# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/720177b8-c65a-46af-adc4-65b3b45dfec1/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 K2MgH4 / I4/mmm (139) / materials id 23956](https://mdr.nims.go.jp/datasets/8eb6fea5-6a50-43c0-8829-1693e5cd32df)

## 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: "I4/mmm"  number: 139  Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -2.002262740000000,     2.002262740000000,     6.743316675000000 ] # a  - [     2.002262740000000,    -2.002262740000000,     6.743316675000000 ] # b  - [     2.002262740000000,     2.002262740000000,    -6.743316675000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 1.007940  - symbol: H  # 2    coordinates: [  0.500000000000000,  1.000000000000000,  0.500000000000000 ]    mass: 1.007940  - symbol: H  # 3    coordinates: [  0.851525090000000,  0.851525090000000,  0.000000000000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.148474910000000,  0.148474910000000,  0.000000000000000 ]    mass: 1.007940  - symbol: Mg # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: K  # 6    coordinates: [  0.644164060000000,  0.644164060000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.355835940000000,  0.355835940000000,  0.000000000000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.249717477137891,     0.074147489150804 ] # a*  - [     0.249717477137891,     0.000000000000000,     0.074147489150804 ] # b*  - [     0.249717477137891,     0.249717477137891,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.004525480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.004525480000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.486633350000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.351525090000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.148474910000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.851525090000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.648474910000000 ]    mass: 1.007940    reduced_to: 4  - symbol: Mg # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.144164060000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.355835940000000 ]    mass: 39.098300    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.644164060000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.855835940000000 ]    mass: 39.098300    reduced_to: 12supercell:  lattice:  - [    12.013576440000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.013576440000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.486633350000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.166666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 3    coordinates: [  0.833333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 4    coordinates: [  0.166666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 5    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 6    coordinates: [  0.833333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 7    coordinates: [  0.166666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 8    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 9    coordinates: [  0.833333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 10    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 12    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 14    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 15    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 16    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 17    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 18    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 19    coordinates: [  0.166666666666667,  0.166666666666667,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.500000000000000,  0.166666666666667,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 21    coordinates: [  0.833333333333333,  0.166666666666667,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 22    coordinates: [  0.166666666666667,  0.500000000000000,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 24    coordinates: [  0.833333333333333,  0.500000000000000,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 25    coordinates: [  0.166666666666667,  0.833333333333333,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 26    coordinates: [  0.500000000000000,  0.833333333333333,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 27    coordinates: [  0.833333333333333,  0.833333333333333,  0.351525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.148474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 37    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 38    coordinates: [  0.333333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 39    coordinates: [  0.666666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 41    coordinates: [  0.333333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 42    coordinates: [  0.666666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 43    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 44    coordinates: [  0.333333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 45    coordinates: [  0.666666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 46    coordinates: [  0.166666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 48    coordinates: [  0.833333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 49    coordinates: [  0.166666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 50    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 51    coordinates: [  0.833333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 52    coordinates: [  0.166666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 53    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 54    coordinates: [  0.833333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.851525090000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 64    coordinates: [  0.166666666666667,  0.166666666666667,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 65    coordinates: [  0.500000000000000,  0.166666666666667,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 66    coordinates: [  0.833333333333333,  0.166666666666667,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 67    coordinates: [  0.166666666666667,  0.500000000000000,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 69    coordinates: [  0.833333333333333,  0.500000000000000,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 70    coordinates: [  0.166666666666667,  0.833333333333333,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 71    coordinates: [  0.500000000000000,  0.833333333333333,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 72    coordinates: [  0.833333333333333,  0.833333333333333,  0.648474910000000 ]    mass: 1.007940    reduced_to: 28  - symbol: Mg # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 82    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 83    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 84    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 85    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 86    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 87    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 88    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 89    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 90    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: K  # 91    coordinates: [  0.166666666666667,  0.166666666666667,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 92    coordinates: [  0.500000000000000,  0.166666666666667,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 93    coordinates: [  0.833333333333333,  0.166666666666667,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 94    coordinates: [  0.166666666666667,  0.500000000000000,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 96    coordinates: [  0.833333333333333,  0.500000000000000,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 97    coordinates: [  0.166666666666667,  0.833333333333333,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 98    coordinates: [  0.500000000000000,  0.833333333333333,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 99    coordinates: [  0.833333333333333,  0.833333333333333,  0.144164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.355835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 110    coordinates: [  0.333333333333333,  0.000000000000000,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 111    coordinates: [  0.666666666666667,  0.000000000000000,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 112    coordinates: [  0.000000000000000,  0.333333333333333,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 113    coordinates: [  0.333333333333333,  0.333333333333333,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 114    coordinates: [  0.666666666666667,  0.333333333333333,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 115    coordinates: [  0.000000000000000,  0.666666666666667,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 116    coordinates: [  0.333333333333333,  0.666666666666667,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 117    coordinates: [  0.666666666666667,  0.666666666666667,  0.644164060000000 ]    mass: 39.098300    reduced_to: 91  - symbol: K  # 118    coordinates: [  0.166666666666667,  0.166666666666667,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 119    coordinates: [  0.500000000000000,  0.166666666666667,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 120    coordinates: [  0.833333333333333,  0.166666666666667,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 121    coordinates: [  0.166666666666667,  0.500000000000000,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 122    coordinates: [  0.500000000000000,  0.500000000000000,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 123    coordinates: [  0.833333333333333,  0.500000000000000,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 124    coordinates: [  0.166666666666667,  0.833333333333333,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 125    coordinates: [  0.500000000000000,  0.833333333333333,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100  - symbol: K  # 126    coordinates: [  0.833333333333333,  0.833333333333333,  0.855835940000000 ]    mass: 39.098300    reduced_to: 100born_effective_charge:- # 1 (H)  - [ -1.230521330000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.808271170000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -0.694638010000000 ]- # 2 (H)  - [ -0.808271170000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -1.230521330000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -0.694638010000000 ]- # 3 (H)  - [ -0.874341930000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.874341930000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.065297480000000 ]- # 4 (H)  - [ -0.874341930000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.874341930000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.065297480000000 ]- # 5 (Mg)  - [  1.839064350000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.839064350000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.562444170000000 ]- # 6 (K)  - [  0.974206010000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.974206010000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  0.978713400000000 ]- # 7 (K)  - [  0.974206010000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.974206010000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  0.978713400000000 ]dielectric_constant:  - [  3.335548780000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.335548780000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.241142560000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0513177700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013204300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013251600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007744700000000, -0.0000006600000000,  0.0000000000000000 ]  - [   0.0004633700000000,  0.0003499400000000,  0.0000000000000000 ]  - [   0.0004630800000000, -0.0003491900000000,  0.0000000000000000 ]  - [  -0.0007744700000000,  0.0000006600000000,  0.0000000000000000 ]  - [   0.0004633700000000, -0.0003499400000000,  0.0000000000000000 ]  - [   0.0004630800000000,  0.0003491900000000,  0.0000000000000000 ]  - [   0.0015837600000000, -0.0029783100000000,  0.0000000000000000 ]  - [   0.0015863600000000,  0.0029955200000000,  0.0000000000000000 ]  - [   0.0005137400000000, -0.0000002300000000,  0.0000000000000000 ]  - [  -0.0001548600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001553500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003210400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015837600000000,  0.0029783100000000,  0.0000000000000000 ]  - [   0.0015863600000000, -0.0029955200000000,  0.0000000000000000 ]  - [   0.0005137400000000,  0.0000002300000000,  0.0000000000000000 ]  - [  -0.0002673900000000,  0.0000002200000000,  0.0006576500000000 ]  - [   0.0001442800000000,  0.0000982800000000,  0.0008710000000000 ]  - [   0.0001443200000000, -0.0000979100000000,  0.0004462700000000 ]  - [  -0.0001235900000000,  0.0000000000000000,  0.0006584500000000 ]  - [   0.0000598700000000,  0.0000000000000000,  0.0007121400000000 ]  - [   0.0000599900000000,  0.0000000000000000,  0.0006047500000000 ]  - [  -0.0002673900000000, -0.0000002200000000,  0.0006576500000000 ]  - [   0.0001442800000000, -0.0000982800000000,  0.0008710000000000 ]  - [   0.0001443200000000,  0.0000979100000000,  0.0004462700000000 ]  - [   0.0020802700000000,  0.0000000000000000, -0.0039015900000000 ]  - [   0.0020819700000000,  0.0000000000000000,  0.0026049500000000 ]  - [   0.0006098800000000,  0.0000000000000000, -0.0006588900000000 ]  - [  -0.0001775700000000, -0.0003719000000000, -0.0009374900000000 ]  - [  -0.0001787400000000,  0.0003722100000000, -0.0003785800000000 ]  - [   0.0003120300000000,  0.0000000500000000, -0.0006584800000000 ]  - [  -0.0001775700000000,  0.0003719000000000, -0.0009374900000000 ]  - [  -0.0001787400000000, -0.0003722100000000, -0.0003785800000000 ]  - [   0.0003120300000000, -0.0000000500000000, -0.0006584800000000 ]  - [  -0.0001187700000000, -0.0000564700000000,  0.0000000000000000 ]  - [  -0.0001193000000000,  0.0000567000000000,  0.0000000000000000 ]  - [   0.0002488800000000,  0.0000000700000000,  0.0000000000000000 ]  - [  -0.0000693400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000695500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001405900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001187700000000,  0.0000564700000000,  0.0000000000000000 ]  - [  -0.0001193000000000, -0.0000567000000000,  0.0000000000000000 ]  - [   0.0002488800000000, -0.0000000700000000,  0.0000000000000000 ]  - [  -0.0002468200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001017400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001017800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000934900000000, -0.0000000400000000,  0.0000000000000000 ]  - [   0.0000513200000000,  0.0000674000000000,  0.0000000000000000 ]  - [   0.0000514400000000, -0.0000670700000000,  0.0000000000000000 ]  - [  -0.0000934900000000,  0.0000000400000000,  0.0000000000000000 ]  - [   0.0000513200000000, -0.0000674000000000,  0.0000000000000000 ]  - [   0.0000514400000000,  0.0000670700000000,  0.0000000000000000 ]  - [   0.0020802700000000,  0.0000000000000000,  0.0039015900000000 ]  - [   0.0020819700000000,  0.0000000000000000, -0.0026049500000000 ]  - [   0.0006098800000000,  0.0000000000000000,  0.0006588900000000 ]  - [  -0.0001775700000000, -0.0003719000000000,  0.0009374900000000 ]  - [  -0.0001787400000000,  0.0003722100000000,  0.0003785800000000 ]  - [   0.0003120300000000,  0.0000000500000000,  0.0006584800000000 ]  - [  -0.0001775700000000,  0.0003719000000000,  0.0009374900000000 ]  - [  -0.0001787400000000, -0.0003722100000000,  0.0003785800000000 ]  - [   0.0003120300000000, -0.0000000500000000,  0.0006584800000000 ]  - [  -0.0002673900000000,  0.0000002200000000, -0.0006576500000000 ]  - [   0.0001442800000000,  0.0000982800000000, -0.0008710000000000 ]  - [   0.0001443200000000, -0.0000979100000000, -0.0004462700000000 ]  - [  -0.0001235900000000,  0.0000000000000000, -0.0006584500000000 ]  - [   0.0000598700000000,  0.0000000000000000, -0.0007121400000000 ]  - [   0.0000599900000000,  0.0000000000000000, -0.0006047500000000 ]  - [  -0.0002673900000000, -0.0000002200000000, -0.0006576500000000 ]  - [   0.0001442800000000, -0.0000982800000000, -0.0008710000000000 ]  - [   0.0001443200000000,  0.0000979100000000, -0.0004462700000000 ]  - [   0.0130049000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0140563200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016806600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004656200000000,  0.0015800100000000,  0.0000000000000000 ]  - [   0.0004681400000000, -0.0015817700000000,  0.0000000000000000 ]  - [  -0.0007487400000000,  0.0000001300000000,  0.0000000000000000 ]  - [   0.0004656200000000, -0.0015800100000000,  0.0000000000000000 ]  - [   0.0004681400000000,  0.0015817700000000,  0.0000000000000000 ]  - [  -0.0007487400000000, -0.0000001300000000,  0.0000000000000000 ]  - [   0.0002531200000000,  0.0000000900000000,  0.0000000000000000 ]  - [  -0.0001277300000000, -0.0000575800000000,  0.0000000000000000 ]  - [  -0.0001282000000000,  0.0000574500000000,  0.0000000000000000 ]  - [   0.0001267000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000623900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000627900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002531200000000, -0.0000000900000000,  0.0000000000000000 ]  - [  -0.0001277300000000,  0.0000575800000000,  0.0000000000000000 ]  - [  -0.0001282000000000, -0.0000574500000000,  0.0000000000000000 ]  - [   0.0023990400000000, -0.0000042900000000, -0.0005261600000000 ]  - [  -0.0004907500000000, -0.0003124700000000, -0.0007291600000000 ]  - [  -0.0004918300000000,  0.0003131500000000, -0.0003132400000000 ]  - [   0.0002942700000000,  0.0000000000000000, -0.0005214800000000 ]  - [  -0.0001434300000000,  0.0000000000000000, -0.0005836700000000 ]  - [  -0.0001436300000000,  0.0000000000000000, -0.0004594600000000 ]  - [   0.0023990400000000,  0.0000042900000000, -0.0005261600000000 ]  - [  -0.0004907500000000,  0.0003124700000000, -0.0007291600000000 ]  - [  -0.0004918300000000, -0.0003131500000000, -0.0003132400000000 ]  - [   0.0001914500000000,  0.0000000000000000,  0.0009463300000000 ]  - [   0.0001923800000000,  0.0000000000000000,  0.0000974400000000 ]  - [  -0.0003208200000000,  0.0000000000000000,  0.0005215900000000 ]  - [   0.0000815800000000,  0.0000752100000000,  0.0006277300000000 ]  - [   0.0000820900000000, -0.0000750400000000,  0.0004157500000000 ]  - [  -0.0001652100000000, -0.0000000400000000,  0.0005215800000000 ]  - [   0.0000815800000000, -0.0000752100000000,  0.0006277300000000 ]  - [   0.0000820900000000,  0.0000750400000000,  0.0004157500000000 ]  - [  -0.0001652100000000,  0.0000000400000000,  0.0005215800000000 ]  - [   0.0001914500000000,  0.0000000000000000, -0.0009463300000000 ]  - [   0.0001923800000000,  0.0000000000000000, -0.0000974400000000 ]  - [  -0.0003208200000000,  0.0000000000000000, -0.0005215900000000 ]  - [   0.0000815800000000,  0.0000752100000000, -0.0006277300000000 ]  - [   0.0000820900000000, -0.0000750400000000, -0.0004157500000000 ]  - [  -0.0001652100000000, -0.0000000400000000, -0.0005215800000000 ]  - [   0.0000815800000000, -0.0000752100000000, -0.0006277300000000 ]  - [   0.0000820900000000,  0.0000750400000000, -0.0004157500000000 ]  - [  -0.0001652100000000,  0.0000000400000000, -0.0005215800000000 ]  - [   0.0023990400000000, -0.0000042900000000,  0.0005261600000000 ]  - [  -0.0004907500000000, -0.0003124700000000,  0.0007291600000000 ]  - [  -0.0004918300000000,  0.0003131500000000,  0.0003132400000000 ]  - [   0.0002942700000000,  0.0000000000000000,  0.0005214800000000 ]  - [  -0.0001434300000000,  0.0000000000000000,  0.0005836700000000 ]  - [  -0.0001436300000000,  0.0000000000000000,  0.0004594600000000 ]  - [   0.0023990400000000,  0.0000042900000000,  0.0005261600000000 ]  - [  -0.0004907500000000,  0.0003124700000000,  0.0007291600000000 ]  - [  -0.0004918300000000, -0.0003131500000000,  0.0003132400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0171593800000000,  0.0000000000000000 ]  - [  -0.0000008100000000, -0.0005341800000000,  0.0000000000000000 ]  - [   0.0000008100000000, -0.0005341800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005929100000000,  0.0000000000000000 ]  - [   0.0003505500000000,  0.0003348700000000,  0.0000000000000000 ]  - [  -0.0003505500000000,  0.0003348700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005928000000000,  0.0000000000000000 ]  - [  -0.0003486000000000,  0.0003340900000000,  0.0000000000000000 ]  - [   0.0003486000000000,  0.0003340900000000,  0.0000000000000000 ]  - [  -0.0022270200000000,  0.0015880900000000,  0.0000000000000000 ]  - [   0.0022270200000000,  0.0015880900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001555900000000,  0.0000000000000000 ]  - [  -0.0000001400000000,  0.0005138000000000,  0.0000000000000000 ]  - [   0.0000001400000000,  0.0005138000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003211200000000,  0.0000000000000000 ]  - [   0.0022138200000000,  0.0015821000000000,  0.0000000000000000 ]  - [  -0.0022138200000000,  0.0015821000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001546000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000915400000000,  0.0009651500000000 ]  - [   0.0000167100000000, -0.0000400900000000,  0.0007215500000000 ]  - [  -0.0000167100000000, -0.0000400900000000,  0.0007215500000000 ]  - [   0.0000000000000000,  0.0001376800000000,  0.0006588200000000 ]  - [   0.0000000800000000,  0.0000763600000000,  0.0006586500000000 ]  - [  -0.0000000800000000,  0.0000763600000000,  0.0006586500000000 ]  - [   0.0000000000000000, -0.0000903300000000,  0.0003529500000000 ]  - [  -0.0000169400000000, -0.0000395500000000,  0.0005952100000000 ]  - [   0.0000169400000000, -0.0000395500000000,  0.0005952100000000 ]  - [   0.0000067900000000, -0.0008819800000000, -0.0006663200000000 ]  - [  -0.0000067900000000, -0.0008819800000000, -0.0006663200000000 ]  - [   0.0000000000000000, -0.0001436300000000, -0.0006584700000000 ]  - [  -0.0001370000000000,  0.0003853300000000, -0.0004367100000000 ]  - [   0.0001370000000000,  0.0003853300000000, -0.0004367100000000 ]  - [   0.0000000000000000,  0.0000660900000000, -0.0006021200000000 ]  - [   0.0001365900000000,  0.0003855800000000, -0.0008795800000000 ]  - [  -0.0001365900000000,  0.0003855800000000, -0.0008795800000000 ]  - [   0.0000000000000000,  0.0000666400000000, -0.0007142900000000 ]  - [  -0.0000567800000000, -0.0000316700000000,  0.0000000000000000 ]  - [   0.0000567800000000, -0.0000316700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000188200000000,  0.0000000000000000 ]  - [  -0.0000000700000000,  0.0000684100000000,  0.0000000000000000 ]  - [   0.0000000700000000,  0.0000684100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000457100000000,  0.0000000000000000 ]  - [   0.0000563500000000, -0.0000313600000000,  0.0000000000000000 ]  - [  -0.0000563500000000, -0.0000313600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000186000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0002468000000000,  0.0000000000000000 ]  - [  -0.0000000500000000, -0.0000934800000000,  0.0000000000000000 ]  - [   0.0000000500000000, -0.0000934800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001016400000000,  0.0000000000000000 ]  - [   0.0000203800000000,  0.0000512600000000,  0.0000000000000000 ]  - [  -0.0000203800000000,  0.0000512600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001019100000000,  0.0000000000000000 ]  - [  -0.0000202500000000,  0.0000515900000000,  0.0000000000000000 ]  - [   0.0000202500000000,  0.0000515900000000,  0.0000000000000000 ]  - [   0.0000067900000000, -0.0008819800000000,  0.0006663200000000 ]  - [  -0.0000067900000000, -0.0008819800000000,  0.0006663200000000 ]  - [   0.0000000000000000, -0.0001436300000000,  0.0006584700000000 ]  - [  -0.0001370000000000,  0.0003853300000000,  0.0004367100000000 ]  - [   0.0001370000000000,  0.0003853300000000,  0.0004367100000000 ]  - [   0.0000000000000000,  0.0000660900000000,  0.0006021200000000 ]  - [   0.0001365900000000,  0.0003855800000000,  0.0008795800000000 ]  - [  -0.0001365900000000,  0.0003855800000000,  0.0008795800000000 ]  - [   0.0000000000000000,  0.0000666400000000,  0.0007142900000000 ]  - [   0.0000000000000000, -0.0000915400000000, -0.0009651500000000 ]  - [   0.0000167100000000, -0.0000400900000000, -0.0007215500000000 ]  - [  -0.0000167100000000, -0.0000400900000000, -0.0007215500000000 ]  - [   0.0000000000000000,  0.0001376800000000, -0.0006588200000000 ]  - [   0.0000000800000000,  0.0000763600000000, -0.0006586500000000 ]  - [  -0.0000000800000000,  0.0000763600000000, -0.0006586500000000 ]  - [   0.0000000000000000, -0.0000903300000000, -0.0003529500000000 ]  - [  -0.0000169400000000, -0.0000395500000000, -0.0005952100000000 ]  - [   0.0000169400000000, -0.0000395500000000, -0.0005952100000000 ]  - [   0.0000361800000000,  0.0053157300000000,  0.0000000000000000 ]  - [  -0.0000361800000000,  0.0053157300000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002096800000000,  0.0000000000000000 ]  - [   0.0002012700000000, -0.0014262500000000,  0.0000000000000000 ]  - [  -0.0002012700000000, -0.0014262500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001001800000000,  0.0000000000000000 ]  - [  -0.0002012100000000, -0.0014255200000000,  0.0000000000000000 ]  - [   0.0002012100000000, -0.0014255200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001013700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000796500000000,  0.0000000000000000 ]  - [  -0.0000386700000000,  0.0000464900000000,  0.0000000000000000 ]  - [   0.0000386700000000,  0.0000464900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001584200000000,  0.0000000000000000 ]  - [  -0.0000000600000000, -0.0000913200000000,  0.0000000000000000 ]  - [   0.0000000600000000, -0.0000913200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000791100000000,  0.0000000000000000 ]  - [   0.0000387400000000,  0.0000459600000000,  0.0000000000000000 ]  - [  -0.0000387400000000,  0.0000459600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011506500000000, -0.0007486700000000 ]  - [  -0.0001767800000000,  0.0001667700000000, -0.0006957900000000 ]  - [   0.0001767800000000,  0.0001667700000000, -0.0006957900000000 ]  - [   0.0000000000000000, -0.0004434900000000, -0.0005217300000000 ]  - [  -0.0000001100000000, -0.0002247700000000, -0.0005218100000000 ]  - [   0.0000001100000000, -0.0002247700000000, -0.0005218100000000 ]  - [   0.0000000000000000,  0.0010915700000000, -0.0002379900000000 ]  - [   0.0001773700000000,  0.0001645500000000, -0.0003483600000000 ]  - [  -0.0001773700000000,  0.0001645500000000, -0.0003483600000000 ]  - [   0.0000002500000000,  0.0001727900000000,  0.0005223300000000 ]  - [  -0.0000002500000000,  0.0001727900000000,  0.0005223300000000 ]  - [   0.0000000000000000,  0.0000794300000000,  0.0005217700000000 ]  - [   0.0000634100000000, -0.0000936700000000,  0.0004048400000000 ]  - [  -0.0000634100000000, -0.0000936700000000,  0.0004048400000000 ]  - [   0.0000000000000000, -0.0000406100000000,  0.0004840100000000 ]  - [  -0.0000629000000000, -0.0000940500000000,  0.0006378300000000 ]  - [   0.0000629000000000, -0.0000940500000000,  0.0006378300000000 ]  - [   0.0000000000000000, -0.0000410100000000,  0.0005589100000000 ]  - [   0.0000002500000000,  0.0001727900000000, -0.0005223300000000 ]  - [  -0.0000002500000000,  0.0001727900000000, -0.0005223300000000 ]  - [   0.0000000000000000,  0.0000794300000000, -0.0005217700000000 ]  - [   0.0000634100000000, -0.0000936700000000, -0.0004048400000000 ]  - [  -0.0000634100000000, -0.0000936700000000, -0.0004048400000000 ]  - [   0.0000000000000000, -0.0000406100000000, -0.0004840100000000 ]  - [  -0.0000629000000000, -0.0000940500000000, -0.0006378300000000 ]  - [   0.0000629000000000, -0.0000940500000000, -0.0006378300000000 ]  - [   0.0000000000000000, -0.0000410100000000, -0.0005589100000000 ]  - [   0.0000000000000000,  0.0011506500000000,  0.0007486700000000 ]  - [  -0.0001767800000000,  0.0001667700000000,  0.0006957900000000 ]  - [   0.0001767800000000,  0.0001667700000000,  0.0006957900000000 ]  - [   0.0000000000000000, -0.0004434900000000,  0.0005217300000000 ]  - [  -0.0000001100000000, -0.0002247700000000,  0.0005218100000000 ]  - [   0.0000001100000000, -0.0002247700000000,  0.0005218100000000 ]  - [   0.0000000000000000,  0.0010915700000000,  0.0002379900000000 ]  - [   0.0001773700000000,  0.0001645500000000,  0.0003483600000000 ]  - [  -0.0001773700000000,  0.0001645500000000,  0.0003483600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0181452300000000 ]  - [  -0.0000006000000000,  0.0000000000000000, -0.0006341200000000 ]  - [   0.0000006000000000,  0.0000000000000000, -0.0006341200000000 ]  - [   0.0000000000000000, -0.0000004500000000, -0.0003067900000000 ]  - [  -0.0000006200000000, -0.0000004100000000, -0.0001542300000000 ]  - [   0.0000006200000000, -0.0000004100000000, -0.0001542300000000 ]  - [   0.0000000000000000,  0.0000004500000000, -0.0003067900000000 ]  - [  -0.0000006200000000,  0.0000004100000000, -0.0001542300000000 ]  - [   0.0000006200000000,  0.0000004100000000, -0.0001542300000000 ]  - [   0.0000059400000000, -0.0000073100000000, -0.0006267000000000 ]  - [  -0.0000059400000000, -0.0000073100000000, -0.0006267000000000 ]  - [   0.0000000000000000,  0.0000002200000000, -0.0001475500000000 ]  - [   0.0000000400000000,  0.0000000000000000, -0.0001475400000000 ]  - [  -0.0000000400000000,  0.0000000000000000, -0.0001475400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000777100000000 ]  - [   0.0000059400000000,  0.0000073100000000, -0.0006267000000000 ]  - [  -0.0000059400000000,  0.0000073100000000, -0.0006267000000000 ]  - [   0.0000000000000000, -0.0000002200000000, -0.0001475500000000 ]  - [   0.0000000000000000,  0.0001099600000000,  0.0011117300000000 ]  - [   0.0000795700000000,  0.0000792900000000,  0.0008546000000000 ]  - [  -0.0000795700000000,  0.0000792900000000,  0.0008546000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007528400000000 ]  - [   0.0000145400000000,  0.0000000000000000,  0.0007154100000000 ]  - [  -0.0000145400000000,  0.0000000000000000,  0.0007154100000000 ]  - [   0.0000000000000000, -0.0001099600000000,  0.0011117300000000 ]  - [   0.0000795700000000, -0.0000792900000000,  0.0008546000000000 ]  - [  -0.0000795700000000, -0.0000792900000000,  0.0008546000000000 ]  - [  -0.0026897600000000,  0.0000000000000000,  0.0008727600000000 ]  - [   0.0026897600000000,  0.0000000000000000,  0.0008727600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008429300000000 ]  - [  -0.0001047500000000,  0.0001663100000000, -0.0008180400000000 ]  - [   0.0001047500000000,  0.0001663100000000, -0.0008180400000000 ]  - [   0.0000000000000000,  0.0000637400000000, -0.0007266200000000 ]  - [  -0.0001047500000000, -0.0001663100000000, -0.0008180400000000 ]  - [   0.0001047500000000, -0.0001663100000000, -0.0008180400000000 ]  - [   0.0000000000000000, -0.0000637400000000, -0.0007266200000000 ]  - [  -0.0000001600000000,  0.0000001800000000,  0.0002023100000000 ]  - [   0.0000001600000000,  0.0000001800000000,  0.0002023100000000 ]  - [   0.0000000000000000,  0.0000001000000000,  0.0001199100000000 ]  - [  -0.0000000200000000,  0.0000000000000000,  0.0000704000000000 ]  - [   0.0000000200000000,  0.0000000000000000,  0.0000704000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000485700000000 ]  - [  -0.0000001600000000, -0.0000001800000000,  0.0002023100000000 ]  - [   0.0000001600000000, -0.0000001800000000,  0.0002023100000000 ]  - [   0.0000000000000000, -0.0000001000000000,  0.0001199100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003073000000000 ]  - [   0.0000000900000000,  0.0000000000000000,  0.0001516100000000 ]  - [  -0.0000000900000000,  0.0000000000000000,  0.0001516100000000 ]  - [   0.0000000000000000,  0.0000003200000000,  0.0001515900000000 ]  - [   0.0000000400000000,  0.0000002500000000,  0.0000893600000000 ]  - [  -0.0000000400000000,  0.0000002500000000,  0.0000893600000000 ]  - [   0.0000000000000000, -0.0000003200000000,  0.0001515900000000 ]  - [   0.0000000400000000, -0.0000002500000000,  0.0000893600000000 ]  - [  -0.0000000400000000, -0.0000002500000000,  0.0000893600000000 ]  - [   0.0026742700000000,  0.0000000000000000,  0.0021839000000000 ]  - [  -0.0026742700000000,  0.0000000000000000,  0.0021839000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004748200000000 ]  - [   0.0001041200000000, -0.0001667600000000,  0.0005007600000000 ]  - [  -0.0001041200000000, -0.0001667600000000,  0.0005007600000000 ]  - [   0.0000000000000000, -0.0000633900000000,  0.0005908300000000 ]  - [   0.0001041200000000,  0.0001667600000000,  0.0005007600000000 ]  - [  -0.0001041200000000,  0.0001667600000000,  0.0005007600000000 ]  - [   0.0000000000000000,  0.0000633900000000,  0.0005908300000000 ]  - [   0.0000000000000000, -0.0001094500000000, -0.0002056700000000 ]  - [  -0.0000792900000000, -0.0000787700000000, -0.0004623400000000 ]  - [   0.0000792900000000, -0.0000787700000000, -0.0004623400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005637300000000 ]  - [  -0.0000145400000000,  0.0000000000000000, -0.0006011300000000 ]  - [   0.0000145400000000,  0.0000000000000000, -0.0006011300000000 ]  - [   0.0000000000000000,  0.0001094500000000, -0.0002056700000000 ]  - [  -0.0000792900000000,  0.0000787700000000, -0.0004623400000000 ]  - [   0.0000792900000000,  0.0000787700000000, -0.0004623400000000 ]  - [   0.0000362700000000,  0.0000000000000000,  0.0053789000000000 ]  - [  -0.0000362700000000,  0.0000000000000000,  0.0053789000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002543800000000 ]  - [   0.0000004100000000,  0.0000029100000000,  0.0004191900000000 ]  - [  -0.0000004100000000,  0.0000029100000000,  0.0004191900000000 ]  - [   0.0000000000000000, -0.0000004000000000,  0.0001718200000000 ]  - [   0.0000004100000000, -0.0000029100000000,  0.0004191900000000 ]  - [  -0.0000004100000000, -0.0000029100000000,  0.0004191900000000 ]  - [   0.0000000000000000,  0.0000004000000000,  0.0001718200000000 ]  - [   0.0000000000000000, -0.0000002700000000, -0.0006263800000000 ]  - [   0.0000000000000000, -0.0000001800000000, -0.0003005900000000 ]  - [   0.0000000000000000, -0.0000001800000000, -0.0003005900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001496100000000 ]  - [  -0.0000000100000000,  0.0000000000000000, -0.0001029800000000 ]  - [   0.0000000100000000,  0.0000000000000000, -0.0001029800000000 ]  - [   0.0000000000000000,  0.0000002700000000, -0.0006263800000000 ]  - [   0.0000000000000000,  0.0000001800000000, -0.0003005900000000 ]  - [   0.0000000000000000,  0.0000001800000000, -0.0003005900000000 ]  - [   0.0000000000000000, -0.0003307900000000,  0.0007271900000000 ]  - [  -0.0001726400000000, -0.0002205500000000, -0.0003349700000000 ]  - [   0.0001726400000000, -0.0002205500000000, -0.0003349700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004471400000000 ]  - [  -0.0000367400000000,  0.0000000000000000, -0.0004881600000000 ]  - [   0.0000367400000000,  0.0000000000000000, -0.0004881600000000 ]  - [   0.0000000000000000,  0.0003307900000000,  0.0007271900000000 ]  - [  -0.0001726400000000,  0.0002205500000000, -0.0003349700000000 ]  - [   0.0001726400000000,  0.0002205500000000, -0.0003349700000000 ]  - [   0.0000861000000000,  0.0000000000000000,  0.0000255300000000 ]  - [  -0.0000861000000000,  0.0000000000000000,  0.0000255300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003901100000000 ]  - [   0.0000603200000000, -0.0001155700000000,  0.0003804300000000 ]  - [  -0.0000603200000000, -0.0001155700000000,  0.0003804300000000 ]  - [   0.0000000000000000, -0.0000395200000000,  0.0004727600000000 ]  - [   0.0000603200000000,  0.0001155700000000,  0.0003804300000000 ]  - [  -0.0000603200000000,  0.0001155700000000,  0.0003804300000000 ]  - [   0.0000000000000000,  0.0000395200000000,  0.0004727600000000 ]  - [  -0.0000860300000000,  0.0000000000000000, -0.0010175900000000 ]  - [   0.0000860300000000,  0.0000000000000000, -0.0010175900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006530600000000 ]  - [  -0.0000600000000000,  0.0001150700000000, -0.0006627500000000 ]  - [   0.0000600000000000,  0.0001150700000000, -0.0006627500000000 ]  - [   0.0000000000000000,  0.0000393300000000, -0.0005706600000000 ]  - [  -0.0000600000000000, -0.0001150700000000, -0.0006627500000000 ]  - [   0.0000600000000000, -0.0001150700000000, -0.0006627500000000 ]  - [   0.0000000000000000, -0.0000393300000000, -0.0005706600000000 ]  - [   0.0000000000000000,  0.0003858800000000,  0.0017173900000000 ]  - [   0.0001735800000000,  0.0002198000000000,  0.0007064700000000 ]  - [  -0.0001735800000000,  0.0002198000000000,  0.0007064700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005954800000000 ]  - [   0.0000367600000000,  0.0000000000000000,  0.0005544600000000 ]  - [  -0.0000367600000000,  0.0000000000000000,  0.0005544600000000 ]  - [   0.0000000000000000, -0.0003858800000000,  0.0017173900000000 ]  - [   0.0001735800000000, -0.0002198000000000,  0.0007064700000000 ]  - [  -0.0001735800000000, -0.0002198000000000,  0.0007064700000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002673400000000,  0.0000001300000000, -0.0000002100000000 ]  - [   0.0001442800000000, -0.0000169100000000, -0.0000796700000000 ]  - [   0.0001444000000000,  0.0000167400000000,  0.0000791600000000 ]  - [  -0.0002673400000000, -0.0000001300000000, -0.0000002100000000 ]  - [   0.0001442800000000,  0.0000169100000000, -0.0000796700000000 ]  - [   0.0001444000000000, -0.0000167400000000,  0.0000791600000000 ]  - [  -0.0001235700000000,  0.0000000000000000, -0.0000001200000000 ]  - [   0.0000598700000000,  0.0000000000000000, -0.0000146500000000 ]  - [   0.0000600900000000,  0.0000000000000000,  0.0000144000000000 ]  - [  -0.0000907200000000,  0.0000000000000000,  0.0001093400000000 ]  - [  -0.0000910900000000,  0.0000000000000000, -0.0001100200000000 ]  - [   0.0001376700000000,  0.0000000000000000, -0.0000002400000000 ]  - [  -0.0000396900000000, -0.0000978700000000,  0.0000787700000000 ]  - [  -0.0000399000000000,  0.0000982900000000, -0.0000792500000000 ]  - [   0.0000763400000000,  0.0000001300000000, -0.0000001400000000 ]  - [  -0.0000396900000000,  0.0000978700000000,  0.0000787700000000 ]  - [  -0.0000399000000000, -0.0000982900000000, -0.0000792500000000 ]  - [   0.0000763400000000, -0.0000001300000000, -0.0000001400000000 ]  - [  -0.0152384300000000,  0.0000000000000000,  0.0006803100000000 ]  - [   0.0008330800000000,  0.0000000000000000,  0.0007566500000000 ]  - [   0.0008318000000000,  0.0000000000000000,  0.0005631800000000 ]  - [  -0.0004463600000000, -0.0000005300000000,  0.0006595100000000 ]  - [   0.0003316600000000,  0.0003124400000000,  0.0006594700000000 ]  - [   0.0003311900000000, -0.0003110500000000,  0.0006579800000000 ]  - [  -0.0004463600000000,  0.0000005300000000,  0.0006595100000000 ]  - [   0.0003316600000000, -0.0003124400000000,  0.0006594700000000 ]  - [   0.0003311900000000,  0.0003110500000000,  0.0006579800000000 ]  - [   0.0000049900000000,  0.0002966400000000, -0.0000050200000000 ]  - [   0.0000038500000000, -0.0002980100000000, -0.0013136300000000 ]  - [   0.0001954600000000, -0.0000002000000000, -0.0006586900000000 ]  - [   0.0000049900000000, -0.0002966400000000, -0.0000050200000000 ]  - [   0.0000038500000000,  0.0002980100000000, -0.0013136300000000 ]  - [   0.0001954600000000,  0.0000002000000000, -0.0006586900000000 ]  - [  -0.0000561600000000,  0.0000000000000000, -0.0006155800000000 ]  - [  -0.0000564500000000,  0.0000000000000000, -0.0007010800000000 ]  - [   0.0001204000000000,  0.0000000000000000, -0.0006585400000000 ]  - [   0.0020805400000000,  0.0000000000000000, -0.0026753700000000 ]  - [   0.0020818400000000,  0.0000000000000000,  0.0026886300000000 ]  - [   0.0006098900000000,  0.0000000000000000,  0.0000005700000000 ]  - [  -0.0001763100000000, -0.0001373400000000, -0.0001040400000000 ]  - [  -0.0001799300000000,  0.0001362400000000,  0.0001048200000000 ]  - [   0.0003120700000000,  0.0000001900000000,  0.0000001800000000 ]  - [  -0.0001763100000000,  0.0001373400000000, -0.0001040400000000 ]  - [  -0.0001799300000000, -0.0001362400000000,  0.0001048200000000 ]  - [   0.0003120700000000, -0.0000001900000000,  0.0000001800000000 ]  - [  -0.0008819300000000,  0.0000120900000000, -0.0000088500000000 ]  - [   0.0003851700000000, -0.0003728000000000,  0.0001669200000000 ]  - [   0.0003857600000000,  0.0003713300000000, -0.0001661000000000 ]  - [  -0.0008819300000000, -0.0000120900000000, -0.0000088500000000 ]  - [   0.0003851700000000,  0.0003728000000000,  0.0001669200000000 ]  - [   0.0003857600000000, -0.0003713300000000, -0.0001661000000000 ]  - [  -0.0001435900000000,  0.0000000000000000,  0.0000003000000000 ]  - [   0.0000659600000000,  0.0000000000000000,  0.0000638000000000 ]  - [   0.0000667800000000,  0.0000000000000000, -0.0000633000000000 ]  - [  -0.0000537900000000,  0.0000201000000000,  0.0006265500000000 ]  - [  -0.0000541400000000, -0.0000202000000000,  0.0006894200000000 ]  - [   0.0001116600000000, -0.0000001000000000,  0.0006583200000000 ]  - [  -0.0000537900000000, -0.0000201000000000,  0.0006265500000000 ]  - [  -0.0000541400000000,  0.0000202000000000,  0.0006894200000000 ]  - [   0.0001116600000000,  0.0000001000000000,  0.0006583200000000 ]  - [  -0.0000282500000000,  0.0000000000000000,  0.0006677700000000 ]  - [  -0.0000285400000000,  0.0000000000000000,  0.0006482500000000 ]  - [   0.0000593400000000,  0.0000000000000000,  0.0006582500000000 ]  - [  -0.0007189800000000,  0.0000000000000000, -0.0006602800000000 ]  - [   0.0004838800000000,  0.0000000000000000, -0.0002491900000000 ]  - [   0.0004837500000000,  0.0000000000000000, -0.0010664900000000 ]  - [  -0.0001891300000000, -0.0000012300000000, -0.0006596700000000 ]  - [   0.0000685300000000,  0.0000792000000000, -0.0005819600000000 ]  - [   0.0000693200000000, -0.0000789300000000, -0.0007349600000000 ]  - [  -0.0001891300000000,  0.0000012300000000, -0.0006596700000000 ]  - [   0.0000685300000000, -0.0000792000000000, -0.0005819600000000 ]  - [   0.0000693200000000,  0.0000789300000000, -0.0007349600000000 ]  - [   0.0001202400000000, -0.0000268000000000, -0.0003901600000000 ]  - [   0.0001206900000000,  0.0000267200000000,  0.0003917300000000 ]  - [  -0.0002266900000000,  0.0000002400000000,  0.0000001600000000 ]  - [   0.0001202400000000,  0.0000268000000000, -0.0003901600000000 ]  - [   0.0001206900000000, -0.0000267200000000,  0.0003917300000000 ]  - [  -0.0002266900000000, -0.0000002400000000,  0.0000001600000000 ]  - [   0.0000533100000000,  0.0000000000000000, -0.0000239300000000 ]  - [   0.0000535500000000,  0.0000000000000000,  0.0000244000000000 ]  - [  -0.0001080200000000,  0.0000000000000000,  0.0000001900000000 ]  - [   0.0066227000000000,  0.0000000000000000, -0.0000228400000000 ]  - [  -0.0017398200000000,  0.0000000000000000, -0.0002557900000000 ]  - [  -0.0017424100000000,  0.0000000000000000,  0.0002541900000000 ]  - [   0.0004044300000000,  0.0000057600000000, -0.0000013300000000 ]  - [  -0.0002075800000000, -0.0003300400000000, -0.0002141300000000 ]  - [  -0.0002092800000000,  0.0003288400000000,  0.0002127200000000 ]  - [   0.0004044300000000, -0.0000057600000000, -0.0000013300000000 ]  - [  -0.0002075800000000,  0.0003300400000000, -0.0002141300000000 ]  - [  -0.0002092800000000, -0.0003288400000000,  0.0002127200000000 ]  - [   0.0013815900000000,  0.0000000000000000, -0.0005162000000000 ]  - [  -0.0005055700000000,  0.0000000000000000, -0.0001037600000000 ]  - [  -0.0005028500000000,  0.0000000000000000, -0.0009367700000000 ]  - [   0.0002941800000000,  0.0000001000000000, -0.0005220400000000 ]  - [  -0.0001370000000000, -0.0001022400000000, -0.0004204100000000 ]  - [  -0.0001369500000000,  0.0001016700000000, -0.0006225100000000 ]  - [   0.0002941800000000, -0.0000001000000000, -0.0005220400000000 ]  - [  -0.0001370000000000,  0.0001022400000000, -0.0004204100000000 ]  - [  -0.0001369500000000, -0.0001016700000000, -0.0006225100000000 ]  - [   0.0012851800000000, -0.0002358800000000,  0.0002778100000000 ]  - [   0.0013400300000000,  0.0001814400000000,  0.0007652700000000 ]  - [  -0.0005310400000000,  0.0000004200000000,  0.0005215300000000 ]  - [   0.0012851800000000,  0.0002358800000000,  0.0002778100000000 ]  - [   0.0013400300000000, -0.0001814400000000,  0.0007652700000000 ]  - [  -0.0005310400000000, -0.0000004200000000,  0.0005215300000000 ]  - [   0.0001193700000000,  0.0000000000000000,  0.0005236200000000 ]  - [   0.0001202900000000,  0.0000000000000000,  0.0005188400000000 ]  - [  -0.0002332200000000,  0.0000000000000000,  0.0005214900000000 ]  - [   0.0002195600000000, -0.0002551700000000, -0.0003091000000000 ]  - [   0.0002228300000000,  0.0002558000000000, -0.0007328700000000 ]  - [  -0.0002566400000000,  0.0000001100000000, -0.0005217000000000 ]  - [   0.0002195600000000,  0.0002551700000000, -0.0003091000000000 ]  - [   0.0002228300000000, -0.0002558000000000, -0.0007328700000000 ]  - [  -0.0002566400000000, -0.0000001100000000, -0.0005217000000000 ]  - [   0.0000489600000000,  0.0000000000000000, -0.0004714200000000 ]  - [   0.0000497400000000,  0.0000000000000000, -0.0005717400000000 ]  - [  -0.0001067300000000,  0.0000000000000000, -0.0005216000000000 ]  - [   0.0001156000000000,  0.0000000000000000,  0.0005221100000000 ]  - [  -0.0000559400000000,  0.0000000000000000,  0.0004653300000000 ]  - [  -0.0000563500000000,  0.0000000000000000,  0.0005782700000000 ]  - [   0.0000915000000000, -0.0000000500000000,  0.0005220600000000 ]  - [  -0.0000429700000000, -0.0000209000000000,  0.0005100800000000 ]  - [  -0.0000432800000000,  0.0000207600000000,  0.0005335000000000 ]  - [   0.0000915000000000,  0.0000000500000000,  0.0005220600000000 ]  - [  -0.0000429700000000,  0.0000209000000000,  0.0005100800000000 ]  - [  -0.0000432800000000, -0.0000207600000000,  0.0005335000000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0003049900000000,  0.0004523000000000 ]  - [  -0.0002119200000000,  0.0000629500000000,  0.0001959600000000 ]  - [   0.0002119200000000,  0.0000629500000000,  0.0001959600000000 ]  - [   0.0000000000000000, -0.0003049900000000,  0.0004523000000000 ]  - [  -0.0002119200000000, -0.0000629500000000,  0.0001959600000000 ]  - [   0.0002119200000000, -0.0000629500000000,  0.0001959600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000945500000000 ]  - [  -0.0000535300000000,  0.0000000000000000,  0.0000571700000000 ]  - [   0.0000535300000000,  0.0000000000000000,  0.0000571700000000 ]  - [   0.0003049900000000,  0.0000000000000000,  0.0004523000000000 ]  - [  -0.0003049900000000,  0.0000000000000000,  0.0004523000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000945500000000 ]  - [   0.0000629500000000, -0.0002119200000000,  0.0001959600000000 ]  - [  -0.0000629500000000, -0.0002119200000000,  0.0001959600000000 ]  - [   0.0000000000000000, -0.0000535300000000,  0.0000571700000000 ]  - [   0.0000629500000000,  0.0002119200000000,  0.0001959600000000 ]  - [  -0.0000629500000000,  0.0002119200000000,  0.0001959600000000 ]  - [   0.0000000000000000,  0.0000535300000000,  0.0000571700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0322849800000000 ]  - [  -0.0000977400000000,  0.0000000000000000, -0.0000480200000000 ]  - [   0.0000977400000000,  0.0000000000000000, -0.0000480200000000 ]  - [   0.0000000000000000, -0.0000977400000000, -0.0000480200000000 ]  - [  -0.0000013600000000, -0.0000013600000000,  0.0003754700000000 ]  - [   0.0000013600000000, -0.0000013600000000,  0.0003754700000000 ]  - [   0.0000000000000000,  0.0000977400000000, -0.0000480200000000 ]  - [  -0.0000013600000000,  0.0000013600000000,  0.0003754700000000 ]  - [   0.0000013600000000,  0.0000013600000000,  0.0003754700000000 ]  - [   0.0006529100000000,  0.0006529100000000, -0.0001217900000000 ]  - [  -0.0006529100000000,  0.0006529100000000, -0.0001217900000000 ]  - [   0.0000000000000000,  0.0000426900000000, -0.0007539200000000 ]  - [   0.0006529100000000, -0.0006529100000000, -0.0001217900000000 ]  - [  -0.0006529100000000, -0.0006529100000000, -0.0001217900000000 ]  - [   0.0000000000000000, -0.0000426900000000, -0.0007539200000000 ]  - [   0.0000426900000000,  0.0000000000000000, -0.0007539200000000 ]  - [  -0.0000426900000000,  0.0000000000000000, -0.0007539200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007542100000000 ]  - [  -0.0032611600000000,  0.0000000000000000,  0.0015282500000000 ]  - [   0.0032611600000000,  0.0000000000000000,  0.0015282500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001844200000000 ]  - [  -0.0002796300000000,  0.0002213100000000, -0.0001591600000000 ]  - [   0.0002796300000000,  0.0002213100000000, -0.0001591600000000 ]  - [   0.0000000000000000,  0.0000560700000000, -0.0000681600000000 ]  - [  -0.0002796300000000, -0.0002213100000000, -0.0001591600000000 ]  - [   0.0002796300000000, -0.0002213100000000, -0.0001591600000000 ]  - [   0.0000000000000000, -0.0000560700000000, -0.0000681600000000 ]  - [   0.0000000000000000, -0.0032611600000000,  0.0015282500000000 ]  - [   0.0002213100000000, -0.0002796300000000, -0.0001591600000000 ]  - [  -0.0002213100000000, -0.0002796300000000, -0.0001591600000000 ]  - [   0.0000000000000000,  0.0032611600000000,  0.0015282500000000 ]  - [   0.0002213100000000,  0.0002796300000000, -0.0001591600000000 ]  - [  -0.0002213100000000,  0.0002796300000000, -0.0001591600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001844200000000 ]  - [   0.0000560700000000,  0.0000000000000000, -0.0000681600000000 ]  - [  -0.0000560700000000,  0.0000000000000000, -0.0000681600000000 ]  - [   0.0000312600000000,  0.0000312600000000,  0.0010953300000000 ]  - [  -0.0000312600000000,  0.0000312600000000,  0.0010953300000000 ]  - [   0.0000000000000000, -0.0000098100000000,  0.0009144300000000 ]  - [   0.0000312600000000, -0.0000312600000000,  0.0010953300000000 ]  - [  -0.0000312600000000, -0.0000312600000000,  0.0010953300000000 ]  - [   0.0000000000000000,  0.0000098100000000,  0.0009144300000000 ]  - [  -0.0000098100000000,  0.0000000000000000,  0.0009144300000000 ]  - [   0.0000098100000000,  0.0000000000000000,  0.0009144300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008242600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002363700000000 ]  - [   0.0004089400000000,  0.0000000000000000, -0.0002538200000000 ]  - [  -0.0004089400000000,  0.0000000000000000, -0.0002538200000000 ]  - [   0.0000000000000000,  0.0004089400000000, -0.0002538200000000 ]  - [   0.0000764900000000,  0.0000764900000000, -0.0005191200000000 ]  - [  -0.0000764900000000,  0.0000764900000000, -0.0005191200000000 ]  - [   0.0000000000000000, -0.0004089400000000, -0.0002538200000000 ]  - [   0.0000764900000000, -0.0000764900000000, -0.0005191200000000 ]  - [  -0.0000764900000000, -0.0000764900000000, -0.0005191200000000 ]  - [  -0.0002767500000000, -0.0002767500000000, -0.0008488100000000 ]  - [   0.0002767500000000, -0.0002767500000000, -0.0008488100000000 ]  - [   0.0000000000000000, -0.0000493700000000, -0.0001287000000000 ]  - [  -0.0002767500000000,  0.0002767500000000, -0.0008488100000000 ]  - [   0.0002767500000000,  0.0002767500000000, -0.0008488100000000 ]  - [   0.0000000000000000,  0.0000493700000000, -0.0001287000000000 ]  - [  -0.0000493700000000,  0.0000000000000000, -0.0001287000000000 ]  - [   0.0000493700000000,  0.0000000000000000, -0.0001287000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000955400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0156511900000000 ]  - [  -0.0015558200000000,  0.0000000000000000,  0.0005562500000000 ]  - [   0.0015558200000000,  0.0000000000000000,  0.0005562500000000 ]  - [   0.0000000000000000, -0.0015558200000000,  0.0005562500000000 ]  - [  -0.0001375900000000, -0.0001375900000000,  0.0001550000000000 ]  - [   0.0001375900000000, -0.0001375900000000,  0.0001550000000000 ]  - [   0.0000000000000000,  0.0015558200000000,  0.0005562500000000 ]  - [  -0.0001375900000000,  0.0001375900000000,  0.0001550000000000 ]  - [   0.0001375900000000,  0.0001375900000000,  0.0001550000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016837100000000 ]  - [   0.0005787400000000,  0.0000000000000000, -0.0005855100000000 ]  - [  -0.0005787400000000,  0.0000000000000000, -0.0005855100000000 ]  - [   0.0000000000000000,  0.0005787400000000, -0.0005855100000000 ]  - [   0.0001409200000000,  0.0001409200000000, -0.0004123500000000 ]  - [  -0.0001409200000000,  0.0001409200000000, -0.0004123500000000 ]  - [   0.0000000000000000, -0.0005787400000000, -0.0005855100000000 ]  - [   0.0001409200000000, -0.0001409200000000, -0.0004123500000000 ]  - [  -0.0001409200000000, -0.0001409200000000, -0.0004123500000000 ]  - [   0.0002282300000000,  0.0002282300000000,  0.0025525300000000 ]  - [  -0.0002282300000000,  0.0002282300000000,  0.0025525300000000 ]  - [   0.0000000000000000, -0.0000242100000000,  0.0007611900000000 ]  - [   0.0002282300000000, -0.0002282300000000,  0.0025525300000000 ]  - [  -0.0002282300000000, -0.0002282300000000,  0.0025525300000000 ]  - [   0.0000000000000000,  0.0000242100000000,  0.0007611900000000 ]  - [  -0.0000242100000000,  0.0000000000000000,  0.0007611900000000 ]  - [   0.0000242100000000,  0.0000000000000000,  0.0007611900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006638000000000 ]  - [   0.0002314400000000,  0.0002314400000000, -0.0008961000000000 ]  - [  -0.0002314400000000,  0.0002314400000000, -0.0008961000000000 ]  - [   0.0000000000000000,  0.0000819100000000, -0.0006445900000000 ]  - [   0.0002314400000000, -0.0002314400000000, -0.0008961000000000 ]  - [  -0.0002314400000000, -0.0002314400000000, -0.0008961000000000 ]  - [   0.0000000000000000, -0.0000819100000000, -0.0006445900000000 ]  - [   0.0000819100000000,  0.0000000000000000, -0.0006445900000000 ]  - [  -0.0000819100000000,  0.0000000000000000, -0.0006445900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006185500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001113400000000 ]  - [   0.0000345200000000,  0.0000000000000000,  0.0001837900000000 ]  - [  -0.0000345200000000,  0.0000000000000000,  0.0001837900000000 ]  - [   0.0000000000000000,  0.0000345200000000,  0.0001837900000000 ]  - [   0.0000025100000000,  0.0000025100000000,  0.0003218500000000 ]  - [  -0.0000025100000000,  0.0000025100000000,  0.0003218500000000 ]  - [   0.0000000000000000, -0.0000345200000000,  0.0001837900000000 ]  - [   0.0000025100000000, -0.0000025100000000,  0.0003218500000000 ]  - [  -0.0000025100000000, -0.0000025100000000,  0.0003218500000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0003072200000000, -0.0004537800000000 ]  - [   0.0002127700000000, -0.0000633400000000, -0.0001963200000000 ]  - [  -0.0002127700000000, -0.0000633400000000, -0.0001963200000000 ]  - [   0.0000000000000000,  0.0003072200000000, -0.0004537800000000 ]  - [   0.0002127700000000,  0.0000633400000000, -0.0001963200000000 ]  - [  -0.0002127700000000,  0.0000633400000000, -0.0001963200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000946200000000 ]  - [   0.0000538100000000,  0.0000000000000000, -0.0000571900000000 ]  - [  -0.0000538100000000,  0.0000000000000000, -0.0000571900000000 ]  - [  -0.0003072200000000,  0.0000000000000000, -0.0004537800000000 ]  - [   0.0003072200000000,  0.0000000000000000, -0.0004537800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000946200000000 ]  - [  -0.0000633400000000,  0.0002127700000000, -0.0001963200000000 ]  - [   0.0000633400000000,  0.0002127700000000, -0.0001963200000000 ]  - [   0.0000000000000000,  0.0000538100000000, -0.0000571900000000 ]  - [  -0.0000633400000000, -0.0002127700000000, -0.0001963200000000 ]  - [   0.0000633400000000, -0.0002127700000000, -0.0001963200000000 ]  - [   0.0000000000000000, -0.0000538100000000, -0.0000571900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0327287000000000 ]  - [   0.0000957800000000,  0.0000000000000000,  0.0013643400000000 ]  - [  -0.0000957800000000,  0.0000000000000000,  0.0013643400000000 ]  - [   0.0000000000000000,  0.0000957800000000,  0.0013643400000000 ]  - [   0.0000001500000000,  0.0000001500000000,  0.0009415800000000 ]  - [  -0.0000001500000000,  0.0000001500000000,  0.0009415800000000 ]  - [   0.0000000000000000, -0.0000957800000000,  0.0013643400000000 ]  - [   0.0000001500000000, -0.0000001500000000,  0.0009415800000000 ]  - [  -0.0000001500000000, -0.0000001500000000,  0.0009415800000000 ]  - [  -0.0006556600000000, -0.0006556600000000, -0.0011942500000000 ]  - [   0.0006556600000000, -0.0006556600000000, -0.0011942500000000 ]  - [   0.0000000000000000, -0.0000428100000000, -0.0005623500000000 ]  - [  -0.0006556600000000,  0.0006556600000000, -0.0011942500000000 ]  - [   0.0006556600000000,  0.0006556600000000, -0.0011942500000000 ]  - [   0.0000000000000000,  0.0000428100000000, -0.0005623500000000 ]  - [  -0.0000428100000000,  0.0000000000000000, -0.0005623500000000 ]  - [   0.0000428100000000,  0.0000000000000000, -0.0005623500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005622300000000 ]  - [   0.0032454500000000,  0.0000000000000000, -0.0015285000000000 ]  - [  -0.0032454500000000,  0.0000000000000000, -0.0015285000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001835300000000 ]  - [   0.0002792600000000, -0.0002215200000000,  0.0001580600000000 ]  - [  -0.0002792600000000, -0.0002215200000000,  0.0001580600000000 ]  - [   0.0000000000000000, -0.0000560900000000,  0.0000676000000000 ]  - [   0.0002792600000000,  0.0002215200000000,  0.0001580600000000 ]  - [  -0.0002792600000000,  0.0002215200000000,  0.0001580600000000 ]  - [   0.0000000000000000,  0.0000560900000000,  0.0000676000000000 ]  - [   0.0000000000000000,  0.0032454500000000, -0.0015285000000000 ]  - [  -0.0002215200000000,  0.0002792600000000,  0.0001580600000000 ]  - [   0.0002215200000000,  0.0002792600000000,  0.0001580600000000 ]  - [   0.0000000000000000, -0.0032454500000000, -0.0015285000000000 ]  - [  -0.0002215200000000, -0.0002792600000000,  0.0001580600000000 ]  - [   0.0002215200000000, -0.0002792600000000,  0.0001580600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001835300000000 ]  - [  -0.0000560900000000,  0.0000000000000000,  0.0000676000000000 ]  - [   0.0000560900000000,  0.0000000000000000,  0.0000676000000000 ]  - [  -0.0000315500000000, -0.0000315500000000,  0.0002205100000000 ]  - [   0.0000315500000000, -0.0000315500000000,  0.0002205100000000 ]  - [   0.0000000000000000,  0.0000096900000000,  0.0004020100000000 ]  - [  -0.0000315500000000,  0.0000315500000000,  0.0002205100000000 ]  - [   0.0000315500000000,  0.0000315500000000,  0.0002205100000000 ]  - [   0.0000000000000000, -0.0000096900000000,  0.0004020100000000 ]  - [   0.0000096900000000,  0.0000000000000000,  0.0004020100000000 ]  - [  -0.0000096900000000,  0.0000000000000000,  0.0004020100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004922300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015581300000000 ]  - [  -0.0004083800000000,  0.0000000000000000, -0.0010635100000000 ]  - [   0.0004083800000000,  0.0000000000000000, -0.0010635100000000 ]  - [   0.0000000000000000, -0.0004083800000000, -0.0010635100000000 ]  - [  -0.0000764600000000, -0.0000764600000000, -0.0007986300000000 ]  - [   0.0000764600000000, -0.0000764600000000, -0.0007986300000000 ]  - [   0.0000000000000000,  0.0004083800000000, -0.0010635100000000 ]  - [  -0.0000764600000000,  0.0000764600000000, -0.0007986300000000 ]  - [   0.0000764600000000,  0.0000764600000000, -0.0007986300000000 ]  - [   0.0002785500000000,  0.0002785500000000,  0.0008503800000000 ]  - [  -0.0002785500000000,  0.0002785500000000,  0.0008503800000000 ]  - [   0.0000000000000000,  0.0000496800000000,  0.0001282300000000 ]  - [   0.0002785500000000, -0.0002785500000000,  0.0008503800000000 ]  - [  -0.0002785500000000, -0.0002785500000000,  0.0008503800000000 ]  - [   0.0000000000000000, -0.0000496800000000,  0.0001282300000000 ]  - [   0.0000496800000000,  0.0000000000000000,  0.0001282300000000 ]  - [  -0.0000496800000000,  0.0000000000000000,  0.0001282300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000950300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0145720800000000 ]  - [   0.0015554800000000,  0.0000000000000000, -0.0005537800000000 ]  - [  -0.0015554800000000,  0.0000000000000000, -0.0005537800000000 ]  - [   0.0000000000000000,  0.0015554800000000, -0.0005537800000000 ]  - [   0.0001379800000000,  0.0001379800000000, -0.0001537800000000 ]  - [  -0.0001379800000000,  0.0001379800000000, -0.0001537800000000 ]  - [   0.0000000000000000, -0.0015554800000000, -0.0005537800000000 ]  - [   0.0001379800000000, -0.0001379800000000, -0.0001537800000000 ]  - [  -0.0001379800000000, -0.0001379800000000, -0.0001537800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029173900000000 ]  - [  -0.0005805400000000,  0.0000000000000000, -0.0004589900000000 ]  - [   0.0005805400000000,  0.0000000000000000, -0.0004589900000000 ]  - [   0.0000000000000000, -0.0005805400000000, -0.0004589900000000 ]  - [  -0.0001411900000000, -0.0001411900000000, -0.0006319600000000 ]  - [   0.0001411900000000, -0.0001411900000000, -0.0006319600000000 ]  - [   0.0000000000000000,  0.0005805400000000, -0.0004589900000000 ]  - [  -0.0001411900000000,  0.0001411900000000, -0.0006319600000000 ]  - [   0.0001411900000000,  0.0001411900000000, -0.0006319600000000 ]  - [  -0.0002240600000000, -0.0002240600000000, -0.0015101400000000 ]  - [   0.0002240600000000, -0.0002240600000000, -0.0015101400000000 ]  - [   0.0000000000000000,  0.0000241100000000,  0.0002813600000000 ]  - [  -0.0002240600000000,  0.0002240600000000, -0.0015101400000000 ]  - [   0.0002240600000000,  0.0002240600000000, -0.0015101400000000 ]  - [   0.0000000000000000, -0.0000241100000000,  0.0002813600000000 ]  - [   0.0000241100000000,  0.0000000000000000,  0.0002813600000000 ]  - [  -0.0000241100000000,  0.0000000000000000,  0.0002813600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003788300000000 ]  - [  -0.0002323700000000, -0.0002323700000000, -0.0001452500000000 ]  - [   0.0002323700000000, -0.0002323700000000, -0.0001452500000000 ]  - [   0.0000000000000000, -0.0000817800000000, -0.0003980100000000 ]  - [  -0.0002323700000000,  0.0002323700000000, -0.0001452500000000 ]  - [   0.0002323700000000,  0.0002323700000000, -0.0001452500000000 ]  - [   0.0000000000000000,  0.0000817800000000, -0.0003980100000000 ]  - [  -0.0000817800000000,  0.0000000000000000, -0.0003980100000000 ]  - [   0.0000817800000000,  0.0000000000000000, -0.0003980100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004240700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011574400000000 ]  - [  -0.0000349100000000,  0.0000000000000000,  0.0008600300000000 ]  - [   0.0000349100000000,  0.0000000000000000,  0.0008600300000000 ]  - [   0.0000000000000000, -0.0000349100000000,  0.0008600300000000 ]  - [  -0.0000026100000000, -0.0000026100000000,  0.0007215600000000 ]  - [   0.0000026100000000, -0.0000026100000000,  0.0007215600000000 ]  - [   0.0000000000000000,  0.0000349100000000,  0.0008600300000000 ]  - [  -0.0000026100000000,  0.0000026100000000,  0.0007215600000000 ]  - [   0.0000026100000000,  0.0000026100000000,  0.0007215600000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0140708300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016798900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0129912000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004692100000000, -0.0002013600000000,  0.0000000000000000 ]  - [  -0.0007481200000000, -0.0000001100000000,  0.0000000000000000 ]  - [   0.0004652500000000,  0.0002011400000000,  0.0000000000000000 ]  - [   0.0004692100000000,  0.0002013600000000,  0.0000000000000000 ]  - [  -0.0007481200000000,  0.0000001100000000,  0.0000000000000000 ]  - [   0.0004652500000000, -0.0002011400000000,  0.0000000000000000 ]  - [   0.0053162300000000, -0.0000511000000000,  0.0000000000000000 ]  - [  -0.0014266200000000, -0.0015813100000000,  0.0000000000000000 ]  - [  -0.0014242000000000,  0.0015807700000000,  0.0000000000000000 ]  - [   0.0002100000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000999700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001005100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0053162300000000,  0.0000511000000000,  0.0000000000000000 ]  - [  -0.0014266200000000,  0.0015813100000000,  0.0000000000000000 ]  - [  -0.0014242000000000, -0.0015807700000000,  0.0000000000000000 ]  - [   0.0001212700000000, -0.0000265500000000,  0.0003804900000000 ]  - [  -0.0002260300000000,  0.0000000700000000,  0.0006584800000000 ]  - [   0.0001204200000000,  0.0000271300000000,  0.0009357100000000 ]  - [   0.0000540500000000,  0.0000000000000000,  0.0006090800000000 ]  - [  -0.0001074500000000,  0.0000000000000000,  0.0006584000000000 ]  - [   0.0000537400000000,  0.0000000000000000,  0.0007080800000000 ]  - [   0.0001212700000000,  0.0000265500000000,  0.0003804900000000 ]  - [  -0.0002260300000000, -0.0000000700000000,  0.0006584800000000 ]  - [   0.0001204200000000, -0.0000271300000000,  0.0009357100000000 ]  - [   0.0066231000000000,  0.0000000000000000, -0.0007112200000000 ]  - [  -0.0017414000000000,  0.0000000000000000, -0.0022138200000000 ]  - [  -0.0017398200000000,  0.0000000000000000,  0.0008979800000000 ]  - [   0.0004046600000000,  0.0000006800000000, -0.0006571800000000 ]  - [  -0.0002079600000000, -0.0003298200000000, -0.0007961200000000 ]  - [  -0.0002079100000000,  0.0003290900000000, -0.0005204900000000 ]  - [   0.0004046600000000, -0.0000006800000000, -0.0006571800000000 ]  - [  -0.0002079600000000,  0.0003298200000000, -0.0007961200000000 ]  - [  -0.0002079100000000, -0.0003290900000000, -0.0005204900000000 ]  - [   0.0002532800000000,  0.0000001800000000,  0.0000000000000000 ]  - [  -0.0001273400000000, -0.0000386800000000,  0.0000000000000000 ]  - [  -0.0001275500000000,  0.0000387800000000,  0.0000000000000000 ]  - [   0.0001268500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000620900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000623100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002532800000000, -0.0000001800000000,  0.0000000000000000 ]  - [  -0.0001273400000000,  0.0000386800000000,  0.0000000000000000 ]  - [  -0.0001275500000000, -0.0000387800000000,  0.0000000000000000 ]  - [   0.0000798600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001578400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000794800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000466500000000, -0.0000575300000000,  0.0000000000000000 ]  - [  -0.0000908200000000,  0.0000001100000000,  0.0000000000000000 ]  - [   0.0000464500000000,  0.0000575000000000,  0.0000000000000000 ]  - [   0.0000466500000000,  0.0000575300000000,  0.0000000000000000 ]  - [  -0.0000908200000000, -0.0000001100000000,  0.0000000000000000 ]  - [   0.0000464500000000, -0.0000575000000000,  0.0000000000000000 ]  - [   0.0066231000000000,  0.0000000000000000,  0.0007112200000000 ]  - [  -0.0017414000000000,  0.0000000000000000,  0.0022138200000000 ]  - [  -0.0017398200000000,  0.0000000000000000, -0.0008979800000000 ]  - [   0.0004046600000000,  0.0000006800000000,  0.0006571800000000 ]  - [  -0.0002079600000000, -0.0003298200000000,  0.0007961200000000 ]  - [  -0.0002079100000000,  0.0003290900000000,  0.0005204900000000 ]  - [   0.0004046600000000, -0.0000006800000000,  0.0006571800000000 ]  - [  -0.0002079600000000,  0.0003298200000000,  0.0007961200000000 ]  - [  -0.0002079100000000, -0.0003290900000000,  0.0005204900000000 ]  - [   0.0001212700000000, -0.0000265500000000, -0.0003804900000000 ]  - [  -0.0002260300000000,  0.0000000700000000, -0.0006584800000000 ]  - [   0.0001204200000000,  0.0000271300000000, -0.0009357100000000 ]  - [   0.0000540500000000,  0.0000000000000000, -0.0006090800000000 ]  - [  -0.0001074500000000,  0.0000000000000000, -0.0006584000000000 ]  - [   0.0000537400000000,  0.0000000000000000, -0.0007080800000000 ]  - [   0.0001212700000000,  0.0000265500000000, -0.0003804900000000 ]  - [  -0.0002260300000000, -0.0000000700000000, -0.0006584800000000 ]  - [   0.0001204200000000, -0.0000271300000000, -0.0009357100000000 ]  - [  -0.0651411800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0072010900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0072128100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002342700000000, -0.0000030000000000,  0.0000000000000000 ]  - [   0.0002443600000000,  0.0011269500000000,  0.0000000000000000 ]  - [   0.0002449800000000, -0.0011247400000000,  0.0000000000000000 ]  - [  -0.0002342700000000,  0.0000030000000000,  0.0000000000000000 ]  - [   0.0002443600000000, -0.0011269500000000,  0.0000000000000000 ]  - [   0.0002449800000000,  0.0011247400000000,  0.0000000000000000 ]  - [  -0.0001125400000000,  0.0000704200000000,  0.0000000000000000 ]  - [   0.0002300600000000,  0.0000001000000000,  0.0000000000000000 ]  - [  -0.0001123500000000, -0.0000705200000000,  0.0000000000000000 ]  - [  -0.0000562800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001139900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000564500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001125400000000, -0.0000704200000000,  0.0000000000000000 ]  - [   0.0002300600000000, -0.0000001000000000,  0.0000000000000000 ]  - [  -0.0001123500000000,  0.0000705200000000,  0.0000000000000000 ]  - [   0.0012326000000000,  0.0035632600000000,  0.0027330200000000 ]  - [   0.0008164600000000,  0.0000002100000000, -0.0005212700000000 ]  - [   0.0012244700000000, -0.0035327600000000, -0.0037490200000000 ]  - [  -0.0001198100000000,  0.0000000000000000, -0.0004852900000000 ]  - [   0.0002534300000000,  0.0000000000000000, -0.0005215300000000 ]  - [  -0.0001193100000000,  0.0000000000000000, -0.0005579500000000 ]  - [   0.0012326000000000, -0.0035632600000000,  0.0027330200000000 ]  - [   0.0008164600000000, -0.0000002100000000, -0.0005212700000000 ]  - [   0.0012244700000000,  0.0035327600000000, -0.0037490200000000 ]  - [  -0.0002303800000000,  0.0000000000000000,  0.0005218700000000 ]  - [   0.0001331400000000,  0.0000000000000000,  0.0008232100000000 ]  - [   0.0001333800000000,  0.0000000000000000,  0.0002205100000000 ]  - [  -0.0001926200000000,  0.0000000200000000,  0.0005215500000000 ]  - [   0.0000972800000000,  0.0000723000000000,  0.0006332100000000 ]  - [   0.0000972900000000, -0.0000721500000000,  0.0004103300000000 ]  - [  -0.0001926200000000, -0.0000000200000000,  0.0005215500000000 ]  - [   0.0000972800000000, -0.0000723000000000,  0.0006332100000000 ]  - [   0.0000972900000000,  0.0000721500000000,  0.0004103300000000 ]  - [  -0.0002303800000000,  0.0000000000000000, -0.0005218700000000 ]  - [   0.0001331400000000,  0.0000000000000000, -0.0008232100000000 ]  - [   0.0001333800000000,  0.0000000000000000, -0.0002205100000000 ]  - [  -0.0001926200000000,  0.0000000200000000, -0.0005215500000000 ]  - [   0.0000972800000000,  0.0000723000000000, -0.0006332100000000 ]  - [   0.0000972900000000, -0.0000721500000000, -0.0004103300000000 ]  - [  -0.0001926200000000, -0.0000000200000000, -0.0005215500000000 ]  - [   0.0000972800000000, -0.0000723000000000, -0.0006332100000000 ]  - [   0.0000972900000000,  0.0000721500000000, -0.0004103300000000 ]  - [   0.0012326000000000,  0.0035632600000000, -0.0027330200000000 ]  - [   0.0008164600000000,  0.0000002100000000,  0.0005212700000000 ]  - [   0.0012244700000000, -0.0035327600000000,  0.0037490200000000 ]  - [  -0.0001198100000000,  0.0000000000000000,  0.0004852900000000 ]  - [   0.0002534300000000,  0.0000000000000000,  0.0005215300000000 ]  - [  -0.0001193100000000,  0.0000000000000000,  0.0005579500000000 ]  - [   0.0012326000000000, -0.0035632600000000, -0.0027330200000000 ]  - [   0.0008164600000000, -0.0000002100000000,  0.0005212700000000 ]  - [   0.0012244700000000,  0.0035327600000000,  0.0037490200000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000572200000000,  0.0000000000000000,  0.0053810100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002569000000000 ]  - [   0.0000572200000000,  0.0000000000000000,  0.0053810100000000 ]  - [   0.0000007100000000,  0.0000002400000000,  0.0004214000000000 ]  - [   0.0000000000000000,  0.0000002400000000,  0.0001742900000000 ]  - [  -0.0000007100000000,  0.0000002400000000,  0.0004214000000000 ]  - [   0.0000007100000000, -0.0000002400000000,  0.0004214000000000 ]  - [   0.0000000000000000, -0.0000002400000000,  0.0001742900000000 ]  - [  -0.0000007100000000, -0.0000002400000000,  0.0004214000000000 ]  - [   0.0000000000000000, -0.0000572200000000,  0.0053810100000000 ]  - [   0.0000002400000000,  0.0000007100000000,  0.0004214000000000 ]  - [  -0.0000002400000000,  0.0000007100000000,  0.0004214000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002569000000000 ]  - [   0.0000002400000000,  0.0000000000000000,  0.0001742900000000 ]  - [  -0.0000002400000000,  0.0000000000000000,  0.0001742900000000 ]  - [   0.0000000000000000,  0.0000572200000000,  0.0053810100000000 ]  - [   0.0000002400000000, -0.0000007100000000,  0.0004214000000000 ]  - [  -0.0000002400000000, -0.0000007100000000,  0.0004214000000000 ]  - [  -0.0003905500000000, -0.0003905500000000, -0.0001889800000000 ]  - [   0.0000000000000000, -0.0000241200000000,  0.0005322600000000 ]  - [   0.0003905500000000, -0.0003905500000000, -0.0001889800000000 ]  - [  -0.0000241200000000,  0.0000000000000000,  0.0005322600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005650600000000 ]  - [   0.0000241200000000,  0.0000000000000000,  0.0005322600000000 ]  - [  -0.0003905500000000,  0.0003905500000000, -0.0001889800000000 ]  - [   0.0000000000000000,  0.0000241200000000,  0.0005322600000000 ]  - [   0.0003905500000000,  0.0003905500000000, -0.0001889800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0150137000000000 ]  - [  -0.0002546800000000,  0.0000000000000000, -0.0000996600000000 ]  - [   0.0002546800000000,  0.0000000000000000, -0.0000996600000000 ]  - [   0.0000000000000000, -0.0002546800000000, -0.0000996600000000 ]  - [  -0.0002140100000000, -0.0002140100000000, -0.0005017400000000 ]  - [   0.0002140100000000, -0.0002140100000000, -0.0005017400000000 ]  - [   0.0000000000000000,  0.0002546800000000, -0.0000996600000000 ]  - [  -0.0002140100000000,  0.0002140100000000, -0.0005017400000000 ]  - [   0.0002140100000000,  0.0002140100000000, -0.0005017400000000 ]  - [   0.0000000000000000,  0.0000002500000000, -0.0006238400000000 ]  - [   0.0000001300000000,  0.0000001100000000, -0.0002981300000000 ]  - [  -0.0000001300000000,  0.0000001100000000, -0.0002981300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001471600000000 ]  - [   0.0000001100000000,  0.0000000000000000, -0.0001006900000000 ]  - [  -0.0000001100000000,  0.0000000000000000, -0.0001006900000000 ]  - [   0.0000000000000000, -0.0000002500000000, -0.0006238400000000 ]  - [   0.0000001300000000, -0.0000001100000000, -0.0002981300000000 ]  - [  -0.0000001300000000, -0.0000001100000000, -0.0002981300000000 ]  - [   0.0000002500000000,  0.0000000000000000, -0.0006238400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001471600000000 ]  - [  -0.0000002500000000,  0.0000000000000000, -0.0006238400000000 ]  - [   0.0000001100000000,  0.0000001300000000, -0.0002981300000000 ]  - [   0.0000000000000000,  0.0000001100000000, -0.0001006900000000 ]  - [  -0.0000001100000000,  0.0000001300000000, -0.0002981300000000 ]  - [   0.0000001100000000, -0.0000001300000000, -0.0002981300000000 ]  - [   0.0000000000000000, -0.0000001100000000, -0.0001006900000000 ]  - [  -0.0000001100000000, -0.0000001300000000, -0.0002981300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0152153300000000 ]  - [   0.0002549400000000,  0.0000000000000000,  0.0012141600000000 ]  - [  -0.0002549400000000,  0.0000000000000000,  0.0012141600000000 ]  - [   0.0000000000000000,  0.0002549400000000,  0.0012141600000000 ]  - [   0.0002129100000000,  0.0002129100000000,  0.0008151100000000 ]  - [  -0.0002129100000000,  0.0002129100000000,  0.0008151100000000 ]  - [   0.0000000000000000, -0.0002549400000000,  0.0012141600000000 ]  - [   0.0002129100000000, -0.0002129100000000,  0.0008151100000000 ]  - [  -0.0002129100000000, -0.0002129100000000,  0.0008151100000000 ]  - [   0.0003911600000000,  0.0003911600000000, -0.0015049700000000 ]  - [   0.0000000000000000,  0.0000243500000000, -0.0007844200000000 ]  - [  -0.0003911600000000,  0.0003911600000000, -0.0015049700000000 ]  - [   0.0000243500000000,  0.0000000000000000, -0.0007844200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007512900000000 ]  - [  -0.0000243500000000,  0.0000000000000000, -0.0007844200000000 ]  - [   0.0003911600000000, -0.0003911600000000, -0.0015049700000000 ]  - [   0.0000000000000000, -0.0000243500000000, -0.0007844200000000 ]  - [  -0.0003911600000000, -0.0003911600000000, -0.0015049700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0660231100000000 ]  - [  -0.0000010900000000,  0.0000000000000000, -0.0002954700000000 ]  - [   0.0000010900000000,  0.0000000000000000, -0.0002954700000000 ]  - [   0.0000000000000000, -0.0000010900000000, -0.0002954700000000 ]  - [  -0.0000001900000000, -0.0000001900000000, -0.0004889100000000 ]  - [   0.0000001900000000, -0.0000001900000000, -0.0004889100000000 ]  - [   0.0000000000000000,  0.0000010900000000, -0.0002954700000000 ]  - [  -0.0000001900000000,  0.0000001900000000, -0.0004889100000000 ]  - [   0.0000001900000000,  0.0000001900000000, -0.0004889100000000 ]  - [  -0.0000003200000000, -0.0000003200000000,  0.0012918300000000 ]  - [   0.0000000000000000, -0.0000000400000000,  0.0002116700000000 ]  - [   0.0000003200000000, -0.0000003200000000,  0.0012918300000000 ]  - [  -0.0000000400000000,  0.0000000000000000,  0.0002116700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002039000000000 ]  - [   0.0000000400000000,  0.0000000000000000,  0.0002116700000000 ]  - [  -0.0000003200000000,  0.0000003200000000,  0.0012918300000000 ]  - [   0.0000000000000000,  0.0000000400000000,  0.0002116700000000 ]  - [   0.0000003200000000,  0.0000003200000000,  0.0012918300000000 ]  - [   0.0034153500000000,  0.0034153500000000,  0.0004327100000000 ]  - [   0.0000000000000000,  0.0000346700000000, -0.0005901400000000 ]  - [  -0.0034153500000000,  0.0034153500000000,  0.0004327100000000 ]  - [   0.0000346700000000,  0.0000000000000000, -0.0005901400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005783300000000 ]  - [  -0.0000346700000000,  0.0000000000000000, -0.0005901400000000 ]  - [   0.0034153500000000, -0.0034153500000000,  0.0004327100000000 ]  - [   0.0000000000000000, -0.0000346700000000, -0.0005901400000000 ]  - [  -0.0034153500000000, -0.0034153500000000,  0.0004327100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024332500000000 ]  - [   0.0004280000000000,  0.0000000000000000,  0.0008555000000000 ]  - [  -0.0004280000000000,  0.0000000000000000,  0.0008555000000000 ]  - [   0.0000000000000000,  0.0004280000000000,  0.0008555000000000 ]  - [   0.0001074700000000,  0.0001074700000000,  0.0006474500000000 ]  - [  -0.0001074700000000,  0.0001074700000000,  0.0006474500000000 ]  - [   0.0000000000000000, -0.0004280000000000,  0.0008555000000000 ]  - [   0.0001074700000000, -0.0001074700000000,  0.0006474500000000 ]  - [  -0.0001074700000000, -0.0001074700000000,  0.0006474500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013875600000000 ]  - [  -0.0004283400000000,  0.0000000000000000, -0.0001880400000000 ]  - [   0.0004283400000000,  0.0000000000000000, -0.0001880400000000 ]  - [   0.0000000000000000, -0.0004283400000000, -0.0001880400000000 ]  - [  -0.0001075500000000, -0.0001075500000000, -0.0003963000000000 ]  - [   0.0001075500000000, -0.0001075500000000, -0.0003963000000000 ]  - [   0.0000000000000000,  0.0004283400000000, -0.0001880400000000 ]  - [  -0.0001075500000000,  0.0001075500000000, -0.0003963000000000 ]  - [   0.0001075500000000,  0.0001075500000000, -0.0003963000000000 ]  - [  -0.0033882500000000, -0.0033882500000000,  0.0014702100000000 ]  - [   0.0000000000000000, -0.0000351100000000,  0.0004528600000000 ]  - [   0.0033882500000000, -0.0033882500000000,  0.0014702100000000 ]  - [  -0.0000351100000000,  0.0000000000000000,  0.0004528600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004646800000000 ]  - [   0.0000351100000000,  0.0000000000000000,  0.0004528600000000 ]  - [  -0.0033882500000000,  0.0033882500000000,  0.0014702100000000 ]  - [   0.0000000000000000,  0.0000351100000000,  0.0004528600000000 ]  - [   0.0033882500000000,  0.0033882500000000,  0.0014702100000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0023990300000000,  0.0000047200000000,  0.0000032000000000 ]  - [  -0.0004894700000000,  0.0001770400000000,  0.0001728800000000 ]  - [  -0.0004928800000000, -0.0001770900000000, -0.0001733800000000 ]  - [   0.0023990300000000, -0.0000047200000000,  0.0000032000000000 ]  - [  -0.0004894700000000, -0.0001770400000000,  0.0001728800000000 ]  - [  -0.0004928800000000,  0.0001770900000000, -0.0001733800000000 ]  - [   0.0002942800000000,  0.0000000000000000, -0.0000001600000000 ]  - [  -0.0001432700000000,  0.0000000000000000,  0.0000367100000000 ]  - [  -0.0001435700000000,  0.0000000000000000, -0.0000367600000000 ]  - [   0.0010889000000000,  0.0000000000000000, -0.0003851100000000 ]  - [   0.0011533800000000,  0.0000000000000000,  0.0003315600000000 ]  - [  -0.0004434600000000,  0.0000000000000000,  0.0000010800000000 ]  - [   0.0001655400000000,  0.0003128400000000, -0.0002205300000000 ]  - [   0.0001657700000000, -0.0003127700000000,  0.0002198800000000 ]  - [  -0.0002245400000000, -0.0000001300000000,  0.0000001900000000 ]  - [   0.0001655400000000, -0.0003128400000000, -0.0002205300000000 ]  - [   0.0001657700000000,  0.0003127700000000,  0.0002198800000000 ]  - [  -0.0002245400000000,  0.0000001300000000,  0.0000001900000000 ]  - [   0.0013816000000000,  0.0000000000000000,  0.0006573100000000 ]  - [  -0.0005057900000000,  0.0000000000000000,  0.0000759100000000 ]  - [  -0.0005024700000000,  0.0000000000000000,  0.0012350800000000 ]  - [   0.0002942000000000,  0.0000002300000000,  0.0006588300000000 ]  - [  -0.0001369300000000, -0.0001022600000000,  0.0005175800000000 ]  - [  -0.0001371900000000,  0.0001017200000000,  0.0007996600000000 ]  - [   0.0002942000000000, -0.0000002300000000,  0.0006588300000000 ]  - [  -0.0001369300000000,  0.0001022600000000,  0.0005175800000000 ]  - [  -0.0001371900000000, -0.0001017200000000,  0.0007996600000000 ]  - [   0.0012829800000000, -0.0002356100000000, -0.0004381400000000 ]  - [   0.0013420800000000,  0.0001816600000000, -0.0008905900000000 ]  - [  -0.0005309000000000,  0.0000014500000000, -0.0006576100000000 ]  - [   0.0012829800000000,  0.0002356100000000, -0.0004381400000000 ]  - [   0.0013420800000000, -0.0001816600000000, -0.0008905900000000 ]  - [  -0.0005309000000000, -0.0000014500000000, -0.0006576100000000 ]  - [   0.0001197400000000,  0.0000000000000000, -0.0006825100000000 ]  - [   0.0001200000000000,  0.0000000000000000, -0.0006341600000000 ]  - [  -0.0002328500000000,  0.0000000000000000, -0.0006582500000000 ]  - [   0.0001905800000000,  0.0000000000000000,  0.0000861800000000 ]  - [   0.0001934200000000,  0.0000000000000000, -0.0000859500000000 ]  - [  -0.0003207400000000,  0.0000000000000000, -0.0000008200000000 ]  - [   0.0000816700000000,  0.0000630500000000,  0.0000600100000000 ]  - [   0.0000821900000000, -0.0000633100000000, -0.0000601700000000 ]  - [  -0.0001651300000000, -0.0000001800000000, -0.0000000700000000 ]  - [   0.0000816700000000, -0.0000630500000000,  0.0000600100000000 ]  - [   0.0000821900000000,  0.0000633100000000, -0.0000601700000000 ]  - [  -0.0001651300000000,  0.0000001800000000, -0.0000000700000000 ]  - [   0.0001728100000000, -0.0000006800000000,  0.0000003800000000 ]  - [  -0.0000937200000000,  0.0000755600000000, -0.0001157600000000 ]  - [  -0.0000939900000000, -0.0000745800000000,  0.0001148700000000 ]  - [   0.0001728100000000,  0.0000006800000000,  0.0000003800000000 ]  - [  -0.0000937200000000, -0.0000755600000000, -0.0001157600000000 ]  - [  -0.0000939900000000,  0.0000745800000000,  0.0001148700000000 ]  - [   0.0000793500000000,  0.0000000000000000,  0.0000000500000000 ]  - [  -0.0000407200000000,  0.0000000000000000, -0.0000394500000000 ]  - [  -0.0000408100000000,  0.0000000000000000,  0.0000393800000000 ]  - [   0.0002210800000000, -0.0002554600000000,  0.0004266400000000 ]  - [   0.0002214500000000,  0.0002556100000000,  0.0008904400000000 ]  - [  -0.0002566300000000,  0.0000002000000000,  0.0006583300000000 ]  - [   0.0002210800000000,  0.0002554600000000,  0.0004266400000000 ]  - [   0.0002214500000000, -0.0002556100000000,  0.0008904400000000 ]  - [  -0.0002566300000000, -0.0000002000000000,  0.0006583300000000 ]  - [   0.0000492800000000,  0.0000000000000000,  0.0005764000000000 ]  - [   0.0000494000000000,  0.0000000000000000,  0.0007400500000000 ]  - [  -0.0001067900000000,  0.0000000000000000,  0.0006583600000000 ]  - [   0.0001155700000000,  0.0000000000000000, -0.0006585900000000 ]  - [  -0.0000559000000000,  0.0000000000000000, -0.0006240400000000 ]  - [  -0.0000564100000000,  0.0000000000000000, -0.0006934400000000 ]  - [   0.0000915800000000,  0.0000000400000000, -0.0006584900000000 ]  - [  -0.0000430600000000, -0.0000208600000000, -0.0006560800000000 ]  - [  -0.0000432100000000,  0.0000206900000000, -0.0006612200000000 ]  - [   0.0000915800000000, -0.0000000400000000, -0.0006584900000000 ]  - [  -0.0000430600000000,  0.0000208600000000, -0.0006560800000000 ]  - [  -0.0000432100000000, -0.0000206900000000, -0.0006612200000000 ]  - [   0.0012230800000000,  0.0035340900000000,  0.0033897800000000 ]  - [   0.0012331900000000, -0.0035623000000000, -0.0034138400000000 ]  - [   0.0008165600000000, -0.0000008000000000, -0.0000013700000000 ]  - [   0.0012230800000000, -0.0035340900000000,  0.0033897800000000 ]  - [   0.0012331900000000,  0.0035623000000000, -0.0034138400000000 ]  - [   0.0008165600000000,  0.0000008000000000, -0.0000013700000000 ]  - [  -0.0001198000000000,  0.0000000000000000,  0.0000348800000000 ]  - [  -0.0001200300000000,  0.0000000000000000, -0.0000347600000000 ]  - [   0.0002526000000000,  0.0000000000000000,  0.0000003500000000 ]  - [  -0.0002301100000000,  0.0000000000000000, -0.0000027400000000 ]  - [   0.0001320500000000,  0.0000000000000000,  0.0004304700000000 ]  - [   0.0001337700000000,  0.0000000000000000, -0.0004258900000000 ]  - [  -0.0001933800000000, -0.0000002200000000, -0.0000001100000000 ]  - [   0.0000967300000000,  0.0000727000000000,  0.0001075400000000 ]  - [   0.0000967500000000, -0.0000718500000000, -0.0001072300000000 ]  - [  -0.0001933800000000,  0.0000002200000000, -0.0000001100000000 ]  - [   0.0000967300000000, -0.0000727000000000,  0.0001075400000000 ]  - [   0.0000967500000000,  0.0000718500000000, -0.0001072300000000 ]  - [  -0.0232780800000000,  0.0000000000000000, -0.0004008900000000 ]  - [   0.0030063800000000,  0.0000000000000000, -0.0007275800000000 ]  - [   0.0029725700000000,  0.0000000000000000, -0.0003216700000000 ]  - [  -0.0008072200000000, -0.0000035600000000, -0.0005213300000000 ]  - [   0.0003073900000000,  0.0002412600000000, -0.0005456200000000 ]  - [   0.0003088200000000, -0.0002417100000000, -0.0004981800000000 ]  - [  -0.0008072200000000,  0.0000035600000000, -0.0005213300000000 ]  - [   0.0003073900000000, -0.0002412600000000, -0.0005456200000000 ]  - [   0.0003088200000000,  0.0002417100000000, -0.0004981800000000 ]  - [   0.0001462300000000,  0.0008892100000000, -0.0008230400000000 ]  - [   0.0001413800000000, -0.0008942400000000,  0.0018698700000000 ]  - [   0.0003822000000000, -0.0000009300000000,  0.0005217800000000 ]  - [   0.0001462300000000, -0.0008892100000000, -0.0008230400000000 ]  - [   0.0001413800000000,  0.0008942400000000,  0.0018698700000000 ]  - [   0.0003822000000000,  0.0000009300000000,  0.0005217800000000 ]  - [  -0.0000772400000000,  0.0000000000000000,  0.0004367700000000 ]  - [  -0.0000775200000000,  0.0000000000000000,  0.0006058400000000 ]  - [   0.0001570200000000,  0.0000000000000000,  0.0005213300000000 ]  - [  -0.0000514900000000,  0.0000128500000000, -0.0005107700000000 ]  - [  -0.0000518000000000, -0.0000128900000000, -0.0005319800000000 ]  - [   0.0001132600000000, -0.0000000900000000, -0.0005212000000000 ]  - [  -0.0000514900000000, -0.0000128500000000, -0.0005107700000000 ]  - [  -0.0000518000000000,  0.0000128900000000, -0.0005319800000000 ]  - [   0.0001132600000000,  0.0000000900000000, -0.0005212000000000 ]  - [  -0.0000359900000000,  0.0000000000000000, -0.0005151600000000 ]  - [  -0.0000362400000000,  0.0000000000000000, -0.0005275400000000 ]  - [   0.0000725000000000,  0.0000000000000000, -0.0005213400000000 ]  - [  -0.0008542700000000,  0.0000000000000000,  0.0005243500000000 ]  - [   0.0003068300000000,  0.0000000000000000,  0.0002781300000000 ]  - [   0.0003080600000000,  0.0000000000000000,  0.0007664200000000 ]  - [  -0.0001604800000000, -0.0000000600000000,  0.0005217800000000 ]  - [   0.0001042000000000,  0.0000625500000000,  0.0004435500000000 ]  - [   0.0001042300000000, -0.0000623800000000,  0.0005996100000000 ]  - [  -0.0001604800000000,  0.0000000600000000,  0.0005217800000000 ]  - [   0.0001042000000000, -0.0000625500000000,  0.0004435500000000 ]  - [   0.0001042300000000,  0.0000623800000000,  0.0005996100000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0002839800000000,  0.0011922100000000 ]  - [   0.0002083000000000, -0.0001740900000000,  0.0001856800000000 ]  - [  -0.0002083000000000, -0.0001740900000000,  0.0001856800000000 ]  - [   0.0000000000000000,  0.0002839800000000,  0.0011922100000000 ]  - [   0.0002083000000000,  0.0001740900000000,  0.0001856800000000 ]  - [  -0.0002083000000000,  0.0001740900000000,  0.0001856800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000743700000000 ]  - [   0.0000623300000000,  0.0000000000000000,  0.0000333400000000 ]  - [  -0.0000623300000000,  0.0000000000000000,  0.0000333400000000 ]  - [  -0.0002839800000000,  0.0000000000000000,  0.0011922100000000 ]  - [   0.0002839800000000,  0.0000000000000000,  0.0011922100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000743700000000 ]  - [  -0.0001740900000000,  0.0002083000000000,  0.0001856800000000 ]  - [   0.0001740900000000,  0.0002083000000000,  0.0001856800000000 ]  - [   0.0000000000000000,  0.0000623300000000,  0.0000333400000000 ]  - [  -0.0001740900000000, -0.0002083000000000,  0.0001856800000000 ]  - [   0.0001740900000000, -0.0002083000000000,  0.0001856800000000 ]  - [   0.0000000000000000, -0.0000623300000000,  0.0000333400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030595900000000 ]  - [  -0.0004177000000000,  0.0000000000000000,  0.0005950400000000 ]  - [   0.0004177000000000,  0.0000000000000000,  0.0005950400000000 ]  - [   0.0000000000000000, -0.0004177000000000,  0.0005950400000000 ]  - [  -0.0001013900000000, -0.0001013900000000,  0.0007685600000000 ]  - [   0.0001013900000000, -0.0001013900000000,  0.0007685600000000 ]  - [   0.0000000000000000,  0.0004177000000000,  0.0005950400000000 ]  - [  -0.0001013900000000,  0.0001013900000000,  0.0007685600000000 ]  - [   0.0001013900000000,  0.0001013900000000,  0.0007685600000000 ]  - [  -0.0002399800000000, -0.0002399800000000,  0.0013725900000000 ]  - [   0.0002399800000000, -0.0002399800000000,  0.0013725900000000 ]  - [   0.0000000000000000,  0.0000023000000000, -0.0004179400000000 ]  - [  -0.0002399800000000,  0.0002399800000000,  0.0013725900000000 ]  - [   0.0002399800000000,  0.0002399800000000,  0.0013725900000000 ]  - [   0.0000000000000000, -0.0000023000000000, -0.0004179400000000 ]  - [   0.0000023000000000,  0.0000000000000000, -0.0004179400000000 ]  - [  -0.0000023000000000,  0.0000000000000000, -0.0004179400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005155400000000 ]  - [   0.0004237300000000,  0.0000000000000000, -0.0004961700000000 ]  - [  -0.0004237300000000,  0.0000000000000000, -0.0004961700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001317300000000 ]  - [   0.0001060300000000, -0.0001167600000000, -0.0001415300000000 ]  - [  -0.0001060300000000, -0.0001167600000000, -0.0001415300000000 ]  - [   0.0000000000000000, -0.0000375000000000, -0.0000490600000000 ]  - [   0.0001060300000000,  0.0001167600000000, -0.0001415300000000 ]  - [  -0.0001060300000000,  0.0001167600000000, -0.0001415300000000 ]  - [   0.0000000000000000,  0.0000375000000000, -0.0000490600000000 ]  - [   0.0000000000000000,  0.0004237300000000, -0.0004961700000000 ]  - [  -0.0001167600000000,  0.0001060300000000, -0.0001415300000000 ]  - [   0.0001167600000000,  0.0001060300000000, -0.0001415300000000 ]  - [   0.0000000000000000, -0.0004237300000000, -0.0004961700000000 ]  - [  -0.0001167600000000, -0.0001060300000000, -0.0001415300000000 ]  - [   0.0001167600000000, -0.0001060300000000, -0.0001415300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001317300000000 ]  - [  -0.0000375000000000,  0.0000000000000000, -0.0000490600000000 ]  - [   0.0000375000000000,  0.0000000000000000, -0.0000490600000000 ]  - [  -0.0002122600000000, -0.0002122600000000,  0.0002811400000000 ]  - [   0.0002122600000000, -0.0002122600000000,  0.0002811400000000 ]  - [   0.0000000000000000, -0.0000502500000000,  0.0005349500000000 ]  - [  -0.0002122600000000,  0.0002122600000000,  0.0002811400000000 ]  - [   0.0002122600000000,  0.0002122600000000,  0.0002811400000000 ]  - [   0.0000000000000000,  0.0000502500000000,  0.0005349500000000 ]  - [  -0.0000502500000000,  0.0000000000000000,  0.0005349500000000 ]  - [   0.0000502500000000,  0.0000000000000000,  0.0005349500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005611300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012920800000000 ]  - [  -0.0000564700000000,  0.0000000000000000, -0.0009970500000000 ]  - [   0.0000564700000000,  0.0000000000000000, -0.0009970500000000 ]  - [   0.0000000000000000, -0.0000564700000000, -0.0009970500000000 ]  - [  -0.0000117100000000, -0.0000117100000000, -0.0008588400000000 ]  - [   0.0000117100000000, -0.0000117100000000, -0.0008588400000000 ]  - [   0.0000000000000000,  0.0000564700000000, -0.0009970500000000 ]  - [  -0.0000117100000000,  0.0000117100000000, -0.0008588400000000 ]  - [   0.0000117100000000,  0.0000117100000000, -0.0008588400000000 ]  - [   0.0032308700000000,  0.0032308700000000,  0.0009465400000000 ]  - [  -0.0032308700000000,  0.0032308700000000,  0.0009465400000000 ]  - [   0.0000000000000000,  0.0000363400000000, -0.0000712600000000 ]  - [   0.0032308700000000, -0.0032308700000000,  0.0009465400000000 ]  - [  -0.0032308700000000, -0.0032308700000000,  0.0009465400000000 ]  - [   0.0000000000000000, -0.0000363400000000, -0.0000712600000000 ]  - [   0.0000363400000000,  0.0000000000000000, -0.0000712600000000 ]  - [  -0.0000363400000000,  0.0000000000000000, -0.0000712600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000592000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019018400000000 ]  - [   0.0003013600000000,  0.0000000000000000,  0.0003324900000000 ]  - [  -0.0003013600000000,  0.0000000000000000,  0.0003324900000000 ]  - [   0.0000000000000000,  0.0003013600000000,  0.0003324900000000 ]  - [   0.0001115700000000,  0.0001115700000000,  0.0001242500000000 ]  - [  -0.0001115700000000,  0.0001115700000000,  0.0001242500000000 ]  - [   0.0000000000000000, -0.0003013600000000,  0.0003324900000000 ]  - [   0.0001115700000000, -0.0001115700000000,  0.0001242500000000 ]  - [  -0.0001115700000000, -0.0001115700000000,  0.0001242500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0247699500000000 ]  - [   0.0002002600000000,  0.0000000000000000, -0.0013570100000000 ]  - [  -0.0002002600000000,  0.0000000000000000, -0.0013570100000000 ]  - [   0.0000000000000000,  0.0002002600000000, -0.0013570100000000 ]  - [   0.0000236300000000,  0.0000236300000000, -0.0006975500000000 ]  - [  -0.0000236300000000,  0.0000236300000000, -0.0006975500000000 ]  - [   0.0000000000000000, -0.0002002600000000, -0.0013570100000000 ]  - [   0.0000236300000000, -0.0000236300000000, -0.0006975500000000 ]  - [  -0.0000236300000000, -0.0000236300000000, -0.0006975500000000 ]  - [  -0.0013513900000000, -0.0013513900000000,  0.0016815000000000 ]  - [   0.0013513900000000, -0.0013513900000000,  0.0016815000000000 ]  - [   0.0000000000000000, -0.0000846600000000,  0.0003908500000000 ]  - [  -0.0013513900000000,  0.0013513900000000,  0.0016815000000000 ]  - [   0.0013513900000000,  0.0013513900000000,  0.0016815000000000 ]  - [   0.0000000000000000,  0.0000846600000000,  0.0003908500000000 ]  - [  -0.0000846600000000,  0.0000000000000000,  0.0003908500000000 ]  - [   0.0000846600000000,  0.0000000000000000,  0.0003908500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004277400000000 ]  - [  -0.0000108100000000, -0.0000108100000000, -0.0001460900000000 ]  - [   0.0000108100000000, -0.0000108100000000, -0.0001460900000000 ]  - [   0.0000000000000000, -0.0000061600000000, -0.0003280100000000 ]  - [  -0.0000108100000000,  0.0000108100000000, -0.0001460900000000 ]  - [   0.0000108100000000,  0.0000108100000000, -0.0001460900000000 ]  - [   0.0000000000000000,  0.0000061600000000, -0.0003280100000000 ]  - [  -0.0000061600000000,  0.0000000000000000, -0.0003280100000000 ]  - [   0.0000061600000000,  0.0000000000000000, -0.0003280100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003958900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036203500000000 ]  - [  -0.0002452000000000,  0.0000000000000000,  0.0008100200000000 ]  - [   0.0002452000000000,  0.0000000000000000,  0.0008100200000000 ]  - [   0.0000000000000000, -0.0002452000000000,  0.0008100200000000 ]  - [  -0.0000780000000000, -0.0000780000000000,  0.0006613700000000 ]  - [   0.0000780000000000, -0.0000780000000000,  0.0006613700000000 ]  - [   0.0000000000000000,  0.0002452000000000,  0.0008100200000000 ]  - [  -0.0000780000000000,  0.0000780000000000,  0.0006613700000000 ]  - [   0.0000780000000000,  0.0000780000000000,  0.0006613700000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0002267600000000, -0.0012523100000000 ]  - [  -0.0002077000000000,  0.0001733700000000, -0.0001859000000000 ]  - [   0.0002077000000000,  0.0001733700000000, -0.0001859000000000 ]  - [   0.0000000000000000, -0.0002267600000000, -0.0012523100000000 ]  - [  -0.0002077000000000, -0.0001733700000000, -0.0001859000000000 ]  - [   0.0002077000000000, -0.0001733700000000, -0.0001859000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000742000000000 ]  - [  -0.0000620700000000,  0.0000000000000000, -0.0000331000000000 ]  - [   0.0000620700000000,  0.0000000000000000, -0.0000331000000000 ]  - [   0.0002267600000000,  0.0000000000000000, -0.0012523100000000 ]  - [  -0.0002267600000000,  0.0000000000000000, -0.0012523100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000742000000000 ]  - [   0.0001733700000000, -0.0002077000000000, -0.0001859000000000 ]  - [  -0.0001733700000000, -0.0002077000000000, -0.0001859000000000 ]  - [   0.0000000000000000, -0.0000620700000000, -0.0000331000000000 ]  - [   0.0001733700000000,  0.0002077000000000, -0.0001859000000000 ]  - [  -0.0001733700000000,  0.0002077000000000, -0.0001859000000000 ]  - [   0.0000000000000000,  0.0000620700000000, -0.0000331000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015424800000000 ]  - [   0.0004150500000000,  0.0000000000000000,  0.0007214700000000 ]  - [  -0.0004150500000000,  0.0000000000000000,  0.0007214700000000 ]  - [   0.0000000000000000,  0.0004150500000000,  0.0007214700000000 ]  - [   0.0001006700000000,  0.0001006700000000,  0.0005489900000000 ]  - [  -0.0001006700000000,  0.0001006700000000,  0.0005489900000000 ]  - [   0.0000000000000000, -0.0004150500000000,  0.0007214700000000 ]  - [   0.0001006700000000, -0.0001006700000000,  0.0005489900000000 ]  - [  -0.0001006700000000, -0.0001006700000000,  0.0005489900000000 ]  - [   0.0002474800000000,  0.0002474800000000, -0.0026899600000000 ]  - [  -0.0002474800000000,  0.0002474800000000, -0.0026899600000000 ]  - [   0.0000000000000000, -0.0000025600000000, -0.0008979900000000 ]  - [   0.0002474800000000, -0.0002474800000000, -0.0026899600000000 ]  - [  -0.0002474800000000, -0.0002474800000000, -0.0026899600000000 ]  - [   0.0000000000000000,  0.0000025600000000, -0.0008979900000000 ]  - [  -0.0000025600000000,  0.0000000000000000, -0.0008979900000000 ]  - [   0.0000025600000000,  0.0000000000000000, -0.0008979900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008006900000000 ]  - [  -0.0004251200000000,  0.0000000000000000,  0.0004957700000000 ]  - [   0.0004251200000000,  0.0000000000000000,  0.0004957700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001310100000000 ]  - [  -0.0001057800000000,  0.0001162400000000,  0.0001406000000000 ]  - [   0.0001057800000000,  0.0001162400000000,  0.0001406000000000 ]  - [   0.0000000000000000,  0.0000373100000000,  0.0000488200000000 ]  - [  -0.0001057800000000, -0.0001162400000000,  0.0001406000000000 ]  - [   0.0001057800000000, -0.0001162400000000,  0.0001406000000000 ]  - [   0.0000000000000000, -0.0000373100000000,  0.0000488200000000 ]  - [   0.0000000000000000, -0.0004251200000000,  0.0004957700000000 ]  - [   0.0001162400000000, -0.0001057800000000,  0.0001406000000000 ]  - [  -0.0001162400000000, -0.0001057800000000,  0.0001406000000000 ]  - [   0.0000000000000000,  0.0004251200000000,  0.0004957700000000 ]  - [   0.0001162400000000,  0.0001057800000000,  0.0001406000000000 ]  - [  -0.0001162400000000,  0.0001057800000000,  0.0001406000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001310100000000 ]  - [   0.0000373100000000,  0.0000000000000000,  0.0000488200000000 ]  - [  -0.0000373100000000,  0.0000000000000000,  0.0000488200000000 ]  - [   0.0002115500000000,  0.0002115500000000,  0.0010319400000000 ]  - [  -0.0002115500000000,  0.0002115500000000,  0.0010319400000000 ]  - [   0.0000000000000000,  0.0000500900000000,  0.0007815600000000 ]  - [   0.0002115500000000, -0.0002115500000000,  0.0010319400000000 ]  - [  -0.0002115500000000, -0.0002115500000000,  0.0010319400000000 ]  - [   0.0000000000000000, -0.0000500900000000,  0.0007815600000000 ]  - [   0.0000500900000000,  0.0000000000000000,  0.0007815600000000 ]  - [  -0.0000500900000000,  0.0000000000000000,  0.0007815600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007555300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000232000000000 ]  - [   0.0000565100000000,  0.0000000000000000, -0.0003209300000000 ]  - [  -0.0000565100000000,  0.0000000000000000, -0.0003209300000000 ]  - [   0.0000000000000000,  0.0000565100000000, -0.0003209300000000 ]  - [   0.0000116900000000,  0.0000116900000000, -0.0004590200000000 ]  - [  -0.0000116900000000,  0.0000116900000000, -0.0004590200000000 ]  - [   0.0000000000000000, -0.0000565100000000, -0.0003209300000000 ]  - [   0.0000116900000000, -0.0000116900000000, -0.0004590200000000 ]  - [  -0.0000116900000000, -0.0000116900000000, -0.0004590200000000 ]  - [  -0.0032511800000000, -0.0032511800000000, -0.0009518900000000 ]  - [   0.0032511800000000, -0.0032511800000000, -0.0009518900000000 ]  - [   0.0000000000000000, -0.0000360300000000,  0.0000709400000000 ]  - [  -0.0032511800000000,  0.0032511800000000, -0.0009518900000000 ]  - [   0.0032511800000000,  0.0032511800000000, -0.0009518900000000 ]  - [   0.0000000000000000,  0.0000360300000000,  0.0000709400000000 ]  - [  -0.0000360300000000,  0.0000000000000000,  0.0000709400000000 ]  - [   0.0000360300000000,  0.0000000000000000,  0.0000709400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000588700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019140200000000 ]  - [  -0.0003011900000000,  0.0000000000000000, -0.0003302200000000 ]  - [   0.0003011900000000,  0.0000000000000000, -0.0003302200000000 ]  - [   0.0000000000000000, -0.0003011900000000, -0.0003302200000000 ]  - [  -0.0001110500000000, -0.0001110500000000, -0.0001232100000000 ]  - [   0.0001110500000000, -0.0001110500000000, -0.0001232100000000 ]  - [   0.0000000000000000,  0.0003011900000000, -0.0003302200000000 ]  - [  -0.0001110500000000,  0.0001110500000000, -0.0001232100000000 ]  - [   0.0001110500000000,  0.0001110500000000, -0.0001232100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0238154100000000 ]  - [  -0.0002056300000000,  0.0000000000000000,  0.0003108100000000 ]  - [   0.0002056300000000,  0.0000000000000000,  0.0003108100000000 ]  - [   0.0000000000000000, -0.0002056300000000,  0.0003108100000000 ]  - [  -0.0000237400000000, -0.0000237400000000, -0.0003465800000000 ]  - [   0.0000237400000000, -0.0000237400000000, -0.0003465800000000 ]  - [   0.0000000000000000,  0.0002056300000000,  0.0003108100000000 ]  - [  -0.0000237400000000,  0.0000237400000000, -0.0003465800000000 ]  - [   0.0000237400000000,  0.0000237400000000, -0.0003465800000000 ]  - [   0.0013414100000000,  0.0013414100000000, -0.0006287600000000 ]  - [  -0.0013414100000000,  0.0013414100000000, -0.0006287600000000 ]  - [   0.0000000000000000,  0.0000842900000000,  0.0006517700000000 ]  - [   0.0013414100000000, -0.0013414100000000, -0.0006287600000000 ]  - [  -0.0013414100000000, -0.0013414100000000, -0.0006287600000000 ]  - [   0.0000000000000000, -0.0000842900000000,  0.0006517700000000 ]  - [   0.0000842900000000,  0.0000000000000000,  0.0006517700000000 ]  - [  -0.0000842900000000,  0.0000000000000000,  0.0006517700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006150800000000 ]  - [   0.0000104600000000,  0.0000104600000000, -0.0008958800000000 ]  - [  -0.0000104600000000,  0.0000104600000000, -0.0008958800000000 ]  - [   0.0000000000000000,  0.0000062400000000, -0.0007141400000000 ]  - [   0.0000104600000000, -0.0000104600000000, -0.0008958800000000 ]  - [  -0.0000104600000000, -0.0000104600000000, -0.0008958800000000 ]  - [   0.0000000000000000, -0.0000062400000000, -0.0007141400000000 ]  - [   0.0000062400000000,  0.0000000000000000, -0.0007141400000000 ]  - [  -0.0000062400000000,  0.0000000000000000, -0.0007141400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006463600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026122900000000 ]  - [   0.0002430800000000,  0.0000000000000000,  0.0002354500000000 ]  - [  -0.0002430800000000,  0.0000000000000000,  0.0002354500000000 ]  - [   0.0000000000000000,  0.0002430800000000,  0.0002354500000000 ]  - [   0.0000780000000000,  0.0000780000000000,  0.0003822300000000 ]  - [  -0.0000780000000000,  0.0000780000000000,  0.0003822300000000 ]  - [   0.0000000000000000, -0.0002430800000000,  0.0002354500000000 ]  - [   0.0000780000000000, -0.0000780000000000,  0.0003822300000000 ]  - [  -0.0000780000000000, -0.0000780000000000,  0.0003822300000000 ]