0001432800000000 ]  - [   0.0003485900000000,  0.0000000000000000,  0.0005643100000000 ]  - [  -0.0001640100000000,  0.0000000000000000,  0.0006408400000000 ]  - [  -0.0001718000000000,  0.0000000000000000,  0.0004902600000000 ]  - [   0.0062139400000000,  0.0000566600000000,  0.0006242800000000 ]  - [  -0.0013759000000000,  0.0005669400000000,  0.0009949900000000 ]  - [  -0.0013717300000000, -0.0005552500000000,  0.0001432800000000 ]  - [   0.0007262400000000,  0.0000000000000000, -0.0002319100000000 ]  - [  -0.0009643200000000,  0.0000000000000000, -0.0005648200000000 ]  - [   0.0007140100000000,  0.0000000000000000, -0.0008994200000000 ]  - [   0.0001728200000000, -0.0002490400000000, -0.0007268000000000 ]  - [  -0.0003276000000000, -0.0000031600000000, -0.0005635000000000 ]  - [   0.0001628400000000,  0.0002454000000000, -0.0004176800000000 ]  - [   0.0001728200000000,  0.0002490400000000, -0.0007268000000000 ]  - [  -0.0003276000000000,  0.0000031600000000, -0.0005635000000000 ]  - [   0.0001628400000000, -0.0002454000000000, -0.0004176800000000 ]  - [   0.0015912500000000, -0.0000051900000000,  0.0000787300000000 ]  - [  -0.0007867000000000, -0.0009100700000000, -0.0004650600000000 ]  - [  -0.0007869900000000,  0.0008951300000000,  0.0006172300000000 ]  - [   0.0003816600000000,  0.0000000000000000,  0.0000792300000000 ]  - [  -0.0001867300000000,  0.0000000000000000, -0.0000080300000000 ]  - [  -0.0001917200000000,  0.0000000000000000,  0.0001654800000000 ]  - [   0.0015912500000000,  0.0000051900000000,  0.0000787300000000 ]  - [  -0.0007867000000000,  0.0009100700000000, -0.0004650600000000 ]  - [  -0.0007869900000000, -0.0008951300000000,  0.0006172300000000 ]  - [  -0.0012711100000000,  0.0000000000000000, -0.0043144500000000 ]  - [  -0.0024632700000000,  0.0000000000000000, -0.0000786300000000 ]  - [  -0.0013303100000000,  0.0000000000000000,  0.0041734200000000 ]  - [   0.0003495500000000, -0.0007859400000000, -0.0001565800000000 ]  - [  -0.0006312200000000, -0.0000034200000000, -0.0000805300000000 ]  - [   0.0003346400000000,  0.0007750000000000,  0.0000022300000000 ]  - [   0.0003495500000000,  0.0007859400000000, -0.0001565800000000 ]  - [  -0.0006312200000000,  0.0000034200000000, -0.0000805300000000 ]  - [   0.0003346400000000, -0.0007750000000000,  0.0000022300000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0124687200000000,  0.0099348900000000 ]  - [   0.0003877900000000, -0.0002839300000000,  0.0004989100000000 ]  - [  -0.0003877900000000, -0.0002839300000000,  0.0004989100000000 ]  - [   0.0000000000000000,  0.0023120000000000,  0.0001371600000000 ]  - [   0.0000010700000000,  0.0004848900000000,  0.0001337800000000 ]  - [  -0.0000010700000000,  0.0004848900000000,  0.0001337800000000 ]  - [   0.0000000000000000,  0.0122072300000000, -0.0094019800000000 ]  - [  -0.0003906900000000, -0.0002750800000000, -0.0002282200000000 ]  - [   0.0003906900000000, -0.0002750800000000, -0.0002282200000000 ]  - [   0.0000003200000000, -0.0004725400000000, -0.0001393700000000 ]  - [   0.0000000000000000, -0.0002676800000000, -0.0001360800000000 ]  - [  -0.0000003200000000, -0.0004725400000000, -0.0001393700000000 ]  - [   0.0000915500000000,  0.0002215500000000, -0.0008414400000000 ]  - [   0.0000000000000000,  0.0001356000000000, -0.0002507100000000 ]  - [  -0.0000915500000000,  0.0002215500000000, -0.0008414400000000 ]  - [  -0.0000911800000000,  0.0002260300000000,  0.0005676500000000 ]  - [   0.0000000000000000,  0.0001384800000000, -0.0000170900000000 ]  - [   0.0000911800000000,  0.0002260300000000,  0.0005676500000000 ]  - [   0.0007316500000000, -0.0009969600000000,  0.0000875400000000 ]  - [   0.0000000000000000, -0.0002145400000000, -0.0001269800000000 ]  - [  -0.0007316500000000, -0.0009969600000000,  0.0000875400000000 ]  - [   0.0000010500000000,  0.0014898300000000, -0.0000003400000000 ]  - [   0.0000000000000000,  0.0004274900000000, -0.0000011300000000 ]  - [  -0.0000010500000000,  0.0014898300000000, -0.0000003400000000 ]  - [  -0.0007239600000000, -0.0009699000000000, -0.0000939400000000 ]  - [   0.0000000000000000, -0.0002095900000000,  0.0001264700000000 ]  - [   0.0007239600000000, -0.0009699000000000, -0.0000939400000000 ]  - [   0.0000000000000000, -0.0018542100000000, -0.0000176900000000 ]  - [  -0.0000209700000000, -0.0004015500000000, -0.0000128300000000 ]  - [   0.0000209700000000, -0.0004015500000000, -0.0000128300000000 ]  - [   0.0000000000000000,  0.0011355600000000,  0.0009142300000000 ]  - [   0.0005912700000000,  0.0002353200000000,  0.0003952800000000 ]  - [  -0.0005912700000000,  0.0002353200000000,  0.0003952800000000 ]  - [   0.0000000000000000,  0.0011352500000000, -0.0009090400000000 ]  - [  -0.0005876100000000,  0.0002401300000000, -0.0003934600000000 ]  - [   0.0005876100000000,  0.0002401300000000, -0.0003934600000000 ]  - [   0.0000000000000000, -0.0763484100000000,  0.0001058200000000 ]  - [  -0.0000039100000000, -0.0012648400000000, -0.0002265800000000 ]  - [   0.0000039100000000, -0.0012648400000000, -0.0002265800000000 ]  - [   0.0000000000000000,  0.0131053800000000,  0.0044351000000000 ]  - [   0.0002892100000000,  0.0006474800000000, -0.0004450100000000 ]  - [  -0.0002892100000000,  0.0006474800000000, -0.0004450100000000 ]  - [   0.0000000000000000,  0.0130794400000000, -0.0048673200000000 ]  - [  -0.0002876500000000,  0.0006528900000000, -0.0000184400000000 ]  - [   0.0002876500000000,  0.0006528900000000, -0.0000184400000000 ]  - [   0.0044598800000000, -0.0000100300000000,  0.0006479600000000 ]  - [   0.0000000000000000, -0.0000972500000000,  0.0002642600000000 ]  - [  -0.0044598800000000, -0.0000100300000000,  0.0006479600000000 ]  - [   0.0000035200000000,  0.0008488800000000, -0.0002307500000000 ]  - [   0.0000000000000000,  0.0002084800000000, -0.0002307700000000 ]  - [  -0.0000035200000000,  0.0008488800000000, -0.0002307500000000 ]  - [  -0.0044527600000000, -0.0000117600000000, -0.0011142700000000 ]  - [   0.0000000000000000, -0.0000946200000000, -0.0007252600000000 ]  - [   0.0044527600000000, -0.0000117600000000, -0.0011142700000000 ]  - [   0.0006777600000000, -0.0012301500000000,  0.0000741800000000 ]  - [   0.0000000000000000, -0.0003789400000000,  0.0003586500000000 ]  - [  -0.0006777600000000, -0.0012301500000000,  0.0000741800000000 ]  - [  -0.0000001500000000,  0.0031421500000000,  0.0002294900000000 ]  - [   0.0000000000000000,  0.0007514500000000,  0.0002318200000000 ]  - [   0.0000001500000000,  0.0031421500000000,  0.0002294900000000 ]  - [  -0.0006715800000000, -0.0012185300000000,  0.0003824600000000 ]  - [   0.0000000000000000, -0.0003750300000000,  0.0001025800000000 ]  - [   0.0006715800000000, -0.0012185300000000,  0.0003824600000000 ]  - [   0.0000000000000000, -0.0013010200000000,  0.0002292600000000 ]  - [  -0.0000014600000000, -0.0002062100000000,  0.0002315200000000 ]  - [   0.0000014600000000, -0.0002062100000000,  0.0002315200000000 ]  - [   0.0000000000000000,  0.0008993900000000, -0.0005099800000000 ]  - [   0.0011821600000000,  0.0000646200000000, -0.0003028200000000 ]  - [  -0.0011821600000000,  0.0000646200000000, -0.0003028200000000 ]  - [   0.0000000000000000,  0.0008959800000000,  0.0009649000000000 ]  - [  -0.0011718000000000,  0.0000677900000000,  0.0007610200000000 ]  - [   0.0011718000000000,  0.0000677900000000,  0.0007610200000000 ]  - [   0.0000000000000000,  0.0151390700000000, -0.0157438500000000 ]  - [  -0.0025522700000000,  0.0007088300000000,  0.0005708800000000 ]  - [   0.0025522700000000,  0.0007088300000000,  0.0005708800000000 ]  - [   0.0000000000000000, -0.0093298200000000,  0.0005642700000000 ]  - [  -0.0000025200000000, -0.0013547800000000,  0.0005677200000000 ]  - [   0.0000025200000000, -0.0013547800000000,  0.0005677200000000 ]  - [   0.0000000000000000,  0.0134073700000000,  0.0162197200000000 ]  - [   0.0025523000000000,  0.0006952800000000,  0.0005563200000000 ]  - [  -0.0025523000000000,  0.0006952800000000,  0.0005563200000000 ]  - [  -0.0000038000000000,  0.0031564200000000, -0.0005666900000000 ]  - [   0.0000000000000000,  0.0008531100000000, -0.0005666100000000 ]  - [   0.0000038000000000,  0.0031564200000000, -0.0005666900000000 ]  - [  -0.0015127700000000, -0.0018070800000000,  0.0016232200000000 ]  - [   0.0000000000000000, -0.0004235100000000, -0.0004681600000000 ]  - [   0.0015127700000000, -0.0018070800000000,  0.0016232200000000 ]  - [   0.0014918500000000, -0.0018034700000000, -0.0027406700000000 ]  - [   0.0000000000000000, -0.0004272600000000, -0.0006683800000000 ]  - [  -0.0014918500000000, -0.0018034700000000, -0.0027406700000000 ]  - [   0.0000000000000000,  0.0013050600000000, -0.0009286200000000 ]  - [  -0.0004733600000000,  0.0006808500000000,  0.0001050100000000 ]  - [   0.0004733600000000,  0.0006808500000000,  0.0001050100000000 ]  - [   0.0000000000000000, -0.0024786600000000,  0.0000798700000000 ]  - [  -0.0000022800000000, -0.0013366600000000,  0.0000782400000000 ]  - [   0.0000022800000000, -0.0013366600000000,  0.0000782400000000 ]  - [   0.0000000000000000,  0.0012746300000000,  0.0010893900000000 ]  - [   0.0004749500000000,  0.0006615500000000,  0.0000593200000000 ]  - [  -0.0004749500000000,  0.0006615500000000,  0.0000593200000000 ]  - [   0.0000524300000000,  0.0055963700000000, -0.0000303900000000 ]  - [   0.0000000000000000,  0.0011198100000000, -0.0000818200000000 ]  - [  -0.0000524300000000,  0.0055963700000000, -0.0000303900000000 ]  - [  -0.0023033000000000, -0.0023554200000000, -0.0018732300000000 ]  - [   0.0000000000000000, -0.0005541300000000, -0.0001589000000000 ]  - [   0.0023033000000000, -0.0023554200000000, -0.0018732300000000 ]  - [   0.0022871400000000, -0.0023634400000000,  0.0017116000000000 ]  - [   0.0000000000000000, -0.0005618600000000,  0.0000046500000000 ]  - [  -0.0022871400000000, -0.0023634400000000,  0.0017116000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0109317400000000,  0.0021272400000000 ]  - [   0.0002419000000000,  0.0005110400000000, -0.0004279900000000 ]  - [  -0.0002419000000000,  0.0005110400000000, -0.0004279900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007156800000000 ]  - [  -0.0000230300000000,  0.0000000000000000, -0.0000460600000000 ]  - [   0.0000230300000000,  0.0000000000000000, -0.0000460600000000 ]  - [   0.0000000000000000, -0.0109317400000000,  0.0021272400000000 ]  - [   0.0002419000000000, -0.0005110400000000, -0.0004279900000000 ]  - [  -0.0002419000000000, -0.0005110400000000, -0.0004279900000000 ]  - [   0.0000725900000000,  0.0000000000000000,  0.0016009900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004608800000000 ]  - [  -0.0000725900000000,  0.0000000000000000,  0.0016009900000000 ]  - [   0.0000087000000000,  0.0002042900000000,  0.0005092800000000 ]  - [   0.0000000000000000,  0.0001213000000000,  0.0000390700000000 ]  - [  -0.0000087000000000,  0.0002042900000000,  0.0005092800000000 ]  - [   0.0000087000000000, -0.0002042900000000,  0.0005092800000000 ]  - [   0.0000000000000000, -0.0001213000000000,  0.0000390700000000 ]  - [  -0.0000087000000000, -0.0002042900000000,  0.0005092800000000 ]  - [   0.0000126500000000,  0.0016131000000000,  0.0007403400000000 ]  - [   0.0000000000000000,  0.0002879600000000,  0.0000287700000000 ]  - [  -0.0000126500000000,  0.0016131000000000,  0.0007403400000000 ]  - [  -0.0000898400000000,  0.0000000000000000,  0.0001342900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001112300000000 ]  - [   0.0000898400000000,  0.0000000000000000,  0.0001342900000000 ]  - [   0.0000126500000000, -0.0016131000000000,  0.0007403400000000 ]  - [   0.0000000000000000, -0.0002879600000000,  0.0000287700000000 ]  - [  -0.0000126500000000, -0.0016131000000000,  0.0007403400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029870000000000 ]  - [   0.0029701100000000,  0.0000000000000000,  0.0018538900000000 ]  - [  -0.0029701100000000,  0.0000000000000000,  0.0018538900000000 ]  - [   0.0000000000000000,  0.0006570100000000,  0.0001300900000000 ]  - [  -0.0000671600000000,  0.0002171600000000, -0.0000212200000000 ]  - [   0.0000671600000000,  0.0002171600000000, -0.0000212200000000 ]  - [   0.0000000000000000, -0.0006570100000000,  0.0001300900000000 ]  - [  -0.0000671600000000, -0.0002171600000000, -0.0000212200000000 ]  - [   0.0000671600000000, -0.0002171600000000, -0.0000212200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0272053500000000 ]  - [   0.0003558000000000,  0.0000000000000000, -0.0011161200000000 ]  - [  -0.0003558000000000,  0.0000000000000000, -0.0011161200000000 ]  - [   0.0000000000000000, -0.0046551200000000, -0.0032548300000000 ]  - [  -0.0000266800000000,  0.0002134400000000, -0.0003863400000000 ]  - [   0.0000266800000000,  0.0002134400000000, -0.0003863400000000 ]  - [   0.0000000000000000,  0.0046551200000000, -0.0032548300000000 ]  - [  -0.0000266800000000, -0.0002134400000000, -0.0003863400000000 ]  - [   0.0000266800000000, -0.0002134400000000, -0.0003863400000000 ]  - [  -0.0008865300000000,  0.0012086100000000, -0.0016135200000000 ]  - [   0.0000000000000000,  0.0001411700000000, -0.0005042700000000 ]  - [   0.0008865300000000,  0.0012086100000000, -0.0016135200000000 ]  - [  -0.0004971700000000,  0.0000000000000000, -0.0005032700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004316900000000 ]  - [   0.0004971700000000,  0.0000000000000000, -0.0005032700000000 ]  - [  -0.0008865300000000, -0.0012086100000000, -0.0016135200000000 ]  - [   0.0000000000000000, -0.0001411700000000, -0.0005042700000000 ]  - [   0.0008865300000000, -0.0012086100000000, -0.0016135200000000 ]  - [  -0.0000750800000000, -0.0001501400000000,  0.0009499400000000 ]  - [   0.0000000000000000,  0.0001283800000000,  0.0004371200000000 ]  - [   0.0000750800000000, -0.0001501400000000,  0.0009499400000000 ]  - [  -0.0000042500000000,  0.0000000000000000,  0.0006572700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002570800000000 ]  - [   0.0000042500000000,  0.0000000000000000,  0.0006572700000000 ]  - [  -0.0000750800000000,  0.0001501400000000,  0.0009499400000000 ]  - [   0.0000000000000000, -0.0001283800000000,  0.0004371200000000 ]  - [   0.0000750800000000,  0.0001501400000000,  0.0009499400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006861400000000 ]  - [  -0.0007345800000000,  0.0000000000000000,  0.0007284300000000 ]  - [   0.0007345800000000,  0.0000000000000000,  0.0007284300000000 ]  - [   0.0000000000000000, -0.0000052300000000,  0.0007304700000000 ]  - [  -0.0005343400000000,  0.0001481500000000,  0.0005741700000000 ]  - [   0.0005343400000000,  0.0001481500000000,  0.0005741700000000 ]  - [   0.0000000000000000,  0.0000052300000000,  0.0007304700000000 ]  - [  -0.0005343400000000, -0.0001481500000000,  0.0005741700000000 ]  - [   0.0005343400000000, -0.0001481500000000,  0.0005741700000000 ]  - [   0.0000000000000000, -0.0131321000000000,  0.0157478300000000 ]  - [   0.0002315600000000, -0.0005136400000000,  0.0013777200000000 ]  - [  -0.0002315600000000, -0.0005136400000000,  0.0013777200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006816700000000 ]  - [   0.0003352500000000,  0.0000000000000000,  0.0008796100000000 ]  - [  -0.0003352500000000,  0.0000000000000000,  0.0008796100000000 ]  - [   0.0000000000000000,  0.0131321000000000,  0.0157478300000000 ]  - [   0.0002315600000000,  0.0005136400000000,  0.0013777200000000 ]  - [  -0.0002315600000000,  0.0005136400000000,  0.0013777200000000 ]  - [   0.0001844300000000,  0.0000000000000000, -0.0020855300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008883400000000 ]  - [  -0.0001844300000000,  0.0000000000000000, -0.0020855300000000 ]  - [   0.0005839000000000,  0.0000532300000000, -0.0016682400000000 ]  - [   0.0000000000000000, -0.0002063900000000, -0.0007100500000000 ]  - [  -0.0005839000000000,  0.0000532300000000, -0.0016682400000000 ]  - [   0.0005839000000000, -0.0000532300000000, -0.0016682400000000 ]  - [   0.0000000000000000,  0.0002063900000000, -0.0007100500000000 ]  - [  -0.0005839000000000, -0.0000532300000000, -0.0016682400000000 ]  - [   0.0000000000000000, -0.0013623800000000, -0.0020969500000000 ]  - [  -0.0002199800000000, -0.0009520600000000, -0.0008810700000000 ]  - [   0.0002199800000000, -0.0009520600000000, -0.0008810700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003894000000000 ]  - [   0.0001770300000000,  0.0000000000000000, -0.0002098100000000 ]  - [  -0.0001770300000000,  0.0000000000000000, -0.0002098100000000 ]  - [   0.0000000000000000,  0.0013623800000000, -0.0020969500000000 ]  - [  -0.0002199800000000,  0.0009520600000000, -0.0008810700000000 ]  - [   0.0002199800000000,  0.0009520600000000, -0.0008810700000000 ]  - [  -0.0050533900000000,  0.0000000000000000, -0.0021986400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005458700000000 ]  - [   0.0050533900000000,  0.0000000000000000, -0.0021986400000000 ]  - [   0.0000517700000000, -0.0012777600000000,  0.0006297400000000 ]  - [   0.0000000000000000, -0.0004236600000000,  0.0000151200000000 ]  - [  -0.0000517700000000, -0.0012777600000000,  0.0006297400000000 ]  - [   0.0000517700000000,  0.0012777600000000,  0.0006297400000000 ]  - [   0.0000000000000000,  0.0004236600000000,  0.0000151200000000 ]  - [  -0.0000517700000000,  0.0012777600000000,  0.0006297400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0108046300000000, -0.0018355600000000 ]  - [  -0.0002409300000000, -0.0005070600000000,  0.0006841700000000 ]  - [   0.0002409300000000, -0.0005070600000000,  0.0006841700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009767200000000 ]  - [   0.0000236300000000,  0.0000000000000000,  0.0003094200000000 ]  - [  -0.0000236300000000,  0.0000000000000000,  0.0003094200000000 ]  - [   0.0000000000000000,  0.0108046300000000, -0.0018355600000000 ]  - [  -0.0002409300000000,  0.0005070600000000,  0.0006841700000000 ]  - [   0.0002409300000000,  0.0005070600000000,  0.0006841700000000 ]  - [  -0.0000714700000000,  0.0000000000000000, -0.0018636400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007194400000000 ]  - [   0.0000714700000000,  0.0000000000000000, -0.0018636400000000 ]  - [  -0.0000093800000000, -0.0002025100000000, -0.0007658200000000 ]  - [   0.0000000000000000, -0.0001208600000000, -0.0003013900000000 ]  - [   0.0000093800000000, -0.0002025100000000, -0.0007658200000000 ]  - [  -0.0000093800000000,  0.0002025100000000, -0.0007658200000000 ]  - [   0.0000000000000000,  0.0001208600000000, -0.0003013900000000 ]  - [   0.0000093800000000,  0.0002025100000000, -0.0007658200000000 ]  - [  -0.0000154900000000, -0.0016051600000000, -0.0007386500000000 ]  - [   0.0000000000000000, -0.0002856400000000, -0.0000285700000000 ]  - [   0.0000154900000000, -0.0016051600000000, -0.0007386500000000 ]  - [   0.0000891300000000,  0.0000000000000000, -0.0001333400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001103800000000 ]  - [  -0.0000891300000000,  0.0000000000000000, -0.0001333400000000 ]  - [  -0.0000154900000000,  0.0016051600000000, -0.0007386500000000 ]  - [   0.0000000000000000,  0.0002856400000000, -0.0000285700000000 ]  - [   0.0000154900000000,  0.0016051600000000, -0.0007386500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029247000000000 ]  - [  -0.0029429000000000,  0.0000000000000000, -0.0018359700000000 ]  - [   0.0029429000000000,  0.0000000000000000, -0.0018359700000000 ]  - [   0.0000000000000000, -0.0006534000000000, -0.0001303900000000 ]  - [   0.0000662100000000, -0.0002150700000000,  0.0000209400000000 ]  - [  -0.0000662100000000, -0.0002150700000000,  0.0000209400000000 ]  - [   0.0000000000000000,  0.0006534000000000, -0.0001303900000000 ]  - [   0.0000662100000000,  0.0002150700000000,  0.0000209400000000 ]  - [  -0.0000662100000000,  0.0002150700000000,  0.0000209400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0263213900000000 ]  - [  -0.0003529000000000,  0.0000000000000000,  0.0006376800000000 ]  - [   0.0003529000000000,  0.0000000000000000,  0.0006376800000000 ]  - [   0.0000000000000000,  0.0046471300000000,  0.0027710600000000 ]  - [   0.0000260200000000, -0.0002129600000000, -0.0000832300000000 ]  - [  -0.0000260200000000, -0.0002129600000000, -0.0000832300000000 ]  - [   0.0000000000000000, -0.0046471300000000,  0.0027710600000000 ]  - [   0.0000260200000000,  0.0002129600000000, -0.0000832300000000 ]  - [  -0.0000260200000000,  0.0002129600000000, -0.0000832300000000 ]  - [   0.0008762100000000, -0.0012159100000000,  0.0011371100000000 ]  - [   0.0000000000000000, -0.0001404400000000,  0.0000325900000000 ]  - [  -0.0008762100000000, -0.0012159100000000,  0.0011371100000000 ]  - [   0.0004942000000000,  0.0000000000000000,  0.0000335100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000390100000000 ]  - [  -0.0004942000000000,  0.0000000000000000,  0.0000335100000000 ]  - [   0.0008762100000000,  0.0012159100000000,  0.0011371100000000 ]  - [   0.0000000000000000,  0.0001404400000000,  0.0000325900000000 ]  - [  -0.0008762100000000,  0.0012159100000000,  0.0011371100000000 ]  - [   0.0000724900000000,  0.0001583800000000, -0.0004761600000000 ]  - [   0.0000000000000000, -0.0001272500000000,  0.0000341900000000 ]  - [  -0.0000724900000000,  0.0001583800000000, -0.0004761600000000 ]  - [   0.0000039600000000,  0.0000000000000000, -0.0001847200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002125600000000 ]  - [  -0.0000039600000000,  0.0000000000000000, -0.0001847200000000 ]  - [   0.0000724900000000, -0.0001583800000000, -0.0004761600000000 ]  - [   0.0000000000000000,  0.0001272500000000,  0.0000341900000000 ]  - [  -0.0000724900000000, -0.0001583800000000, -0.0004761600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002110200000000 ]  - [   0.0007410200000000,  0.0000000000000000, -0.0002593200000000 ]  - [  -0.0007410200000000,  0.0000000000000000, -0.0002593200000000 ]  - [   0.0000000000000000,  0.0000055800000000, -0.0002573100000000 ]  - [   0.0005292300000000, -0.0001469600000000, -0.0001019800000000 ]  - [  -0.0005292300000000, -0.0001469600000000, -0.0001019800000000 ]  - [   0.0000000000000000, -0.0000055800000000, -0.0002573100000000 ]  - [   0.0005292300000000,  0.0001469600000000, -0.0001019800000000 ]  - [  -0.0005292300000000,  0.0001469600000000, -0.0001019800000000 ]  - [   0.0000000000000000,  0.0133162000000000, -0.0145047400000000 ]  - [  -0.0002221100000000,  0.0005080000000000, -0.0002445400000000 ]  - [   0.0002221100000000,  0.0005080000000000, -0.0002445400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004468200000000 ]  - [  -0.0003314200000000,  0.0000000000000000,  0.0002486200000000 ]  - [   0.0003314200000000,  0.0000000000000000,  0.0002486200000000 ]  - [   0.0000000000000000, -0.0133162000000000, -0.0145047400000000 ]  - [  -0.0002221100000000, -0.0005080000000000, -0.0002445400000000 ]  - [   0.0002221100000000, -0.0005080000000000, -0.0002445400000000 ]  - [  -0.0001715700000000,  0.0000000000000000,  0.0009508100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002444400000000 ]  - [   0.0001715700000000,  0.0000000000000000,  0.0009508100000000 ]  - [  -0.0005814800000000, -0.0000555000000000,  0.0005325400000000 ]  - [   0.0000000000000000,  0.0002028800000000, -0.0004161700000000 ]  - [   0.0005814800000000, -0.0000555000000000,  0.0005325400000000 ]  - [  -0.0005814800000000,  0.0000555000000000,  0.0005325400000000 ]  - [   0.0000000000000000, -0.0002028800000000, -0.0004161700000000 ]  - [   0.0005814800000000,  0.0000555000000000,  0.0005325400000000 ]  - [   0.0000000000000000,  0.0013490000000000,  0.0022491200000000 ]  - [   0.0002201900000000,  0.0009428800000000,  0.0010386900000000 ]  - [  -0.0002201900000000,  0.0009428800000000,  0.0010386900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005491200000000 ]  - [  -0.0001749600000000,  0.0000000000000000,  0.0003687900000000 ]  - [   0.0001749600000000,  0.0000000000000000,  0.0003687900000000 ]  - [   0.0000000000000000, -0.0013490000000000,  0.0022491200000000 ]  - [   0.0002201900000000, -0.0009428800000000,  0.0010386900000000 ]  - [  -0.0002201900000000, -0.0009428800000000,  0.0010386900000000 ]  - [   0.0050673500000000,  0.0000000000000000,  0.0020773800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007022900000000 ]  - [  -0.0050673500000000,  0.0000000000000000,  0.0020773800000000 ]  - [  -0.0000509100000000,  0.0012740400000000, -0.0007858300000000 ]  - [   0.0000000000000000,  0.0004212200000000, -0.0001741800000000 ]  - [   0.0000509100000000,  0.0012740400000000, -0.0007858300000000 ]  - [  -0.0000509100000000, -0.0012740400000000, -0.0007858300000000 ]  - [   0.0000000000000000, -0.0004212200000000, -0.0001741800000000 ]  - [   0.0000509100000000, -0.0012740400000000, -0.0007858300000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0111186600000000,  0.0000000000000000, -0.0000144400000000 ]  - [  -0.0039514400000000,  0.0000000000000000, -0.0023533000000000 ]  - [  -0.0039471300000000,  0.0000000000000000,  0.0026089900000000 ]  - [   0.0008650200000000,  0.0000057100000000,  0.0001400300000000 ]  - [  -0.0004572500000000, -0.0004370300000000,  0.0000512000000000 ]  - [  -0.0004599000000000,  0.0004341100000000,  0.0002147000000000 ]  - [   0.0008650200000000, -0.0000057100000000,  0.0001400300000000 ]  - [  -0.0004572500000000,  0.0004370300000000,  0.0000512000000000 ]  - [  -0.0004599000000000, -0.0004341100000000,  0.0002147000000000 ]  - [   0.0003126700000000,  0.0001171800000000,  0.0004419600000000 ]  - [  -0.0006594800000000,  0.0000007000000000, -0.0001313800000000 ]  - [   0.0003119500000000, -0.0001174000000000, -0.0007095600000000 ]  - [   0.0003126700000000, -0.0001171800000000,  0.0004419600000000 ]  - [  -0.0006594800000000, -0.0000007000000000, -0.0001313800000000 ]  - [   0.0003119500000000,  0.0001174000000000, -0.0007095600000000 ]  - [   0.0001867400000000,  0.0000000000000000, -0.0001635000000000 ]  - [  -0.0003684900000000,  0.0000000000000000, -0.0001319800000000 ]  - [   0.0001847500000000,  0.0000000000000000, -0.0001036300000000 ]  - [   0.0009836100000000,  0.0000000000000000, -0.0015053600000000 ]  - [  -0.0015769000000000,  0.0000000000000000, -0.0000020200000000 ]  - [   0.0009675400000000,  0.0000000000000000,  0.0015055900000000 ]  - [   0.0003555600000000, -0.0018987500000000, -0.0011459700000000 ]  - [  -0.0006911000000000, -0.0000015200000000, -0.0000003200000000 ]  - [   0.0003527400000000,  0.0018898300000000,  0.0011435800000000 ]  - [   0.0003555600000000,  0.0018987500000000, -0.0011459700000000 ]  - [  -0.0006911000000000,  0.0000015200000000, -0.0000003200000000 ]  - [   0.0003527400000000, -0.0018898300000000,  0.0011435800000000 ]  - [   0.0029497800000000, -0.0000070800000000,  0.0000024800000000 ]  - [  -0.0015705700000000,  0.0003102900000000, -0.0003816600000000 ]  - [  -0.0015754900000000, -0.0003088500000000,  0.0003809700000000 ]  - [   0.0029497800000000,  0.0000070800000000,  0.0000024800000000 ]  - [  -0.0015705700000000, -0.0003102900000000, -0.0003816600000000 ]  - [  -0.0015754900000000,  0.0003088500000000,  0.0003809700000000 ]  - [   0.0006711600000000,  0.0000000000000000,  0.0000005500000000 ]  - [  -0.0003317300000000,  0.0000000000000000,  0.0001649600000000 ]  - [  -0.0003354600000000,  0.0000000000000000, -0.0001621700000000 ]  - [   0.0062119200000000,  0.0000449200000000, -0.0002631600000000 ]  - [  -0.0013764700000000,  0.0025629600000000, -0.0004593100000000 ]  - [  -0.0013735200000000, -0.0025435900000000, -0.0000063400000000 ]  - [   0.0062119200000000, -0.0000449200000000, -0.0002631600000000 ]  - [  -0.0013764700000000, -0.0025629600000000, -0.0004593100000000 ]  - [  -0.0013735200000000,  0.0025435900000000, -0.0000063400000000 ]  - [   0.0003471900000000,  0.0000000000000000, -0.0002252700000000 ]  - [  -0.0001679800000000,  0.0000000000000000, -0.0005650300000000 ]  - [  -0.0001696500000000,  0.0000000000000000,  0.0001004300000000 ]  - [   0.0151863000000000,  0.0000000000000000,  0.0133666500000000 ]  - [  -0.0093310300000000,  0.0000000000000000, -0.0002404800000000 ]  - [   0.0133606600000000,  0.0000000000000000, -0.0130957800000000 ]  - [   0.0007086900000000, -0.0005621000000000,  0.0002804900000000 ]  - [  -0.0013543900000000, -0.0000009800000000, -0.0002305500000000 ]  - [   0.0006946000000000,  0.0005619900000000, -0.0007420100000000 ]  - [   0.0007086900000000,  0.0005621000000000,  0.0002804900000000 ]  - [  -0.0013543900000000,  0.0000009800000000, -0.0002305500000000 ]  - [   0.0006946000000000, -0.0005619900000000, -0.0007420100000000 ]  - [   0.0007271700000000,  0.0000000000000000,  0.0004064500000000 ]  - [  -0.0009633000000000,  0.0000000000000000,  0.0002336100000000 ]  - [   0.0007157300000000,  0.0000000000000000,  0.0000502000000000 ]  - [   0.0001693300000000, -0.0015022600000000,  0.0008137700000000 ]  - [  -0.0003262900000000, -0.0000018600000000,  0.0002330800000000 ]  - [   0.0001685300000000,  0.0015018400000000, -0.0003510400000000 ]  - [   0.0001693300000000,  0.0015022600000000,  0.0008137700000000 ]  - [  -0.0003262900000000,  0.0000018600000000,  0.0002330800000000 ]  - [   0.0001685300000000, -0.0015018400000000, -0.0003510400000000 ]  - [   0.0031564100000000, -0.0000016700000000,  0.0002370500000000 ]  - [  -0.0018009800000000,  0.0002485900000000,  0.0002858900000000 ]  - [  -0.0018121700000000, -0.0002466400000000,  0.0001774900000000 ]  - [   0.0031564100000000,  0.0000016700000000,  0.0002370500000000 ]  - [  -0.0018009800000000, -0.0002485900000000,  0.0002858900000000 ]  - [  -0.0018121700000000,  0.0002466400000000,  0.0001774900000000 ]  - [   0.0008517900000000,  0.0000000000000000,  0.0002321400000000 ]  - [  -0.0004231000000000,  0.0000000000000000,  0.0000272900000000 ]  - [  -0.0004286900000000,  0.0000000000000000,  0.0004357900000000 ]  - [  -0.0814298000000000,  0.0000000000000000, -0.0000414200000000 ]  - [   0.0233581700000000,  0.0000000000000000, -0.0014806200000000 ]  - [   0.0232028100000000,  0.0000000000000000,  0.0026044600000000 ]  - [  -0.0020561000000000, -0.0000383000000000,  0.0005715700000000 ]  - [   0.0010386700000000,  0.0017934900000000,  0.0003716300000000 ]  - [   0.0010462300000000, -0.0017804900000000,  0.0007648700000000 ]  - [  -0.0020561000000000,  0.0000383000000000,  0.0005715700000000 ]  - [   0.0010386700000000, -0.0017934900000000,  0.0003716300000000 ]  - [   0.0010462300000000,  0.0017804900000000,  0.0007648700000000 ]  - [  -0.0011023900000000, -0.0011794600000000, -0.0031893700000000 ]  - [   0.0025058500000000, -0.0000011800000000, -0.0005717300000000 ]  - [  -0.0010811900000000,  0.0011844300000000,  0.0020564200000000 ]  - [  -0.0011023900000000,  0.0011794600000000, -0.0031893700000000 ]  - [   0.0025058500000000,  0.0000011800000000, -0.0005717300000000 ]  - [  -0.0010811900000000, -0.0011844300000000,  0.0020564200000000 ]  - [  -0.0004865300000000,  0.0000000000000000, -0.0004795100000000 ]  - [   0.0009746900000000,  0.0000000000000000, -0.0005687200000000 ]  - [  -0.0004800000000000,  0.0000000000000000, -0.0006527300000000 ]  - [  -0.0035026200000000,  0.0000000000000000,  0.0000634400000000 ]  - [   0.0017429400000000,  0.0000000000000000,  0.0009141200000000 ]  - [   0.0017492100000000,  0.0000000000000000, -0.0007521400000000 ]  - [  -0.0022961800000000, -0.0000025300000000,  0.0000774300000000 ]  - [   0.0011446500000000,  0.0006018000000000,  0.0003018200000000 ]  - [   0.0011488100000000, -0.0005987500000000, -0.0001446300000000 ]  - [  -0.0022961800000000,  0.0000025300000000,  0.0000774300000000 ]  - [   0.0011446500000000, -0.0006018000000000,  0.0003018200000000 ]  - [   0.0011488100000000,  0.0005987500000000, -0.0001446300000000 ]  - [  -0.0006145900000000, -0.0079629500000000,  0.0079008400000000 ]  - [   0.0038064200000000, -0.0000056900000000, -0.0000706200000000 ]  - [  -0.0005605200000000,  0.0079247900000000, -0.0080205900000000 ]  - [  -0.0006145900000000,  0.0079629500000000,  0.0079008400000000 ]  - [   0.0038064200000000,  0.0000056900000000, -0.0000706200000000 ]  - [  -0.0005605200000000, -0.0079247900000000, -0.0080205900000000 ]  - [  -0.0006937000000000,  0.0000000000000000, -0.0002324100000000 ]  - [   0.0013818100000000,  0.0000000000000000, -0.0000755000000000 ]  - [  -0.0006818100000000,  0.0000000000000000,  0.0000733500000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0744545900000000 ]  - [  -0.0003007500000000,  0.0000000000000000,  0.0011408700000000 ]  - [   0.0003007500000000,  0.0000000000000000,  0.0011408700000000 ]  - [   0.0000000000000000, -0.0003007500000000,  0.0011408700000000 ]  - [  -0.0003594300000000, -0.0003594300000000,  0.0006259700000000 ]  - [   0.0003594300000000, -0.0003594300000000,  0.0006259700000000 ]  - [   0.0000000000000000,  0.0003007500000000,  0.0011408700000000 ]  - [  -0.0003594300000000,  0.0003594300000000,  0.0006259700000000 ]  - [   0.0003594300000000,  0.0003594300000000,  0.0006259700000000 ]  - [  -0.0001758800000000,  0.0001758800000000, -0.0030021400000000 ]  - [   0.0000000000000000,  0.0000632900000000, -0.0007257600000000 ]  - [   0.0001758800000000,  0.0001758800000000, -0.0030021400000000 ]  - [  -0.0001758800000000, -0.0001758800000000, -0.0030021400000000 ]  - [   0.0000000000000000, -0.0000632900000000, -0.0007257600000000 ]  - [   0.0001758800000000, -0.0001758800000000, -0.0030021400000000 ]  - [  -0.0000632900000000,  0.0000000000000000, -0.0007257600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003042700000000 ]  - [   0.0000632900000000,  0.0000000000000000, -0.0007257600000000 ]  - [  -0.0025456300000000,  0.0000000000000000, -0.0026610600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001153000000000 ]  - [   0.0025456300000000,  0.0000000000000000, -0.0026610600000000 ]  - [   0.0000214000000000, -0.0012550100000000, -0.0009982700000000 ]  - [   0.0000000000000000, -0.0001326200000000, -0.0001673800000000 ]  - [  -0.0000214000000000, -0.0012550100000000, -0.0009982700000000 ]  - [   0.0000214000000000,  0.0012550100000000, -0.0009982700000000 ]  - [   0.0000000000000000,  0.0001326200000000, -0.0001673800000000 ]  - [  -0.0000214000000000,  0.0012550100000000, -0.0009982700000000 ]  - [   0.0000000000000000,  0.0025456300000000, -0.0026610600000000 ]  - [  -0.0012550100000000, -0.0000214000000000, -0.0009982700000000 ]  - [   0.0012550100000000, -0.0000214000000000, -0.0009982700000000 ]  - [   0.0000000000000000, -0.0025456300000000, -0.0026610600000000 ]  - [  -0.0012550100000000,  0.0000214000000000, -0.0009982700000000 ]  - [   0.0012550100000000,  0.0000214000000000, -0.0009982700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001153000000000 ]  - [  -0.0001326200000000,  0.0000000000000000, -0.0001673800000000 ]  - [   0.0001326200000000,  0.0000000000000000, -0.0001673800000000 ]  - [   0.0000000000000000, -0.0160958800000000,  0.0148563800000000 ]  - [  -0.0004240700000000,  0.0000013000000000,  0.0005787500000000 ]  - [   0.0004240700000000,  0.0000013000000000,  0.0005787500000000 ]  - [   0.0000000000000000,  0.0160958800000000,  0.0148563800000000 ]  - [  -0.0004240700000000, -0.0000013000000000,  0.0005787500000000 ]  - [   0.0004240700000000, -0.0000013000000000,  0.0005787500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001097900000000 ]  - [  -0.0000758100000000,  0.0000000000000000,  0.0000822300000000 ]  - [   0.0000758100000000,  0.0000000000000000,  0.0000822300000000 ]  - [   0.0160958800000000,  0.0000000000000000,  0.0148563800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001097900000000 ]  - [  -0.0160958800000000,  0.0000000000000000,  0.0148563800000000 ]  - [  -0.0000013000000000, -0.0004240700000000,  0.0005787500000000 ]  - [   0.0000000000000000, -0.0000758100000000,  0.0000822300000000 ]  - [   0.0000013000000000, -0.0004240700000000,  0.0005787500000000 ]  - [  -0.0000013000000000,  0.0004240700000000,  0.0005787500000000 ]  - [   0.0000000000000000,  0.0000758100000000,  0.0000822300000000 ]  - [   0.0000013000000000,  0.0004240700000000,  0.0005787500000000 ]  - [   0.0003275000000000,  0.0000000000000000, -0.0012826800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000891800000000 ]  - [  -0.0003275000000000,  0.0000000000000000, -0.0012826800000000 ]  - [  -0.0001550500000000,  0.0021689400000000, -0.0008642100000000 ]  - [   0.0000000000000000,  0.0001028400000000,  0.0000861500000000 ]  - [   0.0001550500000000,  0.0021689400000000, -0.0008642100000000 ]  - [  -0.0001550500000000, -0.0021689400000000, -0.0008642100000000 ]  - [   0.0000000000000000, -0.0001028400000000,  0.0000861500000000 ]  - [   0.0001550500000000, -0.0021689400000000, -0.0008642100000000 ]  - [   0.0000000000000000, -0.0003275000000000, -0.0012826800000000 ]  - [   0.0021689400000000,  0.0001550500000000, -0.0008642100000000 ]  - [  -0.0021689400000000,  0.0001550500000000, -0.0008642100000000 ]  - [   0.0000000000000000,  0.0003275000000000, -0.0012826800000000 ]  - [   0.0021689400000000, -0.0001550500000000, -0.0008642100000000 ]  - [  -0.0021689400000000, -0.0001550500000000, -0.0008642100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000891800000000 ]  - [   0.0001028400000000,  0.0000000000000000,  0.0000861500000000 ]  - [  -0.0001028400000000,  0.0000000000000000,  0.0000861500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1444475500000000 ]  - [   0.0020101500000000,  0.0000000000000000, -0.0014459900000000 ]  - [  -0.0020101500000000,  0.0000000000000000, -0.0014459900000000 ]  - [   0.0000000000000000,  0.0020101500000000, -0.0014459900000000 ]  - [   0.0001949100000000,  0.0001949100000000, -0.0005484800000000 ]  - [  -0.0001949100000000,  0.0001949100000000, -0.0005484800000000 ]  - [   0.0000000000000000, -0.0020101500000000, -0.0014459900000000 ]  - [   0.0001949100000000, -0.0001949100000000, -0.0005484800000000 ]  - [  -0.0001949100000000, -0.0001949100000000, -0.0005484800000000 ]  - [  -0.0026108100000000,  0.0026108100000000,  0.0041290700000000 ]  - [   0.0000000000000000, -0.0000837400000000, -0.0004683900000000 ]  - [   0.0026108100000000,  0.0026108100000000,  0.0041290700000000 ]  - [  -0.0026108100000000, -0.0026108100000000,  0.0041290700000000 ]  - [   0.0000000000000000,  0.0000837400000000, -0.0004683900000000 ]  - [   0.0026108100000000, -0.0026108100000000,  0.0041290700000000 ]  - [   0.0000837400000000,  0.0000000000000000, -0.0004683900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004288700000000 ]  - [  -0.0000837400000000,  0.0000000000000000, -0.0004683900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0122482100000000 ]  - [   0.0007993800000000,  0.0000000000000000,  0.0023484700000000 ]  - [  -0.0007993800000000,  0.0000000000000000,  0.0023484700000000 ]  - [   0.0000000000000000,  0.0007993800000000,  0.0023484700000000 ]  - [   0.0000996900000000,  0.0000996900000000,  0.0011738100000000 ]  - [  -0.0000996900000000,  0.0000996900000000,  0.0011738100000000 ]  - [   0.0000000000000000, -0.0007993800000000,  0.0023484700000000 ]  - [   0.0000996900000000, -0.0000996900000000,  0.0011738100000000 ]  - [  -0.0000996900000000, -0.0000996900000000,  0.0011738100000000 ]  - [   0.0078284100000000, -0.0078284100000000,  0.0034577100000000 ]  - [   0.0000000000000000, -0.0002346900000000, -0.0002196700000000 ]  - [  -0.0078284100000000, -0.0078284100000000,  0.0034577100000000 ]  - [   0.0078284100000000,  0.0078284100000000,  0.0034577100000000 ]  - [   0.0000000000000000,  0.0002346900000000, -0.0002196700000000 ]  - [  -0.0078284100000000,  0.0078284100000000,  0.0034577100000000 ]  - [   0.0002346900000000,  0.0000000000000000, -0.0002196700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001401000000000 ]  - [  -0.0002346900000000,  0.0000000000000000, -0.0002196700000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0690837000000000 ]  - [   0.0003158700000000,  0.0000000000000000, -0.0008478200000000 ]  - [  -0.0003158700000000,  0.0000000000000000, -0.0008478200000000 ]  - [   0.0000000000000000,  0.0003158700000000, -0.0008478200000000 ]  - [   0.0003607400000000,  0.0003607400000000, -0.0003536100000000 ]  - [  -0.0003607400000000,  0.0003607400000000, -0.0003536100000000 ]  - [   0.0000000000000000, -0.0003158700000000, -0.0008478200000000 ]  - [   0.0003607400000000, -0.0003607400000000, -0.0003536100000000 ]  - [  -0.0003607400000000, -0.0003607400000000, -0.0003536100000000 ]  - [   0.0001719100000000, -0.0001719100000000,  0.0027428900000000 ]  - [   0.0000000000000000, -0.0000621700000000,  0.0004549200000000 ]  - [  -0.0001719100000000, -0.0001719100000000,  0.0027428900000000 ]  - [   0.0001719100000000,  0.0001719100000000,  0.0027428900000000 ]  - [   0.0000000000000000,  0.0000621700000000,  0.0004549200000000 ]  - [  -0.0001719100000000,  0.0001719100000000,  0.0027428900000000 ]  - [   0.0000621700000000,  0.0000000000000000,  0.0004549200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000331600000000 ]  - [  -0.0000621700000000,  0.0000000000000000,  0.0004549200000000 ]  - [   0.0025339400000000,  0.0000000000000000,  0.0026638100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001228100000000 ]  - [  -0.0025339400000000,  0.0000000000000000,  0.0026638100000000 ]  - [  -0.0000223000000000,  0.0012554200000000,  0.0010040100000000 ]  - [   0.0000000000000000,  0.0001352500000000,  0.0001722900000000 ]  - [   0.0000223000000000,  0.0012554200000000,  0.0010040100000000 ]  - [  -0.0000223000000000, -0.0012554200000000,  0.0010040100000000 ]  - [   0.0000000000000000, -0.0001352500000000,  0.0001722900000000 ]  - [   0.0000223000000000, -0.0012554200000000,  0.0010040100000000 ]  - [   0.0000000000000000, -0.0025339400000000,  0.0026638100000000 ]  - [   0.0012554200000000,  0.0000223000000000,  0.0010040100000000 ]  - [  -0.0012554200000000,  0.0000223000000000,  0.0010040100000000 ]  - [   0.0000000000000000,  0.0025339400000000,  0.0026638100000000 ]  - [   0.0012554200000000, -0.0000223000000000,  0.0010040100000000 ]  - [  -0.0012554200000000, -0.0000223000000000,  0.0010040100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001228100000000 ]  - [   0.0001352500000000,  0.0000000000000000,  0.0001722900000000 ]  - [  -0.0001352500000000,  0.0000000000000000,  0.0001722900000000 ]  - [   0.0000000000000000,  0.0158486200000000, -0.0153924200000000 ]  - [   0.0004270200000000, -0.0000124100000000, -0.0010438200000000 ]  - [  -0.0004270200000000, -0.0000124100000000, -0.0010438200000000 ]  - [   0.0000000000000000, -0.0158486200000000, -0.0153924200000000 ]  - [   0.0004270200000000,  0.0000124100000000, -0.0010438200000000 ]  - [  -0.0004270200000000,  0.0000124100000000, -0.0010438200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003436300000000 ]  - [   0.0000771800000000,  0.0000000000000000, -0.0005496100000000 ]  - [  -0.0000771800000000,  0.0000000000000000, -0.0005496100000000 ]  - [  -0.0158486200000000,  0.0000000000000000, -0.0153924200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003436300000000 ]  - [   0.0158486200000000,  0.0000000000000000, -0.0153924200000000 ]  - [   0.0000124100000000,  0.0004270200000000, -0.0010438200000000 ]  - [   0.0000000000000000,  0.0000771800000000, -0.0005496100000000 ]  - [  -0.0000124100000000,  0.0004270200000000, -0.0010438200000000 ]  - [   0.0000124100000000, -0.0004270200000000, -0.0010438200000000 ]  - [   0.0000000000000000, -0.0000771800000000, -0.0005496100000000 ]  - [  -0.0000124100000000, -0.0004270200000000, -0.0010438200000000 ]  - [  -0.0003386300000000,  0.0000000000000000,  0.0017528400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005531500000000 ]  - [   0.0003386300000000,  0.0000000000000000,  0.0017528400000000 ]  - [   0.0001551700000000, -0.0021923800000000,  0.0013383400000000 ]  - [   0.0000000000000000, -0.0000999200000000,  0.0003804100000000 ]  - [  -0.0001551700000000, -0.0021923800000000,  0.0013383400000000 ]  - [   0.0001551700000000,  0.0021923800000000,  0.0013383400000000 ]  - [   0.0000000000000000,  0.0000999200000000,  0.0003804100000000 ]  - [  -0.0001551700000000,  0.0021923800000000,  0.0013383400000000 ]  - [   0.0000000000000000,  0.0003386300000000,  0.0017528400000000 ]  - [  -0.0021923800000000, -0.0001551700000000,  0.0013383400000000 ]  - [   0.0021923800000000, -0.0001551700000000,  0.0013383400000000 ]  - [   0.0000000000000000, -0.0003386300000000,  0.0017528400000000 ]  - [  -0.0021923800000000,  0.0001551700000000,  0.0013383400000000 ]  - [   0.0021923800000000,  0.0001551700000000,  0.0013383400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005531500000000 ]  - [  -0.0000999200000000,  0.0000000000000000,  0.0003804100000000 ]  - [   0.0000999200000000,  0.0000000000000000,  0.0003804100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1405678400000000 ]  - [  -0.0020771100000000,  0.0000000000000000,  0.0025884000000000 ]  - [   0.0020771100000000,  0.0000000000000000,  0.0025884000000000 ]  - [   0.0000000000000000, -0.0020771100000000,  0.0025884000000000 ]  - [  -0.0001993100000000, -0.0001993100000000,  0.0016869100000000 ]  - [   0.0001993100000000, -0.0001993100000000,  0.0016869100000000 ]  - [   0.0000000000000000,  0.0020771100000000,  0.0025884000000000 ]  - [  -0.0001993100000000,  0.0001993100000000,  0.0016869100000000 ]  - [   0.0001993100000000,  0.0001993100000000,  0.0016869100000000 ]  - [   0.0026344700000000, -0.0026344700000000, -0.0052700700000000 ]  - [   0.0000000000000000,  0.0000878300000000, -0.0006496800000000 ]  - [  -0.0026344700000000, -0.0026344700000000, -0.0052700700000000 ]  - [   0.0026344700000000,  0.0026344700000000, -0.0052700700000000 ]  - [   0.0000000000000000, -0.0000878300000000, -0.0006496800000000 ]  - [  -0.0026344700000000,  0.0026344700000000, -0.0052700700000000 ]  - [  -0.0000878300000000,  0.0000000000000000, -0.0006496800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007013400000000 ]  - [   0.0000878300000000,  0.0000000000000000, -0.0006496800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0121043400000000 ]  - [  -0.0007845200000000,  0.0000000000000000, -0.0021997800000000 ]  - [   0.0007845200000000,  0.0000000000000000, -0.0021997800000000 ]  - [   0.0000000000000000, -0.0007845200000000, -0.0021997800000000 ]  - [  -0.0000961300000000, -0.0000961300000000, -0.0010178400000000 ]  - [   0.0000961300000000, -0.0000961300000000, -0.0010178400000000 ]  - [   0.0000000000000000,  0.0007845200000000, -0.0021997800000000 ]  - [  -0.0000961300000000,  0.0000961300000000, -0.0010178400000000 ]  - [   0.0000961300000000,  0.0000961300000000, -0.0010178400000000 ]  - [  -0.0077907200000000,  0.0077907200000000, -0.0036475900000000 ]  - [   0.0000000000000000,  0.0002417200000000,  0.0000503900000000 ]  - [   0.0077907200000000,  0.0077907200000000, -0.0036475900000000 ]  - [  -0.0077907200000000, -0.0077907200000000, -0.0036475900000000 ]  - [   0.0000000000000000, -0.0002417200000000,  0.0000503900000000 ]  - [   0.0077907200000000, -0.0077907200000000, -0.0036475900000000 ]  - [  -0.0002417200000000,  0.0000000000000000,  0.0000503900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000222600000000 ]  - [   0.0002417200000000,  0.0000000000000000,  0.0000503900000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0039962600000000,  0.0000000000000000,  0.0001014900000000 ]  - [  -0.0018526900000000,  0.0000000000000000,  0.0021402400000000 ]  - [  -0.0018537100000000,  0.0000000000000000, -0.0018629200000000 ]  - [   0.0011307000000000,  0.0000028800000000,  0.0001279300000000 ]  - [  -0.0005610400000000, -0.0003671700000000,  0.0003762200000000 ]  - [  -0.0005637400000000,  0.0003658600000000, -0.0001068200000000 ]  - [   0.0011307000000000, -0.0000028800000000,  0.0001279300000000 ]  - [  -0.0005610400000000,  0.0003671700000000,  0.0003762200000000 ]  - [  -0.0005637400000000, -0.0003658600000000, -0.0001068200000000 ]  - [  -0.0018830800000000,  0.0054417700000000, -0.0041382800000000 ]  - [  -0.0016853800000000,  0.0000045900000000, -0.0001371600000000 ]  - [  -0.0019255500000000, -0.0054254200000000,  0.0038444000000000 ]  - [  -0.0018830800000000, -0.0054417700000000, -0.0041382800000000 ]  - [  -0.0016853800000000, -0.0000045900000000, -0.0001371600000000 ]  - [  -0.0019255500000000,  0.0054254200000000,  0.0038444000000000 ]  - [   0.0003535400000000,  0.0000000000000000, -0.0001138700000000 ]  - [  -0.0007066400000000,  0.0000000000000000, -0.0001328100000000 ]  - [   0.0003465400000000,  0.0000000000000000, -0.0001531300000000 ]  - [   0.0058805400000000,  0.0000000000000000, -0.0019847300000000 ]  - [  -0.0046249500000000,  0.0000000000000000,  0.0000087100000000 ]  - [   0.0051585600000000,  0.0000000000000000,  0.0015476700000000 ]  - [   0.0006943200000000, -0.0015119800000000, -0.0005525400000000 ]  - [  -0.0013572000000000, -0.0000015000000000, -0.0000003900000000 ]  - [   0.0006832500000000,  0.0015094600000000,  0.0005515000000000 ]  - [   0.0006943200000000,  0.0015119800000000, -0.0005525400000000 ]  - [  -0.0013572000000000,  0.0000015000000000, -0.0000003900000000 ]  - [   0.0006832500000000, -0.0015094600000000,  0.0005515000000000 ]  - [   0.0062850800000000, -0.0000192400000000, -0.0000099200000000 ]  - [  -0.0019887000000000,  0.0015929900000000,  0.0008948700000000 ]  - [  -0.0019913200000000, -0.0015826400000000, -0.0008861200000000 ]  - [   0.0062850800000000,  0.0000192400000000, -0.0000099200000000 ]  - [  -0.0019887000000000, -0.0015929900000000,  0.0008948700000000 ]  - [  -0.0019913200000000,  0.0015826400000000, -0.0008861200000000 ]  - [   0.0007133000000000,  0.0000000000000000, -0.0000053100000000 ]  - [  -0.0003492400000000,  0.0000000000000000,  0.0005312200000000 ]  - [  -0.0003517600000000,  0.0000000000000000, -0.0005289300000000 ]  - [   0.0015901400000000, -0.0000037700000000, -0.0002339300000000 ]  - [  -0.0007869500000000,  0.0004752800000000, -0.0000121600000000 ]  - [  -0.0007900800000000, -0.0004737000000000, -0.0004530200000000 ]  - [   0.0015901400000000,  0.0000037700000000, -0.0002339300000000 ]  - [  -0.0007869500000000, -0.0004752800000000, -0.0000121600000000 ]  - [  -0.0007900800000000,  0.0004737000000000, -0.0004530200000000 ]  - [   0.0003787700000000,  0.0000000000000000, -0.0002326200000000 ]  - [  -0.0001905300000000,  0.0000000000000000, -0.0004085700000000 ]  - [  -0.0001924500000000,  0.0000000000000000, -0.0000575400000000 ]  - [   0.0012951500000000,  0.0000000000000000,  0.0011245900000000 ]  - [  -0.0024782200000000,  0.0000000000000000, -0.0002311300000000 ]  - [   0.0012830100000000,  0.0000000000000000, -0.0015886900000000 ]  - [   0.0006725000000000, -0.0009043500000000,  0.0007158600000000 ]  - [  -0.0013370900000000, -0.0000005800000000, -0.0002320100000000 ]  - [   0.0006685200000000,  0.0009011100000000, -0.0011793600000000 ]  - [   0.0006725000000000,  0.0009043500000000,  0.0007158600000000 ]  - [  -0.0013370900000000,  0.0000005800000000, -0.0002320100000000 ]  - [   0.0006685200000000, -0.0009011100000000, -0.0011793600000000 ]  - [  -0.0012353000000000,  0.0000000000000000, -0.0048033900000000 ]  - [  -0.0024631200000000,  0.0000000000000000,  0.0002279200000000 ]  - [  -0.0013623800000000,  0.0000000000000000,  0.0053173600000000 ]  - [   0.0003467500000000, -0.0022997900000000,  0.0002842300000000 ]  - [  -0.0006296700000000, -0.0000003200000000,  0.0002328200000000 ]  - [   0.0003401400000000,  0.0022917400000000,  0.0001818700000000 ]  - [   0.0003467500000000,  0.0022997900000000,  0.0002842300000000 ]  - [  -0.0006296700000000,  0.0000003200000000,  0.0002328200000000 ]  - [   0.0003401400000000, -0.0022917400000000,  0.0001818700000000 ]  - [   0.0055967600000000, -0.0000275000000000,  0.0002579400000000 ]  - [  -0.0023574100000000,  0.0007829300000000, -0.0010479300000000 ]  - [  -0.0023635600000000, -0.0007773900000000,  0.0015040900000000 ]  - [   0.0055967600000000,  0.0000275000000000,  0.0002579400000000 ]  - [  -0.0023574100000000, -0.0007829300000000, -0.0010479300000000 ]  - [  -0.0023635600000000,  0.0007773900000000,  0.0015040900000000 ]  - [   0.0011173600000000,  0.0000000000000000,  0.0002372600000000 ]  - [  -0.0005548300000000,  0.0000000000000000, -0.0001896900000000 ]  - [  -0.0005603000000000,  0.0000000000000000,  0.0006550900000000 ]  - [  -0.0035034500000000,  0.0000000000000000,  0.0005795200000000 ]  - [   0.0017431600000000,  0.0000000000000000, -0.0002311900000000 ]  - [   0.0017498600000000,  0.0000000000000000,  0.0013555500000000 ]  - [  -0.0022967100000000, -0.0000015300000000,  0.0005667700000000 ]  - [   0.0011449600000000,  0.0006010400000000,  0.0004662000000000 ]  - [   0.0011476300000000, -0.0005996200000000,  0.0006621600000000 ]  - [  -0.0022967100000000,  0.0000015300000000,  0.0005667700000000 ]  - [   0.0011449600000000, -0.0006010400000000,  0.0004662000000000 ]  - [   0.0011476300000000,  0.0005996200000000,  0.0006621600000000 ]  - [  -0.0006190500000000, -0.0079612000000000,  0.0072641000000000 ]  - [   0.0038073400000000, -0.0000033100000000, -0.0005607000000000 ]  - [  -0.0005563000000000,  0.0079251900000000, -0.0083556900000000 ]  - [  -0.0006190500000000,  0.0079612000000000,  0.0072641000000000 ]  - [   0.0038073400000000,  0.0000033100000000, -0.0005607000000000 ]  - [  -0.0005563000000000, -0.0079251900000000, -0.0083556900000000 ]  - [  -0.0006919200000000,  0.0000000000000000, -0.0003288400000000 ]  - [   0.0013824000000000,  0.0000000000000000, -0.0005671300000000 ]  - [  -0.0006832500000000,  0.0000000000000000, -0.0008041100000000 ]  - [  -0.0397588500000000,  0.0000000000000000,  0.0005002500000000 ]  - [   0.0156590300000000,  0.0000000000000000,  0.0014275900000000 ]  - [   0.0155495700000000,  0.0000000000000000, -0.0012657400000000 ]  - [  -0.0048507500000000, -0.0000296200000000,  0.0000730100000000 ]  - [   0.0024182300000000,  0.0021503700000000, -0.0001040000000000 ]  - [   0.0024233400000000, -0.0021385300000000,  0.0002612800000000 ]  - [  -0.0048507500000000,  0.0000296200000000,  0.0000730100000000 ]  - [   0.0024182300000000, -0.0021503700000000, -0.0001040000000000 ]  - [   0.0024233400000000,  0.0021385300000000,  0.0002612800000000 ]  - [  -0.0005281400000000, -0.0101518400000000, -0.0076494900000000 ]  - [   0.0039939600000000, -0.0000049000000000, -0.0000832700000000 ]  - [  -0.0004675900000000,  0.0100948100000000,  0.0074623400000000 ]  - [  -0.0005281400000000,  0.0101518400000000, -0.0076494900000000 ]  - [   0.0039939600000000,  0.0000049000000000, -0.0000832700000000 ]  - [  -0.0004675900000000, -0.0100948100000000,  0.0074623400000000 ]  - [  -0.0008620800000000,  0.0000000000000000, -0.0003941300000000 ]  - [   0.0017098900000000,  0.0000000000000000, -0.0000799900000000 ]  - [  -0.0008498900000000,  0.0000000000000000,  0.0002403600000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0141733500000000 ]  - [   0.0010679300000000,  0.0000000000000000, -0.0011957700000000 ]  - [  -0.0010679300000000,  0.0000000000000000, -0.0011957700000000 ]  - [   0.0000000000000000,  0.0010679300000000, -0.0011957700000000 ]  - [   0.0003739300000000,  0.0003739300000000, -0.0003159200000000 ]  - [  -0.0003739300000000,  0.0003739300000000, -0.0003159200000000 ]  - [   0.0000000000000000, -0.0010679300000000, -0.0011957700000000 ]  - [   0.0003739300000000, -0.0003739300000000, -0.0003159200000000 ]  - [  -0.0003739300000000, -0.0003739300000000, -0.0003159200000000 ]  - [  -0.0018524200000000,  0.0018524200000000,  0.0029862100000000 ]  - [   0.0000000000000000, -0.0001535200000000,  0.0004261600000000 ]  - [   0.0018524200000000,  0.0018524200000000,  0.0029862100000000 ]  - [  -0.0018524200000000, -0.0018524200000000,  0.0029862100000000 ]  - [   0.0000000000000000,  0.0001535200000000,  0.0004261600000000 ]  - [   0.0018524200000000, -0.0018524200000000,  0.0029862100000000 ]  - [   0.0001535200000000,  0.0000000000000000,  0.0004261600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000018900000000 ]  - [  -0.0001535200000000,  0.0000000000000000,  0.0004261600000000 ]  - [  -0.0037787200000000,  0.0000000000000000,  0.0077290300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002056800000000 ]  - [   0.0037787200000000,  0.0000000000000000,  0.0077290300000000 ]  - [   0.0002164400000000,  0.0010577100000000,  0.0010832400000000 ]  - [   0.0000000000000000,  0.0001699500000000,  0.0002335800000000 ]  - [  -0.0002164400000000,  0.0010577100000000,  0.0010832400000000 ]  - [   0.0002164400000000, -0.0010577100000000,  0.0010832400000000 ]  - [   0.0000000000000000, -0.0001699500000000,  0.0002335800000000 ]  - [  -0.0002164400000000, -0.0010577100000000,  0.0010832400000000 ]  - [   0.0000000000000000,  0.0037787200000000,  0.0077290300000000 ]  - [   0.0010577100000000, -0.0002164400000000,  0.0010832400000000 ]  - [  -0.0010577100000000, -0.0002164400000000,  0.0010832400000000 ]  - [   0.0000000000000000, -0.0037787200000000,  0.0077290300000000 ]  - [   0.0010577100000000,  0.0002164400000000,  0.0010832400000000 ]  - [  -0.0010577100000000,  0.0002164400000000,  0.0010832400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002056800000000 ]  - [   0.0001699500000000,  0.0000000000000000,  0.0002335800000000 ]  - [  -0.0001699500000000,  0.0000000000000000,  0.0002335800000000 ]  - [   0.0000000000000000, -0.0009943600000000, -0.0024078700000000 ]  - [   0.0005414600000000,  0.0000246300000000, -0.0011958500000000 ]  - [  -0.0005414600000000,  0.0000246300000000, -0.0011958500000000 ]  - [   0.0000000000000000,  0.0009943600000000, -0.0024078700000000 ]  - [   0.0005414600000000, -0.0000246300000000, -0.0011958500000000 ]  - [  -0.0005414600000000, -0.0000246300000000, -0.0011958500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007069200000000 ]  - [   0.0000877500000000,  0.0000000000000000, -0.0005237200000000 ]  - [  -0.0000877500000000,  0.0000000000000000, -0.0005237200000000 ]  - [   0.0009943600000000,  0.0000000000000000, -0.0024078700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007069200000000 ]  - [  -0.0009943600000000,  0.0000000000000000, -0.0024078700000000 ]  - [  -0.0000246300000000,  0.0005414600000000, -0.0011958500000000 ]  - [   0.0000000000000000,  0.0000877500000000, -0.0005237200000000 ]  - [   0.0000246300000000,  0.0005414600000000, -0.0011958500000000 ]  - [  -0.0000246300000000, -0.0005414600000000, -0.0011958500000000 ]  - [   0.0000000000000000, -0.0000877500000000, -0.0005237200000000 ]  - [   0.0000246300000000, -0.0005414600000000, -0.0011958500000000 ]  - [  -0.0042292800000000,  0.0000000000000000, -0.0018760300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008609400000000 ]  - [   0.0042292800000000,  0.0000000000000000, -0.0018760300000000 ]  - [  -0.0000786300000000, -0.0017966900000000,  0.0009473500000000 ]  - [   0.0000000000000000, -0.0000808800000000,  0.0003305600000000 ]  - [   0.0000786300000000, -0.0017966900000000,  0.0009473500000000 ]  - [  -0.0000786300000000,  0.0017966900000000,  0.0009473500000000 ]  - [   0.0000000000000000,  0.0000808800000000,  0.0003305600000000 ]  - [   0.0000786300000000,  0.0017966900000000,  0.0009473500000000 ]  - [   0.0000000000000000,  0.0042292800000000, -0.0018760300000000 ]  - [  -0.0017966900000000,  0.0000786300000000,  0.0009473500000000 ]  - [   0.0017966900000000,  0.0000786300000000,  0.0009473500000000 ]  - [   0.0000000000000000, -0.0042292800000000, -0.0018760300000000 ]  - [  -0.0017966900000000, -0.0000786300000000,  0.0009473500000000 ]  - [   0.0017966900000000, -0.0000786300000000,  0.0009473500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008609400000000 ]  - [  -0.0000808800000000,  0.0000000000000000,  0.0003305600000000 ]  - [   0.0000808800000000,  0.0000000000000000,  0.0003305600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0127003100000000 ]  - [  -0.0008257300000000,  0.0000000000000000,  0.0028465400000000 ]  - [   0.0008257300000000,  0.0000000000000000,  0.0028465400000000 ]  - [   0.0000000000000000, -0.0008257300000000,  0.0028465400000000 ]  - [  -0.0002229200000000, -0.0002229200000000,  0.0016639300000000 ]  - [   0.0002229200000000, -0.0002229200000000,  0.0016639300000000 ]  - [   0.0000000000000000,  0.0008257300000000,  0.0028465400000000 ]  - [  -0.0002229200000000,  0.0002229200000000,  0.0016639300000000 ]  - [   0.0002229200000000,  0.0002229200000000,  0.0016639300000000 ]  - [   0.0079917200000000, -0.0079917200000000,  0.0029752800000000 ]  - [   0.0000000000000000,  0.0001531400000000, -0.0007021600000000 ]  - [  -0.0079917200000000, -0.0079917200000000,  0.0029752800000000 ]  - [   0.0079917200000000,  0.0079917200000000,  0.0029752800000000 ]  - [   0.0000000000000000, -0.0001531400000000, -0.0007021600000000 ]  - [  -0.0079917200000000,  0.0079917200000000,  0.0029752800000000 ]  - [  -0.0001531400000000,  0.0000000000000000, -0.0007021600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006274800000000 ]  - [   0.0001531400000000,  0.0000000000000000, -0.0007021600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0444180600000000 ]  - [  -0.0013658500000000,  0.0000000000000000, -0.0051860800000000 ]  - [   0.0013658500000000,  0.0000000000000000, -0.0051860800000000 ]  - [   0.0000000000000000, -0.0013658500000000, -0.0051860800000000 ]  - [   0.0001804400000000,  0.0001804400000000, -0.0011375900000000 ]  - [  -0.0001804400000000,  0.0001804400000000, -0.0011375900000000 ]  - [   0.0000000000000000,  0.0013658500000000, -0.0051860800000000 ]  - [   0.0001804400000000, -0.0001804400000000, -0.0011375900000000 ]  - [  -0.0001804400000000, -0.0001804400000000, -0.0011375900000000 ]  - [  -0.0075421300000000,  0.0075421300000000,  0.0039647000000000 ]  - [   0.0000000000000000,  0.0003188000000000, -0.0000057600000000 ]  - [   0.0075421300000000,  0.0075421300000000,  0.0039647000000000 ]  - [  -0.0075421300000000, -0.0075421300000000,  0.0039647000000000 ]  - [   0.0000000000000000, -0.0003188000000000, -0.0000057600000000 ]  - [   0.0075421300000000, -0.0075421300000000,  0.0039647000000000 ]  - [  -0.0003188000000000,  0.0000000000000000, -0.0000057600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000972200000000 ]  - [   0.0003188000000000,  0.0000000000000000, -0.0000057600000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0144897500000000 ]  - [  -0.0010627000000000,  0.0000000000000000,  0.0014401900000000 ]  - [   0.0010627000000000,  0.0000000000000000,  0.0014401900000000 ]  - [   0.0000000000000000, -0.0010627000000000,  0.0014401900000000 ]  - [  -0.0003737800000000, -0.0003737800000000,  0.0005767100000000 ]  - [   0.0003737800000000, -0.0003737800000000,  0.0005767100000000 ]  - [   0.0000000000000000,  0.0010627000000000,  0.0014401900000000 ]  - [  -0.0003737800000000,  0.0003737800000000,  0.0005767100000000 ]  - [   0.0003737800000000,  0.0003737800000000,  0.0005767100000000 ]  - [   0.0018730400000000, -0.0018730400000000, -0.0032000800000000 ]  - [   0.0000000000000000,  0.0001519300000000, -0.0006862800000000 ]  - [  -0.0018730400000000, -0.0018730400000000, -0.0032000800000000 ]  - [   0.0018730400000000,  0.0018730400000000, -0.0032000800000000 ]  - [   0.0000000000000000, -0.0001519300000000, -0.0006862800000000 ]  - [  -0.0018730400000000,  0.0018730400000000, -0.0032000800000000 ]  - [  -0.0001519300000000,  0.0000000000000000, -0.0006862800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002561800000000 ]  - [   0.0001519300000000,  0.0000000000000000, -0.0006862800000000 ]  - [   0.0041504900000000,  0.0000000000000000, -0.0079132900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002093800000000 ]  - [  -0.0041504900000000,  0.0000000000000000, -0.0079132900000000 ]  - [  -0.0002121400000000, -0.0010559700000000, -0.0010857000000000 ]  - [   0.0000000000000000, -0.0001694300000000, -0.0002343800000000 ]  - [   0.0002121400000000, -0.0010559700000000, -0.0010857000000000 ]  - [  -0.0002121400000000,  0.0010559700000000, -0.0010857000000000 ]  - [   0.0000000000000000,  0.0001694300000000, -0.0002343800000000 ]  - [   0.0002121400000000,  0.0010559700000000, -0.0010857000000000 ]  - [   0.0000000000000000, -0.0041504900000000, -0.0079132900000000 ]  - [  -0.0010559700000000,  0.0002121400000000, -0.0010857000000000 ]  - [   0.0010559700000000,  0.0002121400000000, -0.0010857000000000 ]  - [   0.0000000000000000,  0.0041504900000000, -0.0079132900000000 ]  - [  -0.0010559700000000, -0.0002121400000000, -0.0010857000000000 ]  - [   0.0010559700000000, -0.0002121400000000, -0.0010857000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002093800000000 ]  - [  -0.0001694300000000,  0.0000000000000000, -0.0002343800000000 ]  - [   0.0001694300000000,  0.0000000000000000, -0.0002343800000000 ]  - [   0.0000000000000000,  0.0010245800000000,  0.0019378200000000 ]  - [  -0.0005406700000000, -0.0000215900000000,  0.0007227100000000 ]  - [   0.0005406700000000, -0.0000215900000000,  0.0007227100000000 ]  - [   0.0000000000000000, -0.0010245800000000,  0.0019378200000000 ]  - [  -0.0005406700000000,  0.0000215900000000,  0.0007227100000000 ]  - [   0.0005406700000000,  0.0000215900000000,  0.0007227100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002309900000000 ]  - [  -0.0000874200000000,  0.0000000000000000,  0.0000528700000000 ]  - [   0.0000874200000000,  0.0000000000000000,  0.0000528700000000 ]  - [  -0.0010245800000000,  0.0000000000000000,  0.0019378200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002309900000000 ]  - [   0.0010245800000000,  0.0000000000000000,  0.0019378200000000 ]  - [   0.0000215900000000, -0.0005406700000000,  0.0007227100000000 ]  - [   0.0000000000000000, -0.0000874200000000,  0.0000528700000000 ]  - [  -0.0000215900000000, -0.0005406700000000,  0.0007227100000000 ]  - [   0.0000215900000000,  0.0005406700000000,  0.0007227100000000 ]  - [   0.0000000000000000,  0.0000874200000000,  0.0000528700000000 ]  - [  -0.0000215900000000,  0.0005406700000000,  0.0007227100000000 ]  - [   0.0042587300000000,  0.0000000000000000,  0.0023996500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003853300000000 ]  - [  -0.0042587300000000,  0.0000000000000000,  0.0023996500000000 ]  - [   0.0000788100000000,  0.0017876500000000, -0.0004677100000000 ]  - [   0.0000000000000000,  0.0000818100000000,  0.0001412800000000 ]  - [  -0.0000788100000000,  0.0017876500000000, -0.0004677100000000 ]  - [   0.0000788100000000, -0.0017876500000000, -0.0004677100000000 ]  - [   0.0000000000000000, -0.0000818100000000,  0.0001412800000000 ]  - [  -0.0000788100000000, -0.0017876500000000, -0.0004677100000000 ]  - [   0.0000000000000000, -0.0042587300000000,  0.0023996500000000 ]  - [   0.0017876500000000, -0.0000788100000000, -0.0004677100000000 ]  - [  -0.0017876500000000, -0.0000788100000000, -0.0004677100000000 ]  - [   0.0000000000000000,  0.0042587300000000,  0.0023996500000000 ]  - [   0.0017876500000000,  0.0000788100000000, -0.0004677100000000 ]  - [  -0.0017876500000000,  0.0000788100000000, -0.0004677100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003853300000000 ]  - [   0.0000818100000000,  0.0000000000000000,  0.0001412800000000 ]  - [  -0.0000818100000000,  0.0000000000000000,  0.0001412800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0116536000000000 ]  - [   0.0008386800000000,  0.0000000000000000, -0.0017026100000000 ]  - [  -0.0008386800000000,  0.0000000000000000, -0.0017026100000000 ]  - [   0.0000000000000000,  0.0008386800000000, -0.0017026100000000 ]  - [   0.0002232200000000,  0.0002232200000000, -0.0005305700000000 ]  - [  -0.0002232200000000,  0.0002232200000000, -0.0005305700000000 ]  - [   0.0000000000000000, -0.0008386800000000, -0.0017026100000000 ]  - [   0.0002232200000000, -0.0002232200000000, -0.0005305700000000 ]  - [  -0.0002232200000000, -0.0002232200000000, -0.0005305700000000 ]  - [  -0.0079285100000000,  0.0079285100000000, -0.0041283700000000 ]  - [   0.0000000000000000, -0.0001512700000000, -0.0004309600000000 ]  - [   0.0079285100000000,  0.0079285100000000, -0.0041283700000000 ]  - [  -0.0079285100000000, -0.0079285100000000, -0.0041283700000000 ]  - [   0.0000000000000000,  0.0001512700000000, -0.0004309600000000 ]  - [   0.0079285100000000, -0.0079285100000000, -0.0041283700000000 ]  - [   0.0001512700000000,  0.0000000000000000, -0.0004309600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005089300000000 ]  - [  -0.0001512700000000,  0.0000000000000000, -0.0004309600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0449462700000000 ]  - [   0.0013295500000000,  0.0000000000000000,  0.0053239600000000 ]  - [  -0.0013295500000000,  0.0000000000000000,  0.0053239600000000 ]  - [   0.0000000000000000,  0.0013295500000000,  0.0053239600000000 ]  - [  -0.0001855800000000, -0.0001855800000000,  0.0012958600000000 ]  - [   0.0001855800000000, -0.0001855800000000,  0.0012958600000000 ]  - [   0.0000000000000000, -0.0013295500000000,  0.0053239600000000 ]  - [  -0.0001855800000000,  0.0001855800000000,  0.0012958600000000 ]  - [   0.0001855800000000,  0.0001855800000000,  0.0012958600000000 ]  - [   0.0075690400000000, -0.0075690400000000, -0.0040881000000000 ]  - [   0.0000000000000000, -0.0003162700000000, -0.0001501400000000 ]  - [  -0.0075690400000000, -0.0075690400000000, -0.0040881000000000 ]  - [   0.0075690400000000,  0.0075690400000000, -0.0040881000000000 ]  - [   0.0000000000000000,  0.0003162700000000, -0.0001501400000000 ]  - [  -0.0075690400000000,  0.0075690400000000, -0.0040881000000000 ]  - [   0.0003162700000000,  0.0000000000000000, -0.0001501400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000585100000000 ]  - [  -0.0003162700000000,  0.0000000000000000, -0.0001501400000000 ]