# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/92912f58-2e72-40c3-9598-3395019f1a78/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 Sr4P2O / I4/mmm (139) / materials id 8298](https://mdr.nims.go.jp/datasets/a4272d44-7c86-427a-98db-b8a41d6b24d1)

## 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:  - [    -2.385595695000000,     2.385595695000000,     7.923525445000000 ] # a  - [     2.385595695000000,    -2.385595695000000,     7.923525445000000 ] # b  - [     2.385595695000000,     2.385595695000000,    -7.923525445000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: P  # 2    coordinates: [  0.134960710000000,  0.134960710000000,  0.000000000000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.865039290000000,  0.865039290000000,  0.000000000000000 ]    mass: 30.973762  - symbol: Sr # 4    coordinates: [  0.324831520000000,  0.324831520000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 5    coordinates: [  0.675168480000000,  0.675168480000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 7    coordinates: [  0.500000000000000,  1.000000000000000,  0.500000000000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.209591256828622,     0.063103223870571 ] # a*  - [     0.209591256828622,     0.000000000000000,     0.063103223870571 ] # b*  - [     0.209591256828622,     0.209591256828622,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.771191390000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.771191390000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.847050890000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.134960710000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.365039290000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.634960710000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.865039290000000 ]    mass: 30.973762    reduced_to: 4  - symbol: Sr # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.324831520000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.175168480000000 ]    mass: 87.620000    reduced_to: 8  - symbol: Sr # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 10  - symbol: Sr # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.824831520000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.675168480000000 ]    mass: 87.620000    reduced_to: 8  - symbol: Sr # 13    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 9  - symbol: Sr # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 10supercell:  lattice:  - [    14.313574170000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.313574170000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.847050890000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.166666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.833333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.166666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 15    coordinates: [  0.833333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 16    coordinates: [  0.166666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 17    coordinates: [  0.500000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.833333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: P  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.134960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 28    coordinates: [  0.166666666666667,  0.166666666666667,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 29    coordinates: [  0.500000000000000,  0.166666666666667,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 30    coordinates: [  0.833333333333333,  0.166666666666667,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 31    coordinates: [  0.166666666666667,  0.500000000000000,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 33    coordinates: [  0.833333333333333,  0.500000000000000,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 34    coordinates: [  0.166666666666667,  0.833333333333333,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 35    coordinates: [  0.500000000000000,  0.833333333333333,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 36    coordinates: [  0.833333333333333,  0.833333333333333,  0.365039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 37    coordinates: [  0.166666666666667,  0.166666666666667,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 38    coordinates: [  0.500000000000000,  0.166666666666667,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 39    coordinates: [  0.833333333333333,  0.166666666666667,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 40    coordinates: [  0.166666666666667,  0.500000000000000,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 41    coordinates: [  0.500000000000000,  0.500000000000000,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 42    coordinates: [  0.833333333333333,  0.500000000000000,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 43    coordinates: [  0.166666666666667,  0.833333333333333,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 44    coordinates: [  0.500000000000000,  0.833333333333333,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 45    coordinates: [  0.833333333333333,  0.833333333333333,  0.634960710000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: P  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.865039290000000 ]    mass: 30.973762    reduced_to: 28  - symbol: Sr # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.324831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 64    coordinates: [  0.166666666666667,  0.166666666666667,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 65    coordinates: [  0.500000000000000,  0.166666666666667,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 66    coordinates: [  0.833333333333333,  0.166666666666667,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 67    coordinates: [  0.166666666666667,  0.500000000000000,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 69    coordinates: [  0.833333333333333,  0.500000000000000,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 70    coordinates: [  0.166666666666667,  0.833333333333333,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 71    coordinates: [  0.500000000000000,  0.833333333333333,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 72    coordinates: [  0.833333333333333,  0.833333333333333,  0.175168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 73    coordinates: [  0.000000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 74    coordinates: [  0.333333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 75    coordinates: [  0.666666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 76    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 77    coordinates: [  0.333333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 78    coordinates: [  0.666666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 79    coordinates: [  0.000000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 80    coordinates: [  0.333333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 81    coordinates: [  0.666666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 82    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 83    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 84    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 85    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 86    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 87    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 88    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 89    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 90    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 91    coordinates: [  0.166666666666667,  0.166666666666667,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 92    coordinates: [  0.500000000000000,  0.166666666666667,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 93    coordinates: [  0.833333333333333,  0.166666666666667,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 94    coordinates: [  0.166666666666667,  0.500000000000000,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 96    coordinates: [  0.833333333333333,  0.500000000000000,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 97    coordinates: [  0.166666666666667,  0.833333333333333,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 98    coordinates: [  0.500000000000000,  0.833333333333333,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 99    coordinates: [  0.833333333333333,  0.833333333333333,  0.824831520000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.675168480000000 ]    mass: 87.620000    reduced_to: 64  - symbol: Sr # 109    coordinates: [  0.166666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 110    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 111    coordinates: [  0.833333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 112    coordinates: [  0.166666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 113    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 114    coordinates: [  0.833333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 115    coordinates: [  0.166666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 116    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 117    coordinates: [  0.833333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 118    coordinates: [  0.166666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 119    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 120    coordinates: [  0.833333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 121    coordinates: [  0.166666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 122    coordinates: [  0.500000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 123    coordinates: [  0.833333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 124    coordinates: [  0.166666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 125    coordinates: [  0.500000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82  - symbol: Sr # 126    coordinates: [  0.833333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 87.620000    reduced_to: 82born_effective_charge:- # 1 (O)  - [ -3.224894730000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.224894730000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -2.750015210000000 ]- # 2 (P)  - [ -3.734710890000001, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.734710890000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -3.277759090000000 ]- # 3 (P)  - [ -3.734710890000001, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.734710890000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -3.277759090000000 ]- # 4 (Sr)  - [  2.657500770000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  2.657500770000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.362615800000000 ]- # 5 (Sr)  - [  2.657500770000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  2.657500770000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.362615800000000 ]- # 6 (Sr)  - [  3.048241680000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  2.331073290000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  2.290150890000000 ]- # 7 (Sr)  - [  2.331073290000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  3.048241680000001,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  2.290150890000000 ]dielectric_constant:  - [  9.545624040000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  9.545624040000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  7.456920160000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1039131000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0136279200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0134398800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002332800000000, -0.0000470000000000,  0.0000000000000000 ]  - [   0.0007945500000000,  0.0006833200000000,  0.0000000000000000 ]  - [   0.0007988200000000, -0.0006761200000000,  0.0000000000000000 ]  - [   0.0002332800000000,  0.0000470000000000,  0.0000000000000000 ]  - [   0.0007945500000000, -0.0006833200000000,  0.0000000000000000 ]  - [   0.0007988200000000,  0.0006761200000000,  0.0000000000000000 ]  - [  -0.0001632800000000,  0.0000689800000000,  0.0000000000000000 ]  - [   0.0003912300000000, -0.0000000100000000,  0.0000000000000000 ]  - [  -0.0001600100000000, -0.0000714100000000,  0.0000000000000000 ]  - [  -0.0001890600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003821300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001884400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001632800000000, -0.0000689800000000,  0.0000000000000000 ]  - [   0.0003912300000000,  0.0000000100000000,  0.0000000000000000 ]  - [  -0.0001600100000000,  0.0000714100000000,  0.0000000000000000 ]  - [  -0.0003325100000000,  0.0000000000000000, -0.0140157900000000 ]  - [   0.0003466900000000,  0.0000000000000000, -0.0143898100000000 ]  - [   0.0003492300000000,  0.0000000000000000, -0.0136663100000000 ]  - [  -0.0005065800000000, -0.0000004600000000, -0.0140271200000000 ]  - [   0.0002739400000000,  0.0001443200000000, -0.0142577900000000 ]  - [   0.0002747700000000, -0.0001441800000000, -0.0137959400000000 ]  - [  -0.0005065800000000,  0.0000004600000000, -0.0140271200000000 ]  - [   0.0002739400000000, -0.0001443200000000, -0.0142577900000000 ]  - [   0.0002747700000000,  0.0001441800000000, -0.0137959400000000 ]  - [   0.0007223700000000,  0.0032806700000000,  0.0115447300000000 ]  - [   0.0013792200000000,  0.0000037900000000,  0.0140233600000000 ]  - [   0.0007485600000000, -0.0032673300000000,  0.0165015600000000 ]  - [  -0.0002370200000000,  0.0000000000000000,  0.0138901400000000 ]  - [   0.0006353100000000,  0.0000000000000000,  0.0140262000000000 ]  - [  -0.0002336400000000,  0.0000000000000000,  0.0141669500000000 ]  - [   0.0007223700000000, -0.0032806700000000,  0.0115447300000000 ]  - [   0.0013792200000000, -0.0000037900000000,  0.0140233600000000 ]  - [   0.0007485600000000,  0.0032673300000000,  0.0165015600000000 ]  - [   0.0007223700000000,  0.0032806700000000, -0.0115447300000000 ]  - [   0.0013792200000000,  0.0000037900000000, -0.0140233600000000 ]  - [   0.0007485600000000, -0.0032673300000000, -0.0165015600000000 ]  - [  -0.0002370200000000,  0.0000000000000000, -0.0138901400000000 ]  - [   0.0006353100000000,  0.0000000000000000, -0.0140262000000000 ]  - [  -0.0002336400000000,  0.0000000000000000, -0.0141669500000000 ]  - [   0.0007223700000000, -0.0032806700000000, -0.0115447300000000 ]  - [   0.0013792200000000, -0.0000037900000000, -0.0140233600000000 ]  - [   0.0007485600000000,  0.0032673300000000, -0.0165015600000000 ]  - [  -0.0003325100000000,  0.0000000000000000,  0.0140157900000000 ]  - [   0.0003466900000000,  0.0000000000000000,  0.0143898100000000 ]  - [   0.0003492300000000,  0.0000000000000000,  0.0136663100000000 ]  - [  -0.0005065800000000, -0.0000004600000000,  0.0140271200000000 ]  - [   0.0002739400000000,  0.0001443200000000,  0.0142577900000000 ]  - [   0.0002747700000000, -0.0001441800000000,  0.0137959400000000 ]  - [  -0.0005065800000000,  0.0000004600000000,  0.0140271200000000 ]  - [   0.0002739400000000, -0.0001443200000000,  0.0142577900000000 ]  - [   0.0002747700000000,  0.0001441800000000,  0.0137959400000000 ]  - [   0.0055445500000000,  0.0000000000000000, -0.0053908500000000 ]  - [  -0.0012689400000000,  0.0000000000000000, -0.0038797800000000 ]  - [  -0.0012644800000000,  0.0000000000000000, -0.0067806100000000 ]  - [   0.0014960300000000, -0.0000005600000000, -0.0053482900000000 ]  - [  -0.0007671000000000, -0.0004213800000000, -0.0052339400000000 ]  - [  -0.0007688300000000,  0.0004201400000000, -0.0054508100000000 ]  - [   0.0014960300000000,  0.0000005600000000, -0.0053482900000000 ]  - [  -0.0007671000000000,  0.0004213800000000, -0.0052339400000000 ]  - [  -0.0007688300000000, -0.0004201400000000, -0.0054508100000000 ]  - [   0.0001689400000000,  0.0000013600000000,  0.0062896900000000 ]  - [  -0.0003776300000000,  0.0000001700000000,  0.0053442300000000 ]  - [   0.0001666900000000,  0.0000018800000000,  0.0043969800000000 ]  - [   0.0001636700000000,  0.0000000000000000,  0.0055756100000000 ]  - [  -0.0003218900000000,  0.0000000000000000,  0.0053430500000000 ]  - [   0.0001630600000000,  0.0000000000000000,  0.0051093100000000 ]  - [   0.0001689400000000, -0.0000013600000000,  0.0062896900000000 ]  - [  -0.0003776300000000, -0.0000001700000000,  0.0053442300000000 ]  - [   0.0001666900000000, -0.0000018800000000,  0.0043969800000000 ]  - [   0.0022176700000000, -0.0000635300000000,  0.0000000000000000 ]  - [  -0.0019813500000000, -0.0021682000000000,  0.0000000000000000 ]  - [  -0.0019677200000000,  0.0021263300000000,  0.0000000000000000 ]  - [   0.0003089200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004244300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004259500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0022176700000000,  0.0000635300000000,  0.0000000000000000 ]  - [  -0.0019813500000000,  0.0021682000000000,  0.0000000000000000 ]  - [  -0.0019677200000000, -0.0021263300000000,  0.0000000000000000 ]  - [   0.0002974700000000,  0.0000036600000000,  0.0000000000000000 ]  - [  -0.0001342000000000, -0.0000447500000000,  0.0000000000000000 ]  - [  -0.0001364900000000,  0.0000448100000000,  0.0000000000000000 ]  - [   0.0000594000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000271800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000264700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002974700000000, -0.0000036600000000,  0.0000000000000000 ]  - [  -0.0001342000000000,  0.0000447500000000,  0.0000000000000000 ]  - [  -0.0001364900000000, -0.0000448100000000,  0.0000000000000000 ]  - [   0.0001689400000000,  0.0000013600000000, -0.0062896900000000 ]  - [  -0.0003776300000000,  0.0000001700000000, -0.0053442300000000 ]  - [   0.0001666900000000,  0.0000018800000000, -0.0043969800000000 ]  - [   0.0001636700000000,  0.0000000000000000, -0.0055756100000000 ]  - [  -0.0003218900000000,  0.0000000000000000, -0.0053430500000000 ]  - [   0.0001630600000000,  0.0000000000000000, -0.0051093100000000 ]  - [   0.0001689400000000, -0.0000013600000000, -0.0062896900000000 ]  - [  -0.0003776300000000, -0.0000001700000000, -0.0053442300000000 ]  - [   0.0001666900000000, -0.0000018800000000, -0.0043969800000000 ]  - [   0.0055445500000000,  0.0000000000000000,  0.0053908500000000 ]  - [  -0.0012689400000000,  0.0000000000000000,  0.0038797800000000 ]  - [  -0.0012644800000000,  0.0000000000000000,  0.0067806100000000 ]  - [   0.0014960300000000, -0.0000005600000000,  0.0053482900000000 ]  - [  -0.0007671000000000, -0.0004213800000000,  0.0052339400000000 ]  - [  -0.0007688300000000,  0.0004201400000000,  0.0054508100000000 ]  - [   0.0014960300000000,  0.0000005600000000,  0.0053482900000000 ]  - [  -0.0007671000000000,  0.0004213800000000,  0.0052339400000000 ]  - [  -0.0007688300000000, -0.0004201400000000,  0.0054508100000000 ]  - [   0.0001801800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004694200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001722600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001928800000000, -0.0000929100000000,  0.0000000000000000 ]  - [  -0.0003774500000000, -0.0000005800000000,  0.0000000000000000 ]  - [   0.0001923800000000,  0.0000949400000000,  0.0000000000000000 ]  - [   0.0001928800000000,  0.0000929100000000,  0.0000000000000000 ]  - [  -0.0003774500000000,  0.0000005800000000,  0.0000000000000000 ]  - [   0.0001923800000000, -0.0000949400000000,  0.0000000000000000 ]  - [   0.0322075000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0030341800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0300695000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002440300000000, -0.0008207300000000,  0.0000000000000000 ]  - [  -0.0007099300000000, -0.0000019500000000,  0.0000000000000000 ]  - [   0.0002286100000000,  0.0008202400000000,  0.0000000000000000 ]  - [   0.0002440300000000,  0.0008207300000000,  0.0000000000000000 ]  - [  -0.0007099300000000,  0.0000019500000000,  0.0000000000000000 ]  - [   0.0002286100000000, -0.0008202400000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0098732600000000 ]  - [  -0.0000395300000000,  0.0000000000000000,  0.0002155200000000 ]  - [   0.0000395300000000,  0.0000000000000000,  0.0002155200000000 ]  - [   0.0000000000000000, -0.0000395300000000,  0.0002155200000000 ]  - [  -0.0000005700000000, -0.0000005700000000, -0.0008581400000000 ]  - [   0.0000005700000000, -0.0000005700000000, -0.0008581400000000 ]  - [   0.0000000000000000,  0.0000395300000000,  0.0002155200000000 ]  - [  -0.0000005700000000,  0.0000005700000000, -0.0008581400000000 ]  - [   0.0000005700000000,  0.0000005700000000, -0.0008581400000000 ]  - [   0.0000023300000000,  0.0000023300000000,  0.0007117800000000 ]  - [   0.0000000000000000,  0.0000002500000000,  0.0003026200000000 ]  - [  -0.0000023300000000,  0.0000023300000000,  0.0007117800000000 ]  - [   0.0000002500000000,  0.0000000000000000,  0.0003026200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003235400000000 ]  - [  -0.0000002500000000,  0.0000000000000000,  0.0003026200000000 ]  - [   0.0000023300000000, -0.0000023300000000,  0.0007117800000000 ]  - [   0.0000000000000000, -0.0000002500000000,  0.0003026200000000 ]  - [  -0.0000023300000000, -0.0000023300000000,  0.0007117800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0095264100000000 ]  - [  -0.0001906600000000,  0.0000000000000000, -0.0135301800000000 ]  - [   0.0001906600000000,  0.0000000000000000, -0.0135301800000000 ]  - [   0.0000000000000000, -0.0001906600000000, -0.0135301800000000 ]  - [  -0.0001259800000000, -0.0001259800000000, -0.0135756200000000 ]  - [   0.0001259800000000, -0.0001259800000000, -0.0135756200000000 ]  - [   0.0000000000000000,  0.0001906600000000, -0.0135301800000000 ]  - [  -0.0001259800000000,  0.0001259800000000, -0.0135756200000000 ]  - [   0.0001259800000000,  0.0001259800000000, -0.0135756200000000 ]  - [  -0.0026097100000000, -0.0026097100000000,  0.0141531700000000 ]  - [   0.0000000000000000, -0.0000430700000000,  0.0136772500000000 ]  - [   0.0026097100000000, -0.0026097100000000,  0.0141531700000000 ]  - [  -0.0000430700000000,  0.0000000000000000,  0.0136772500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0137253600000000 ]  - [   0.0000430700000000,  0.0000000000000000,  0.0136772500000000 ]  - [  -0.0026097100000000,  0.0026097100000000,  0.0141531700000000 ]  - [   0.0000000000000000,  0.0000430700000000,  0.0136772500000000 ]  - [   0.0026097100000000,  0.0026097100000000,  0.0141531700000000 ]  - [   0.0026225500000000,  0.0026225500000000, -0.0139139200000000 ]  - [   0.0000000000000000,  0.0000398700000000, -0.0143789500000000 ]  - [  -0.0026225500000000,  0.0026225500000000, -0.0139139200000000 ]  - [   0.0000398700000000,  0.0000000000000000, -0.0143789500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0143292600000000 ]  - [  -0.0000398700000000,  0.0000000000000000, -0.0143789500000000 ]  - [   0.0026225500000000, -0.0026225500000000, -0.0139139200000000 ]  - [   0.0000000000000000, -0.0000398700000000, -0.0143789500000000 ]  - [  -0.0026225500000000, -0.0026225500000000, -0.0139139200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0185643600000000 ]  - [   0.0001935000000000,  0.0000000000000000,  0.0145198400000000 ]  - [  -0.0001935000000000,  0.0000000000000000,  0.0145198400000000 ]  - [   0.0000000000000000,  0.0001935000000000,  0.0145198400000000 ]  - [   0.0001264900000000,  0.0001264900000000,  0.0144768800000000 ]  - [  -0.0001264900000000,  0.0001264900000000,  0.0144768800000000 ]  - [   0.0000000000000000, -0.0001935000000000,  0.0145198400000000 ]  - [   0.0001264900000000, -0.0001264900000000,  0.0144768800000000 ]  - [  -0.0001264900000000, -0.0001264900000000,  0.0144768800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0140726300000000 ]  - [   0.0005651900000000,  0.0000000000000000, -0.0054294600000000 ]  - [  -0.0005651900000000,  0.0000000000000000, -0.0054294600000000 ]  - [   0.0000000000000000,  0.0005651900000000, -0.0054294600000000 ]  - [   0.0004204200000000,  0.0004204200000000, -0.0053338700000000 ]  - [  -0.0004204200000000,  0.0004204200000000, -0.0053338700000000 ]  - [   0.0000000000000000, -0.0005651900000000, -0.0054294600000000 ]  - [   0.0004204200000000, -0.0004204200000000, -0.0053338700000000 ]  - [  -0.0004204200000000, -0.0004204200000000, -0.0053338700000000 ]  - [   0.0002444000000000,  0.0002444000000000,  0.0044884700000000 ]  - [   0.0000000000000000,  0.0000262200000000,  0.0051968100000000 ]  - [  -0.0002444000000000,  0.0002444000000000,  0.0044884700000000 ]  - [   0.0000262200000000,  0.0000000000000000,  0.0051968100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052651600000000 ]  - [  -0.0000262200000000,  0.0000000000000000,  0.0051968100000000 ]  - [   0.0002444000000000, -0.0002444000000000,  0.0044884700000000 ]  - [   0.0000000000000000, -0.0000262200000000,  0.0051968100000000 ]  - [  -0.0002444000000000, -0.0002444000000000,  0.0044884700000000 ]  - [   0.0000000000000000, -0.0000674900000000,  0.0037577700000000 ]  - [   0.0000006000000000,  0.0000080900000000,  0.0013810000000000 ]  - [  -0.0000006000000000,  0.0000080900000000,  0.0013810000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001561300000000 ]  - [   0.0000005200000000,  0.0000000000000000,  0.0004275000000000 ]  - [  -0.0000005200000000,  0.0000000000000000,  0.0004275000000000 ]  - [   0.0000000000000000,  0.0000674900000000,  0.0037577700000000 ]  - [   0.0000006000000000, -0.0000080900000000,  0.0013810000000000 ]  - [  -0.0000006000000000, -0.0000080900000000,  0.0013810000000000 ]  - [   0.0000000000000000, -0.0000051900000000, -0.0009326000000000 ]  - [  -0.0000001800000000, -0.0000003900000000, -0.0003364800000000 ]  - [   0.0000001800000000, -0.0000003900000000, -0.0003364800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003475200000000 ]  - [  -0.0000009200000000,  0.0000000000000000, -0.0002978500000000 ]  - [   0.0000009200000000,  0.0000000000000000, -0.0002978500000000 ]  - [   0.0000000000000000,  0.0000051900000000, -0.0009326000000000 ]  - [  -0.0000001800000000,  0.0000003900000000, -0.0003364800000000 ]  - [   0.0000001800000000,  0.0000003900000000, -0.0003364800000000 ]  - [  -0.0002492800000000, -0.0002492800000000, -0.0061976600000000 ]  - [   0.0000000000000000, -0.0000268600000000, -0.0054884400000000 ]  - [   0.0002492800000000, -0.0002492800000000, -0.0061976600000000 ]  - [  -0.0000268600000000,  0.0000000000000000, -0.0054884400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0054203700000000 ]  - [   0.0000268600000000,  0.0000000000000000, -0.0054884400000000 ]  - [  -0.0002492800000000,  0.0002492800000000, -0.0061976600000000 ]  - [   0.0000000000000000,  0.0000268600000000, -0.0054884400000000 ]  - [   0.0002492800000000,  0.0002492800000000, -0.0061976600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030729100000000 ]  - [  -0.0005655800000000,  0.0000000000000000,  0.0052665500000000 ]  - [   0.0005655800000000,  0.0000000000000000,  0.0052665500000000 ]  - [   0.0000000000000000, -0.0005655800000000,  0.0052665500000000 ]  - [  -0.0004204700000000, -0.0004204700000000,  0.0053532700000000 ]  - [   0.0004204700000000, -0.0004204700000000,  0.0053532700000000 ]  - [   0.0000000000000000,  0.0005655800000000,  0.0052665500000000 ]  - [  -0.0004204700000000,  0.0004204700000000,  0.0053532700000000 ]  - [   0.0004204700000000,  0.0004204700000000,  0.0053532700000000 ]  - [  -0.0000051900000000,  0.0000000000000000, -0.0009326000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003475200000000 ]  - [   0.0000051900000000,  0.0000000000000000, -0.0009326000000000 ]  - [  -0.0000003900000000, -0.0000001800000000, -0.0003364800000000 ]  - [   0.0000000000000000, -0.0000009200000000, -0.0002978500000000 ]  - [   0.0000003900000000, -0.0000001800000000, -0.0003364800000000 ]  - [  -0.0000003900000000,  0.0000001800000000, -0.0003364800000000 ]  - [   0.0000000000000000,  0.0000009200000000, -0.0002978500000000 ]  - [   0.0000003900000000,  0.0000001800000000, -0.0003364800000000 ]  - [  -0.0000674900000000,  0.0000000000000000,  0.0037577700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001561300000000 ]  - [   0.0000674900000000,  0.0000000000000000,  0.0037577700000000 ]  - [   0.0000080900000000,  0.0000006000000000,  0.0013810000000000 ]  - [   0.0000000000000000,  0.0000005200000000,  0.0004275000000000 ]  - [  -0.0000080900000000,  0.0000006000000000,  0.0013810000000000 ]  - [   0.0000080900000000, -0.0000006000000000,  0.0013810000000000 ]  - [   0.0000000000000000, -0.0000005200000000,  0.0004275000000000 ]  - [  -0.0000080900000000, -0.0000006000000000,  0.0013810000000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003321000000000,  0.0000000000000000, -0.0000045300000000 ]  - [   0.0003483500000000,  0.0000000000000000,  0.0001923400000000 ]  - [   0.0003484500000000,  0.0000000000000000, -0.0001918500000000 ]  - [  -0.0005061300000000,  0.0000006000000000,  0.0000001200000000 ]  - [   0.0002738500000000,  0.0001441100000000,  0.0001263200000000 ]  - [   0.0002762200000000, -0.0001446300000000, -0.0001258700000000 ]  - [  -0.0005061300000000, -0.0000006000000000,  0.0000001200000000 ]  - [   0.0002738500000000, -0.0001441100000000,  0.0001263200000000 ]  - [   0.0002762200000000,  0.0001446300000000, -0.0001258700000000 ]  - [   0.0007319000000000,  0.0032800600000000, -0.0026217700000000 ]  - [   0.0013802100000000,  0.0000017800000000, -0.0000013400000000 ]  - [   0.0007398600000000, -0.0032682900000000,  0.0026103800000000 ]  - [  -0.0002368100000000,  0.0000000000000000, -0.0000415700000000 ]  - [   0.0006356400000000,  0.0000000000000000, -0.0000006800000000 ]  - [  -0.0002329100000000,  0.0000000000000000,  0.0000411000000000 ]  - [   0.0007319000000000, -0.0032800600000000, -0.0026217700000000 ]  - [   0.0013802100000000, -0.0000017800000000, -0.0000013400000000 ]  - [   0.0007398600000000,  0.0032682900000000,  0.0026103800000000 ]  - [  -0.0274451100000000,  0.0000000000000000, -0.0138566900000000 ]  - [   0.0049733400000000,  0.0000000000000000, -0.0140117600000000 ]  - [   0.0049573500000000,  0.0000000000000000, -0.0140446600000000 ]  - [  -0.0011981800000000, -0.0000047700000000, -0.0140264000000000 ]  - [   0.0010004600000000,  0.0008027900000000, -0.0141336800000000 ]  - [   0.0010000500000000, -0.0007997000000000, -0.0139219500000000 ]  - [  -0.0011981800000000,  0.0000047700000000, -0.0140264000000000 ]  - [   0.0010004600000000, -0.0008027900000000, -0.0141336800000000 ]  - [   0.0010000500000000,  0.0007997000000000, -0.0139219500000000 ]  - [  -0.0000479600000000,  0.0006786200000000,  0.0157260300000000 ]  - [   0.0006773400000000,  0.0000006000000000,  0.0140287800000000 ]  - [  -0.0000413200000000, -0.0006803600000000,  0.0123311900000000 ]  - [  -0.0001741800000000,  0.0000000000000000,  0.0140302800000000 ]  - [   0.0003402500000000,  0.0000000000000000,  0.0140280100000000 ]  - [  -0.0001730800000000,  0.0000000000000000,  0.0140244100000000 ]  - [  -0.0000479600000000, -0.0006786200000000,  0.0157260300000000 ]  - [   0.0006773400000000, -0.0000006000000000,  0.0140287800000000 ]  - [  -0.0000413200000000,  0.0006803600000000,  0.0123311900000000 ]  - [  -0.0001664600000000,  0.0000745100000000, -0.0138754100000000 ]  - [   0.0003833900000000,  0.0000003800000000, -0.0140276400000000 ]  - [  -0.0001643500000000, -0.0000753700000000, -0.0141783300000000 ]  - [  -0.0000792600000000,  0.0000000000000000, -0.0139392200000000 ]  - [   0.0001884200000000,  0.0000000000000000, -0.0140270900000000 ]  - [  -0.0000780600000000,  0.0000000000000000, -0.0141153100000000 ]  - [  -0.0001664600000000, -0.0000745100000000, -0.0138754100000000 ]  - [   0.0003833900000000, -0.0000003800000000, -0.0140276400000000 ]  - [  -0.0001643500000000,  0.0000753700000000, -0.0141783300000000 ]  - [  -0.0020714700000000,  0.0000000000000000,  0.0140416800000000 ]  - [   0.0020148200000000,  0.0000000000000000,  0.0127219500000000 ]  - [   0.0020119700000000,  0.0000000000000000,  0.0153270400000000 ]  - [  -0.0003255900000000, -0.0000026500000000,  0.0140311600000000 ]  - [   0.0003228400000000,  0.0001975400000000,  0.0137936500000000 ]  - [   0.0003243300000000, -0.0001969000000000,  0.0142596200000000 ]  - [  -0.0003255900000000,  0.0000026500000000,  0.0140311600000000 ]  - [   0.0003228400000000, -0.0001975400000000,  0.0137936500000000 ]  - [   0.0003243300000000,  0.0001969000000000,  0.0142596200000000 ]  - [   0.0025069400000000,  0.0000000000000000, -0.0053669900000000 ]  - [  -0.0008114100000000,  0.0000000000000000, -0.0063829700000000 ]  - [  -0.0008090300000000,  0.0000000000000000, -0.0043109100000000 ]  - [   0.0006576400000000,  0.0000001300000000, -0.0053420200000000 ]  - [  -0.0003531200000000, -0.0002335800000000, -0.0055404800000000 ]  - [  -0.0003537800000000,  0.0002324000000000, -0.0051466300000000 ]  - [   0.0006576400000000, -0.0000001300000000, -0.0053420200000000 ]  - [  -0.0003531200000000,  0.0002335800000000, -0.0055404800000000 ]  - [  -0.0003537800000000, -0.0002324000000000, -0.0051466300000000 ]  - [  -0.0000097200000000, -0.0030080500000000,  0.0044226400000000 ]  - [  -0.0014952600000000, -0.0000027800000000,  0.0053420400000000 ]  - [  -0.0000911400000000,  0.0030746300000000,  0.0062771000000000 ]  - [   0.0002961000000000,  0.0000000000000000,  0.0053115900000000 ]  - [  -0.0008082000000000,  0.0000000000000000,  0.0053417300000000 ]  - [   0.0002902500000000,  0.0000000000000000,  0.0053737900000000 ]  - [  -0.0000097200000000,  0.0030080500000000,  0.0044226400000000 ]  - [  -0.0014952600000000,  0.0000027800000000,  0.0053420400000000 ]  - [  -0.0000911400000000, -0.0030746300000000,  0.0062771000000000 ]  - [   0.0008531900000000,  0.0000048200000000,  0.0000003700000000 ]  - [  -0.0004228500000000, -0.0000547400000000, -0.0002296900000000 ]  - [  -0.0004243600000000,  0.0000511300000000,  0.0002295900000000 ]  - [   0.0002562400000000,  0.0000000000000000, -0.0000001400000000 ]  - [  -0.0001249500000000,  0.0000000000000000, -0.0000122500000000 ]  - [  -0.0001267300000000,  0.0000000000000000,  0.0000117600000000 ]  - [   0.0008531900000000, -0.0000048200000000,  0.0000003700000000 ]  - [  -0.0004228500000000,  0.0000547400000000, -0.0002296900000000 ]  - [  -0.0004243600000000, -0.0000511300000000,  0.0002295900000000 ]  - [   0.0047117900000000, -0.0000014000000000,  0.0000034800000000 ]  - [  -0.0012847800000000, -0.0008043800000000,  0.0005417700000000 ]  - [  -0.0012857500000000,  0.0007990800000000, -0.0005384200000000 ]  - [   0.0001468900000000,  0.0000000000000000, -0.0000027600000000 ]  - [  -0.0001458100000000,  0.0000000000000000,  0.0002349300000000 ]  - [  -0.0001444500000000,  0.0000000000000000, -0.0002336600000000 ]  - [   0.0047117900000000,  0.0000014000000000,  0.0000034800000000 ]  - [  -0.0012847800000000,  0.0008043800000000,  0.0005417700000000 ]  - [  -0.0012857500000000, -0.0007990800000000, -0.0005384200000000 ]  - [   0.0002615000000000, -0.0001404200000000, -0.0046497100000000 ]  - [  -0.0006538600000000, -0.0000008800000000, -0.0053420100000000 ]  - [   0.0002555100000000,  0.0001407600000000, -0.0060338400000000 ]  - [   0.0001196700000000,  0.0000000000000000, -0.0053046800000000 ]  - [  -0.0003500500000000,  0.0000000000000000, -0.0053420700000000 ]  - [   0.0001160600000000,  0.0000000000000000, -0.0053796900000000 ]  - [   0.0002615000000000,  0.0001404200000000, -0.0046497100000000 ]  - [  -0.0006538600000000,  0.0000008800000000, -0.0053420100000000 ]  - [   0.0002555100000000, -0.0001407600000000, -0.0060338400000000 ]  - [   0.0002073700000000,  0.0000000000000000,  0.0053408700000000 ]  - [  -0.0001168300000000,  0.0000000000000000,  0.0056201800000000 ]  - [  -0.0001176000000000,  0.0000000000000000,  0.0050672100000000 ]  - [   0.0002457800000000, -0.0000001000000000,  0.0053415200000000 ]  - [  -0.0001147600000000, -0.0000192200000000,  0.0053992800000000 ]  - [  -0.0001156800000000,  0.0000189000000000,  0.0052861000000000 ]  - [   0.0002457800000000,  0.0000001000000000,  0.0053415200000000 ]  - [  -0.0001147600000000,  0.0000192200000000,  0.0053992800000000 ]  - [  -0.0001156800000000, -0.0000189000000000,  0.0052861000000000 ]  - [   0.0033705200000000,  0.0000000000000000, -0.0005423900000000 ]  - [  -0.0018619900000000,  0.0000000000000000,  0.0000027500000000 ]  - [   0.0031885800000000,  0.0000000000000000,  0.0003644700000000 ]  - [   0.0002486600000000, -0.0009588400000000,  0.0001972500000000 ]  - [  -0.0006477300000000, -0.0000015200000000,  0.0000007800000000 ]  - [   0.0002435000000000,  0.0009596300000000, -0.0001964100000000 ]  - [   0.0002486600000000,  0.0009588400000000,  0.0001972500000000 ]  - [  -0.0006477300000000,  0.0000015200000000,  0.0000007800000000 ]  - [   0.0002435000000000, -0.0009596300000000, -0.0001964100000000 ]  - [   0.0002190300000000,  0.0000000000000000, -0.0003308000000000 ]  - [  -0.0003541100000000,  0.0000000000000000, -0.0000004700000000 ]  - [   0.0002116000000000,  0.0000000000000000,  0.0003315800000000 ]  - [   0.0001110000000000, -0.0002937800000000, -0.0001965700000000 ]  - [  -0.0001891900000000,  0.0000000300000000, -0.0000002300000000 ]  - [   0.0001161300000000,  0.0002936200000000,  0.0001969400000000 ]  - [   0.0001110000000000,  0.0002937800000000, -0.0001965700000000 ]  - [  -0.0001891900000000, -0.0000000300000000, -0.0000002300000000 ]  - [   0.0001161300000000, -0.0002936200000000,  0.0001969400000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0045401900000000 ]  - [   0.0003597300000000,  0.0000000000000000,  0.0004947000000000 ]  - [  -0.0003597300000000,  0.0000000000000000,  0.0004947000000000 ]  - [   0.0000000000000000,  0.0003597300000000,  0.0004947000000000 ]  - [   0.0002341700000000,  0.0002341700000000,  0.0004518000000000 ]  - [  -0.0002341700000000,  0.0002341700000000,  0.0004518000000000 ]  - [   0.0000000000000000, -0.0003597300000000,  0.0004947000000000 ]  - [   0.0002341700000000, -0.0002341700000000,  0.0004518000000000 ]  - [  -0.0002341700000000, -0.0002341700000000,  0.0004518000000000 ]  - [  -0.0024787300000000, -0.0024787300000000,  0.0001262500000000 ]  - [   0.0000000000000000, -0.0001376600000000, -0.0003496400000000 ]  - [   0.0024787300000000, -0.0024787300000000,  0.0001262500000000 ]  - [  -0.0001376600000000,  0.0000000000000000, -0.0003496400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003018500000000 ]  - [   0.0001376600000000,  0.0000000000000000, -0.0003496400000000 ]  - [  -0.0024787300000000,  0.0024787300000000,  0.0001262500000000 ]  - [   0.0000000000000000,  0.0001376600000000, -0.0003496400000000 ]  - [   0.0024787300000000,  0.0024787300000000,  0.0001262500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0704618700000000 ]  - [  -0.0000210300000000,  0.0000000000000000, -0.0155481900000000 ]  - [   0.0000210300000000,  0.0000000000000000, -0.0155481900000000 ]  - [   0.0000000000000000, -0.0000210300000000, -0.0155481900000000 ]  - [   0.0001048300000000,  0.0001048300000000, -0.0146145800000000 ]  - [  -0.0001048300000000,  0.0001048300000000, -0.0146145800000000 ]  - [   0.0000000000000000,  0.0000210300000000, -0.0155481900000000 ]  - [   0.0001048300000000, -0.0001048300000000, -0.0146145800000000 ]  - [  -0.0001048300000000, -0.0001048300000000, -0.0146145800000000 ]  - [   0.0017012100000000,  0.0017012100000000,  0.0151025200000000 ]  - [   0.0000000000000000,  0.0000029700000000,  0.0139908700000000 ]  - [  -0.0017012100000000,  0.0017012100000000,  0.0151025200000000 ]  - [   0.0000029700000000,  0.0000000000000000,  0.0139908700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0140550100000000 ]  - [  -0.0000029700000000,  0.0000000000000000,  0.0139908700000000 ]  - [   0.0017012100000000, -0.0017012100000000,  0.0151025200000000 ]  - [   0.0000000000000000, -0.0000029700000000,  0.0139908700000000 ]  - [  -0.0017012100000000, -0.0017012100000000,  0.0151025200000000 ]  - [  -0.0001501300000000, -0.0001501300000000, -0.0128946500000000 ]  - [   0.0000000000000000, -0.0000880800000000, -0.0134772300000000 ]  - [   0.0001501300000000, -0.0001501300000000, -0.0128946500000000 ]  - [  -0.0000880800000000,  0.0000000000000000, -0.0134772300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0137254500000000 ]  - [   0.0000880800000000,  0.0000000000000000, -0.0134772300000000 ]  - [  -0.0001501300000000,  0.0001501300000000, -0.0128946500000000 ]  - [   0.0000000000000000,  0.0000880800000000, -0.0134772300000000 ]  - [   0.0001501300000000,  0.0001501300000000, -0.0128946500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0201489500000000 ]  - [  -0.0013021000000000,  0.0000000000000000,  0.0150833200000000 ]  - [   0.0013021000000000,  0.0000000000000000,  0.0150833200000000 ]  - [   0.0000000000000000, -0.0013021000000000,  0.0150833200000000 ]  - [  -0.0002332000000000, -0.0002332000000000,  0.0140755800000000 ]  - [   0.0002332000000000, -0.0002332000000000,  0.0140755800000000 ]  - [   0.0000000000000000,  0.0013021000000000,  0.0150833200000000 ]  - [  -0.0002332000000000,  0.0002332000000000,  0.0140755800000000 ]  - [   0.0002332000000000,  0.0002332000000000,  0.0140755800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0127027900000000 ]  - [  -0.0008182200000000,  0.0000000000000000, -0.0050841500000000 ]  - [   0.0008182200000000,  0.0000000000000000, -0.0050841500000000 ]  - [   0.0000000000000000, -0.0008182200000000, -0.0050841500000000 ]  - [  -0.0003895700000000, -0.0003895700000000, -0.0050555900000000 ]  - [   0.0003895700000000, -0.0003895700000000, -0.0050555900000000 ]  - [   0.0000000000000000,  0.0008182200000000, -0.0050841500000000 ]  - [  -0.0003895700000000,  0.0003895700000000, -0.0050555900000000 ]  - [   0.0003895700000000,  0.0003895700000000, -0.0050555900000000 ]  - [  -0.0007887900000000, -0.0007887900000000,  0.0090793300000000 ]  - [   0.0000000000000000,  0.0000213600000000,  0.0056003300000000 ]  - [   0.0007887900000000, -0.0007887900000000,  0.0090793300000000 ]  - [   0.0000213600000000,  0.0000000000000000,  0.0056003300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055492600000000 ]  - [  -0.0000213600000000,  0.0000000000000000,  0.0056003300000000 ]  - [  -0.0007887900000000,  0.0007887900000000,  0.0090793300000000 ]  - [   0.0000000000000000, -0.0000213600000000,  0.0056003300000000 ]  - [   0.0007887900000000,  0.0007887900000000,  0.0090793300000000 ]  - [   0.0000000000000000, -0.0008678100000000, -0.0012081200000000 ]  - [  -0.0003850200000000,  0.0000251600000000, -0.0005721800000000 ]  - [   0.0003850200000000,  0.0000251600000000, -0.0005721800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002357800000000 ]  - [  -0.0000445800000000,  0.0000000000000000, -0.0002003500000000 ]  - [   0.0000445800000000,  0.0000000000000000, -0.0002003500000000 ]  - [   0.0000000000000000,  0.0008678100000000, -0.0012081200000000 ]  - [  -0.0003850200000000, -0.0000251600000000, -0.0005721800000000 ]  - [   0.0003850200000000, -0.0000251600000000, -0.0005721800000000 ]  - [   0.0000000000000000, -0.0005811200000000,  0.0037479700000000 ]  - [   0.0009324600000000,  0.0003534200000000,  0.0004211700000000 ]  - [  -0.0009324600000000,  0.0003534200000000,  0.0004211700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005628300000000 ]  - [   0.0001517500000000,  0.0000000000000000,  0.0002845100000000 ]  - [  -0.0001517500000000,  0.0000000000000000,  0.0002845100000000 ]  - [   0.0000000000000000,  0.0005811200000000,  0.0037479700000000 ]  - [   0.0009324600000000, -0.0003534200000000,  0.0004211700000000 ]  - [  -0.0009324600000000, -0.0003534200000000,  0.0004211700000000 ]  - [   0.0008206300000000,  0.0008206300000000, -0.0062445000000000 ]  - [   0.0000000000000000,  0.0004536300000000, -0.0055549300000000 ]  - [  -0.0008206300000000,  0.0008206300000000, -0.0062445000000000 ]  - [   0.0004536300000000,  0.0000000000000000, -0.0055549300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0054676100000000 ]  - [  -0.0004536300000000,  0.0000000000000000, -0.0055549300000000 ]  - [   0.0008206300000000, -0.0008206300000000, -0.0062445000000000 ]  - [   0.0000000000000000, -0.0004536300000000, -0.0055549300000000 ]  - [  -0.0008206300000000, -0.0008206300000000, -0.0062445000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035939900000000 ]  - [  -0.0000081300000000,  0.0000000000000000,  0.0046318900000000 ]  - [   0.0000081300000000,  0.0000000000000000,  0.0046318900000000 ]  - [   0.0000000000000000, -0.0000081300000000,  0.0046318900000000 ]  - [   0.0000112100000000,  0.0000112100000000,  0.0050429900000000 ]  - [  -0.0000112100000000,  0.0000112100000000,  0.0050429900000000 ]  - [   0.0000000000000000,  0.0000081300000000,  0.0046318900000000 ]  - [   0.0000112100000000, -0.0000112100000000,  0.0050429900000000 ]  - [  -0.0000112100000000, -0.0000112100000000,  0.0050429900000000 ]  - [  -0.0005811200000000,  0.0000000000000000,  0.0037479700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005628300000000 ]  - [   0.0005811200000000,  0.0000000000000000,  0.0037479700000000 ]  - [   0.0003534200000000,  0.0009324600000000,  0.0004211700000000 ]  - [   0.0000000000000000,  0.0001517500000000,  0.0002845100000000 ]  - [  -0.0003534200000000,  0.0009324600000000,  0.0004211700000000 ]  - [   0.0003534200000000, -0.0009324600000000,  0.0004211700000000 ]  - [   0.0000000000000000, -0.0001517500000000,  0.0002845100000000 ]  - [  -0.0003534200000000, -0.0009324600000000,  0.0004211700000000 ]  - [  -0.0008678100000000,  0.0000000000000000, -0.0012081200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002357800000000 ]  - [   0.0008678100000000,  0.0000000000000000, -0.0012081200000000 ]  - [   0.0000251600000000, -0.0003850200000000, -0.0005721800000000 ]  - [   0.0000000000000000, -0.0000445800000000, -0.0002003500000000 ]  - [  -0.0000251600000000, -0.0003850200000000, -0.0005721800000000 ]  - [   0.0000251600000000,  0.0003850200000000, -0.0005721800000000 ]  - [   0.0000000000000000,  0.0000445800000000, -0.0002003500000000 ]  - [  -0.0000251600000000,  0.0003850200000000, -0.0005721800000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0044990300000000 ]  - [  -0.0003603800000000,  0.0000000000000000, -0.0004950400000000 ]  - [   0.0003603800000000,  0.0000000000000000, -0.0004950400000000 ]  - [   0.0000000000000000, -0.0003603800000000, -0.0004950400000000 ]  - [  -0.0002303800000000, -0.0002303800000000, -0.0004509900000000 ]  - [   0.0002303800000000, -0.0002303800000000, -0.0004509900000000 ]  - [   0.0000000000000000,  0.0003603800000000, -0.0004950400000000 ]  - [  -0.0002303800000000,  0.0002303800000000, -0.0004509900000000 ]  - [   0.0002303800000000,  0.0002303800000000, -0.0004509900000000 ]  - [   0.0024775600000000,  0.0024775600000000, -0.0001136100000000 ]  - [   0.0000000000000000,  0.0001379600000000,  0.0003514600000000 ]  - [  -0.0024775600000000,  0.0024775600000000, -0.0001136100000000 ]  - [   0.0001379600000000,  0.0000000000000000,  0.0003514600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003029800000000 ]  - [  -0.0001379600000000,  0.0000000000000000,  0.0003514600000000 ]  - [   0.0024775600000000, -0.0024775600000000, -0.0001136100000000 ]  - [   0.0000000000000000, -0.0001379600000000,  0.0003514600000000 ]  - [  -0.0024775600000000, -0.0024775600000000, -0.0001136100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0419774700000000 ]  - [   0.0000120300000000,  0.0000000000000000, -0.0125043900000000 ]  - [  -0.0000120300000000,  0.0000000000000000, -0.0125043900000000 ]  - [   0.0000000000000000,  0.0000120300000000, -0.0125043900000000 ]  - [  -0.0001068800000000, -0.0001068800000000, -0.0134399400000000 ]  - [   0.0001068800000000, -0.0001068800000000, -0.0134399400000000 ]  - [   0.0000000000000000, -0.0000120300000000, -0.0125043900000000 ]  - [  -0.0001068800000000,  0.0001068800000000, -0.0134399400000000 ]  - [   0.0001068800000000,  0.0001068800000000, -0.0134399400000000 ]  - [  -0.0016935200000000, -0.0016935200000000,  0.0129476500000000 ]  - [   0.0000000000000000, -0.0000029700000000,  0.0140617500000000 ]  - [   0.0016935200000000, -0.0016935200000000,  0.0129476500000000 ]  - [  -0.0000029700000000,  0.0000000000000000,  0.0140617500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0139978800000000 ]  - [   0.0000029700000000,  0.0000000000000000,  0.0140617500000000 ]  - [  -0.0016935200000000,  0.0016935200000000,  0.0129476500000000 ]  - [   0.0000000000000000,  0.0000029700000000,  0.0140617500000000 ]  - [   0.0016935200000000,  0.0016935200000000,  0.0129476500000000 ]  - [   0.0001526400000000,  0.0001526400000000, -0.0151591700000000 ]  - [   0.0000000000000000,  0.0000880100000000, -0.0145766200000000 ]  - [  -0.0001526400000000,  0.0001526400000000, -0.0151591700000000 ]  - [   0.0000880100000000,  0.0000000000000000, -0.0145766200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0143281200000000 ]  - [  -0.0000880100000000,  0.0000000000000000, -0.0145766200000000 ]  - [   0.0001526400000000, -0.0001526400000000, -0.0151591700000000 ]  - [   0.0000000000000000, -0.0000880100000000, -0.0145766200000000 ]  - [  -0.0001526400000000, -0.0001526400000000, -0.0151591700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078718900000000 ]  - [   0.0013034100000000,  0.0000000000000000,  0.0129723900000000 ]  - [  -0.0013034100000000,  0.0000000000000000,  0.0129723900000000 ]  - [   0.0000000000000000,  0.0013034100000000,  0.0129723900000000 ]  - [   0.0002331400000000,  0.0002331400000000,  0.0139816200000000 ]  - [  -0.0002331400000000,  0.0002331400000000,  0.0139816200000000 ]  - [   0.0000000000000000, -0.0013034100000000,  0.0129723900000000 ]  - [   0.0002331400000000, -0.0002331400000000,  0.0139816200000000 ]  - [  -0.0002331400000000, -0.0002331400000000,  0.0139816200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0225075400000000 ]  - [   0.0008143400000000,  0.0000000000000000, -0.0055959700000000 ]  - [  -0.0008143400000000,  0.0000000000000000, -0.0055959700000000 ]  - [   0.0000000000000000,  0.0008143400000000, -0.0055959700000000 ]  - [   0.0003881400000000,  0.0003881400000000, -0.0056264200000000 ]  - [  -0.0003881400000000,  0.0003881400000000, -0.0056264200000000 ]  - [   0.0000000000000000, -0.0008143400000000, -0.0055959700000000 ]  - [   0.0003881400000000, -0.0003881400000000, -0.0056264200000000 ]  - [  -0.0003881400000000, -0.0003881400000000, -0.0056264200000000 ]  - [   0.0008072300000000,  0.0008072300000000,  0.0016138200000000 ]  - [   0.0000000000000000, -0.0000184200000000,  0.0050862900000000 ]  - [  -0.0008072300000000,  0.0008072300000000,  0.0016138200000000 ]  - [  -0.0000184200000000,  0.0000000000000000,  0.0050862900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0051367200000000 ]  - [   0.0000184200000000,  0.0000000000000000,  0.0050862900000000 ]  - [   0.0008072300000000, -0.0008072300000000,  0.0016138200000000 ]  - [   0.0000000000000000,  0.0000184200000000,  0.0050862900000000 ]  - [  -0.0008072300000000, -0.0008072300000000,  0.0016138200000000 ]  - [   0.0000000000000000,  0.0008477200000000,  0.0012023000000000 ]  - [   0.0003832800000000, -0.0000187700000000,  0.0005720200000000 ]  - [  -0.0003832800000000, -0.0000187700000000,  0.0005720200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002355100000000 ]  - [   0.0000437900000000,  0.0000000000000000,  0.0002003200000000 ]  - [  -0.0000437900000000,  0.0000000000000000,  0.0002003200000000 ]  - [   0.0000000000000000, -0.0008477200000000,  0.0012023000000000 ]  - [   0.0003832800000000,  0.0000187700000000,  0.0005720200000000 ]  - [  -0.0003832800000000,  0.0000187700000000,  0.0005720200000000 ]  - [   0.0000000000000000,  0.0007409300000000, -0.0038734000000000 ]  - [  -0.0009286200000000, -0.0003543600000000, -0.0004240100000000 ]  - [   0.0009286200000000, -0.0003543600000000, -0.0004240100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005680200000000 ]  - [  -0.0001471200000000,  0.0000000000000000, -0.0002859500000000 ]  - [   0.0001471200000000,  0.0000000000000000, -0.0002859500000000 ]  - [   0.0000000000000000, -0.0007409300000000, -0.0038734000000000 ]  - [  -0.0009286200000000,  0.0003543600000000, -0.0004240100000000 ]  - [   0.0009286200000000,  0.0003543600000000, -0.0004240100000000 ]  - [  -0.0008247000000000, -0.0008247000000000, -0.0044402700000000 ]  - [   0.0000000000000000, -0.0004537800000000, -0.0051301900000000 ]  - [   0.0008247000000000, -0.0008247000000000, -0.0044402700000000 ]  - [  -0.0004537800000000,  0.0000000000000000, -0.0051301900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0052178000000000 ]  - [   0.0004537800000000,  0.0000000000000000, -0.0051301900000000 ]  - [  -0.0008247000000000,  0.0008247000000000, -0.0044402700000000 ]  - [   0.0000000000000000,  0.0004537800000000, -0.0051301900000000 ]  - [   0.0008247000000000,  0.0008247000000000, -0.0044402700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0070857300000000 ]  - [   0.0000065400000000,  0.0000000000000000,  0.0060495900000000 ]  - [  -0.0000065400000000,  0.0000000000000000,  0.0060495900000000 ]  - [   0.0000000000000000,  0.0000065400000000,  0.0060495900000000 ]  - [  -0.0000124100000000, -0.0000124100000000,  0.0056399400000000 ]  - [   0.0000124100000000, -0.0000124100000000,  0.0056399400000000 ]  - [   0.0000000000000000, -0.0000065400000000,  0.0060495900000000 ]  - [  -0.0000124100000000,  0.0000124100000000,  0.0056399400000000 ]  - [   0.0000124100000000,  0.0000124100000000,  0.0056399400000000 ]  - [   0.0007409300000000,  0.0000000000000000, -0.0038734000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005680200000000 ]  - [  -0.0007409300000000,  0.0000000000000000, -0.0038734000000000 ]  - [  -0.0003543600000000, -0.0009286200000000, -0.0004240100000000 ]  - [   0.0000000000000000, -0.0001471200000000, -0.0002859500000000 ]  - [   0.0003543600000000, -0.0009286200000000, -0.0004240100000000 ]  - [  -0.0003543600000000,  0.0009286200000000, -0.0004240100000000 ]  - [   0.0000000000000000,  0.0001471200000000, -0.0002859500000000 ]  - [   0.0003543600000000,  0.0009286200000000, -0.0004240100000000 ]  - [   0.0008477200000000,  0.0000000000000000,  0.0012023000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002355100000000 ]  - [  -0.0008477200000000,  0.0000000000000000,  0.0012023000000000 ]  - [  -0.0000187700000000,  0.0003832800000000,  0.0005720200000000 ]  - [   0.0000000000000000,  0.0000437900000000,  0.0002003200000000 ]  - [   0.0000187700000000,  0.0003832800000000,  0.0005720200000000 ]  - [  -0.0000187700000000, -0.0003832800000000,  0.0005720200000000 ]  - [   0.0000000000000000, -0.0000437900000000,  0.0002003200000000 ]  - [   0.0000187700000000, -0.0003832800000000,  0.0005720200000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0055456800000000,  0.0000000000000000,  0.0000141900000000 ]  - [  -0.0012677200000000,  0.0000000000000000, -0.0005655100000000 ]  - [  -0.0012650600000000,  0.0000000000000000,  0.0005651700000000 ]  - [   0.0014964400000000,  0.0000002500000000, -0.0000020000000000 ]  - [  -0.0007668600000000, -0.0004200600000000, -0.0004188300000000 ]  - [  -0.0007680400000000,  0.0004214400000000,  0.0004221300000000 ]  - [   0.0014964400000000, -0.0000002500000000, -0.0000020000000000 ]  - [  -0.0007668600000000,  0.0004200600000000, -0.0004188300000000 ]  - [  -0.0007680400000000, -0.0004214400000000,  0.0004221300000000 ]  - [   0.0001704600000000,  0.0000005400000000,  0.0002460200000000 ]  - [  -0.0003772400000000, -0.0000011800000000,  0.0000006800000000 ]  - [   0.0001662200000000,  0.0000012400000000, -0.0002475900000000 ]  - [   0.0001641200000000,  0.0000000000000000,  0.0000265300000000 ]  - [  -0.0003213500000000,  0.0000000000000000,  0.0000000600000000 ]  - [   0.0001634900000000,  0.0000000000000000, -0.0000267500000000 ]  - [   0.0001704600000000, -0.0000005400000000,  0.0002460200000000 ]  - [  -0.0003772400000000,  0.0000011800000000,  0.0000006800000000 ]  - [   0.0001662200000000, -0.0000012400000000, -0.0002475900000000 ]  - [   0.0025066400000000,  0.0000000000000000, -0.0139930200000000 ]  - [  -0.0008128200000000,  0.0000000000000000, -0.0132069000000000 ]  - [  -0.0008076600000000,  0.0000000000000000, -0.0148395300000000 ]  - [   0.0006577400000000,  0.0000013000000000, -0.0140258200000000 ]  - [  -0.0003532500000000, -0.0002337300000000, -0.0136384400000000 ]  - [  -0.0003534200000000,  0.0002323800000000, -0.0144159000000000 ]  - [   0.0006577400000000, -0.0000013000000000, -0.0140258200000000 ]  - [  -0.0003532500000000,  0.0002337300000000, -0.0136384400000000 ]  - [  -0.0003534200000000, -0.0002323800000000, -0.0144159000000000 ]  - [  -0.0000080200000000, -0.0030137100000000,  0.0132341600000000 ]  - [  -0.0014953300000000, -0.0000012800000000,  0.0140256900000000 ]  - [  -0.0000927400000000,  0.0030694600000000,  0.0148297800000000 ]  - [   0.0002919400000000,  0.0000000000000000,  0.0140463000000000 ]  - [  -0.0008080100000000,  0.0000000000000000,  0.0140266000000000 ]  - [   0.0002942900000000,  0.0000000000000000,  0.0140063800000000 ]  - [  -0.0000080200000000,  0.0030137100000000,  0.0132341600000000 ]  - [  -0.0014953300000000,  0.0000012800000000,  0.0140256900000000 ]  - [  -0.0000927400000000, -0.0030694600000000,  0.0148297800000000 ]  - [   0.0002591700000000, -0.0001408400000000, -0.0148510100000000 ]  - [  -0.0006540400000000, -0.0000003200000000, -0.0140267800000000 ]  - [   0.0002575200000000,  0.0001402000000000, -0.0132055500000000 ]  - [   0.0001175300000000,  0.0000000000000000, -0.0144810800000000 ]  - [  -0.0003501800000000,  0.0000000000000000, -0.0140263800000000 ]  - [   0.0001179400000000,  0.0000000000000000, -0.0135739700000000 ]  - [   0.0002591700000000,  0.0001408400000000, -0.0148510100000000 ]  - [  -0.0006540400000000,  0.0000003200000000, -0.0140267800000000 ]  - [   0.0002575200000000, -0.0001402000000000, -0.0132055500000000 ]  - [   0.0002072300000000,  0.0000000000000000,  0.0140255800000000 ]  - [  -0.0001164000000000,  0.0000000000000000,  0.0140195300000000 ]  - [  -0.0001182900000000,  0.0000000000000000,  0.0140336900000000 ]  - [   0.0002458600000000,  0.0000006100000000,  0.0140260200000000 ]  - [  -0.0001149900000000, -0.0000190800000000,  0.0140385900000000 ]  - [  -0.0001152200000000,  0.0000188400000000,  0.0140147100000000 ]  - [   0.0002458600000000, -0.0000006100000000,  0.0140260200000000 ]  - [  -0.0001149900000000,  0.0000190800000000,  0.0140385900000000 ]  - [  -0.0001152200000000, -0.0000188400000000,  0.0140147100000000 ]  - [  -0.0201287300000000,  0.0000000000000000, -0.0054122300000000 ]  - [   0.0031915900000000,  0.0000000000000000, -0.0054366000000000 ]  - [   0.0031527200000000,  0.0000000000000000, -0.0052448900000000 ]  - [  -0.0023279000000000, -0.0000018500000000, -0.0053441100000000 ]  - [   0.0012438800000000,  0.0006594000000000, -0.0055285900000000 ]  - [   0.0012427400000000, -0.0006590400000000, -0.0051543100000000 ]  - [  -0.0023279000000000,  0.0000018500000000, -0.0053441100000000 ]  - [   0.0012438800000000, -0.0006594000000000, -0.0055285900000000 ]  - [   0.0012427400000000,  0.0006590400000000, -0.0051543100000000 ]  - [   0.0014414300000000,  0.0024961600000000,  0.0015495400000000 ]  - [   0.0006183600000000,  0.0000014900000000,  0.0053437600000000 ]  - [   0.0014457200000000, -0.0024773800000000,  0.0091177100000000 ]  - [  -0.0002111300000000,  0.0000000000000000,  0.0050161200000000 ]  - [   0.0004176800000000,  0.0000000000000000,  0.0053432200000000 ]  - [  -0.0002099800000000,  0.0000000000000000,  0.0056694400000000 ]  - [   0.0014414300000000, -0.0024961600000000,  0.0015495400000000 ]  - [   0.0006183600000000, -0.0000014900000000,  0.0053437600000000 ]  - [   0.0014457200000000,  0.0024773800000000,  0.0091177100000000 ]  - [  -0.0037062800000000, -0.0000177500000000, -0.0000133100000000 ]  - [   0.0012630600000000,  0.0001135500000000,  0.0008545900000000 ]  - [   0.0012615200000000, -0.0001095000000000, -0.0008546000000000 ]  - [  -0.0007256700000000,  0.0000000000000000,  0.0000001800000000 ]  - [   0.0003851300000000,  0.0000000000000000,  0.0001087500000000 ]  - [   0.0003840700000000,  0.0000000000000000, -0.0001090200000000 ]  - [  -0.0037062800000000,  0.0000177500000000, -0.0000133100000000 ]  - [   0.0012630600000000, -0.0001135500000000,  0.0008545900000000 ]  - [   0.0012615200000000,  0.0001095000000000, -0.0008546000000000 ]  - [  -0.0001526600000000, -0.0000025100000000,  0.0000019700000000 ]  - [   0.0000681900000000,  0.0000762200000000, -0.0001947600000000 ]  - [   0.0000698000000000, -0.0000747700000000,  0.0001934400000000 ]  - [  -0.0000686600000000,  0.0000000000000000, -0.0000000900000000 ]  - [   0.0000298300000000,  0.0000000000000000, -0.0001190300000000 ]  - [   0.0000306800000000,  0.0000000000000000,  0.0001189200000000 ]  - [  -0.0001526600000000,  0.0000025100000000,  0.0000019700000000 ]  - [   0.0000681900000000, -0.0000762200000000, -0.0001947600000000 ]  - [   0.0000698000000000,  0.0000747700000000,  0.0001934400000000 ]  - [  -0.0000539700000000,  0.0000100400000000, -0.0051976200000000 ]  - [   0.0001510700000000, -0.0000000900000000, -0.0053430100000000 ]  - [  -0.0000533600000000, -0.0000101100000000, -0.0054870800000000 ]  - [  -0.0000777100000000,  0.0000000000000000, -0.0051919400000000 ]  - [   0.0001571800000000,  0.0000000000000000, -0.0053427100000000 ]  - [  -0.0000772000000000,  0.0000000000000000, -0.0054931900000000 ]  - [  -0.0000539700000000, -0.0000100400000000, -0.0051976200000000 ]  - [   0.0001510700000000,  0.0000000900000000, -0.0053430100000000 ]  - [  -0.0000533600000000,  0.0000101100000000, -0.0054870800000000 ]  - [  -0.0003661400000000,  0.0000000000000000,  0.0053395900000000 ]  - [   0.0003367100000000,  0.0000000000000000,  0.0055993800000000 ]  - [   0.0003360900000000,  0.0000000000000000,  0.0050869400000000 ]  - [  -0.0005318000000000,  0.0000000900000000,  0.0053430100000000 ]  - [   0.0002777800000000,  0.0000286200000000,  0.0054997600000000 ]  - [   0.0002771600000000, -0.0000285200000000,  0.0051854100000000 ]  - [  -0.0005318000000000, -0.0000000900000000,  0.0053430100000000 ]  - [   0.0002777800000000, -0.0000286200000000,  0.0054997600000000 ]  - [   0.0002771600000000,  0.0000285200000000,  0.0051854100000000 ]  - [  -0.0001488700000000,  0.0000000000000000, -0.0001266900000000 ]  - [   0.0004933000000000,  0.0000000000000000, -0.0000010700000000 ]  - [  -0.0001415400000000,  0.0000000000000000,  0.0001314900000000 ]  - [  -0.0001617500000000,  0.0000674900000000, -0.0000676500000000 ]  - [   0.0003232400000000,  0.0000000900000000,  0.0000000200000000 ]  - [  -0.0001608000000000, -0.0000670200000000,  0.0000678000000000 ]  - [  -0.0001617500000000, -0.0000674900000000, -0.0000676500000000 ]  - [   0.0003232400000000, -0.0000000900000000,  0.0000000200000000 ]  - [  -0.0001608000000000,  0.0000670200000000,  0.0000678000000000 ]  - [   0.0036400400000000,  0.0000000000000000,  0.0079025500000000 ]  - [   0.0008884100000000,  0.0000000000000000,  0.0000001400000000 ]  - [   0.0036459200000000,  0.0000000000000000, -0.0078470200000000 ]  - [  -0.0002562400000000,  0.0008011200000000,  0.0009255500000000 ]  - [   0.0005889800000000,  0.0000005300000000, -0.0000000300000000 ]  - [  -0.0002599600000000, -0.0007999300000000, -0.0009249100000000 ]  - [  -0.0002562400000000, -0.0008011200000000,  0.0009255500000000 ]  - [   0.0005889800000000, -0.0000005300000000, -0.0000000300000000 ]  - [  -0.0002599600000000,  0.0007999300000000, -0.0009249100000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0083936000000000 ]  - [  -0.0014569800000000,  0.0000000000000000, -0.0000800000000000 ]  - [   0.0014569800000000,  0.0000000000000000, -0.0000800000000000 ]  - [   0.0000000000000000, -0.0014569800000000, -0.0000800000000000 ]  - [  -0.0001064700000000, -0.0001064700000000,  0.0000119700000000 ]  - [   0.0001064700000000, -0.0001064700000000,  0.0000119700000000 ]  - [   0.0000000000000000,  0.0014569800000000, -0.0000800000000000 ]  - [  -0.0001064700000000,  0.0001064700000000,  0.0000119700000000 ]  - [   0.0001064700000000,  0.0001064700000000,  0.0000119700000000 ]  - [   0.0009464400000000,  0.0009464400000000, -0.0008530700000000 ]  - [   0.0000000000000000,  0.0002329800000000, -0.0001455900000000 ]  - [  -0.0009464400000000,  0.0009464400000000, -0.0008530700000000 ]  - [   0.0002329800000000,  0.0000000000000000, -0.0001455900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000776900000000 ]  - [  -0.0002329800000000,  0.0000000000000000, -0.0001455900000000 ]  - [   0.0009464400000000, -0.0009464400000000, -0.0008530700000000 ]  - [   0.0000000000000000, -0.0002329800000000, -0.0001455900000000 ]  - [  -0.0009464400000000, -0.0009464400000000, -0.0008530700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031082300000000 ]  - [   0.0010335800000000,  0.0000000000000000, -0.0137750500000000 ]  - [  -0.0010335800000000,  0.0000000000000000, -0.0137750500000000 ]  - [   0.0000000000000000,  0.0010335800000000, -0.0137750500000000 ]  - [   0.0001963300000000,  0.0001963300000000, -0.0137462300000000 ]  - [  -0.0001963300000000,  0.0001963300000000, -0.0137462300000000 ]  - [   0.0000000000000000, -0.0010335800000000, -0.0137750500000000 ]  - [   0.0001963300000000, -0.0001963300000000, -0.0137462300000000 ]  - [  -0.0001963300000000, -0.0001963300000000, -0.0137462300000000 ]  - [  -0.0009205400000000, -0.0009205400000000,  0.0177681400000000 ]  - [   0.0000000000000000, -0.0000309800000000,  0.0142874200000000 ]  - [   0.0009205400000000, -0.0009205400000000,  0.0177681400000000 ]  - [  -0.0000309800000000,  0.0000000000000000,  0.0142874200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0142355800000000 ]  - [   0.0000309800000000,  0.0000000000000000,  0.0142874200000000 ]  - [  -0.0009205400000000,  0.0009205400000000,  0.0177681400000000 ]  - [   0.0000000000000000,  0.0000309800000000,  0.0142874200000000 ]  - [   0.0009205400000000,  0.0009205400000000,  0.0177681400000000 ]  - [  -0.0006946000000000, -0.0006946000000000, -0.0149346700000000 ]  - [   0.0000000000000000, -0.0000374300000000, -0.0142419400000000 ]  - [   0.0006946000000000, -0.0006946000000000, -0.0149346700000000 ]  - [  -0.0000374300000000,  0.0000000000000000, -0.0142419400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0141536800000000 ]  - [   0.0000374300000000,  0.0000000000000000, -0.0142419400000000 ]  - [  -0.0006946000000000,  0.0006946000000000, -0.0149346700000000 ]  - [   0.0000000000000000,  0.0000374300000000, -0.0142419400000000 ]  - [   0.0006946000000000,  0.0006946000000000, -0.0149346700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0122776100000000 ]  - [   0.0002769000000000,  0.0000000000000000,  0.0133219600000000 ]  - [  -0.0002769000000000,  0.0000000000000000,  0.0133219600000000 ]  - [   0.0000000000000000,  0.0002769000000000,  0.0133219600000000 ]  - [   0.0000563700000000,  0.0000563700000000,  0.0137319100000000 ]  - [  -0.0000563700000000,  0.0000563700000000,  0.0137319100000000 ]  - [   0.0000000000000000, -0.0002769000000000,  0.0133219600000000 ]  - [   0.0000563700000000, -0.0000563700000000,  0.0137319100000000 ]  - [  -0.0000563700000000, -0.0000563700000000,  0.0137319100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0589242100000000 ]  - [   0.0000925100000000,  0.0000000000000000, -0.0062101300000000 ]  - [  -0.0000925100000000,  0.0000000000000000, -0.0062101300000000 ]  - [   0.0000000000000000,  0.0000925100000000, -0.0062101300000000 ]  - [   0.0001858900000000,  0.0001858900000000, -0.0055682500000000 ]  - [  -0.0001858900000000,  0.0001858900000000, -0.0055682500000000 ]  - [   0.0000000000000000, -0.0000925100000000, -0.0062101300000000 ]  - [   0.0001858900000000, -0.0001858900000000, -0.0055682500000000 ]  - [  -0.0001858900000000, -0.0001858900000000, -0.0055682500000000 ]  - [  -0.0037745200000000, -0.0037745200000000,  0.0057994300000000 ]  - [   0.0000000000000000, -0.0003256200000000,  0.0049271100000000 ]  - [   0.0037745200000000, -0.0037745200000000,  0.0057994300000000 ]  - [  -0.0003256200000000,  0.0000000000000000,  0.0049271100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0051146200000000 ]  - [   0.0003256200000000,  0.0000000000000000,  0.0049271100000000 ]  - [  -0.0037745200000000,  0.0037745200000000,  0.0057994300000000 ]  - [   0.0000000000000000,  0.0003256200000000,  0.0049271100000000 ]  - [   0.0037745200000000,  0.0037745200000000,  0.0057994300000000 ]  - [   0.0000000000000000,  0.0102167100000000,  0.0061868900000000 ]  - [   0.0003577900000000,  0.0003518700000000,  0.0001515500000000 ]  - [  -0.0003577900000000,  0.0003518700000000,  0.0001515500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000546600000000 ]  - [   0.0000732400000000,  0.0000000000000000,  0.0000297500000000 ]  - [  -0.0000732400000000,  0.0000000000000000,  0.0000297500000000 ]  - [   0.0000000000000000, -0.0102167100000000,  0.0061868900000000 ]  - [   0.0003577900000000, -0.0003518700000000,  0.0001515500000000 ]  - [  -0.0003577900000000, -0.0003518700000000,  0.0001515500000000 ]  - [   0.0000000000000000, -0.0015060300000000,  0.0017110500000000 ]  - [  -0.0003462000000000, -0.0002751300000000,  0.0001667100000000 ]  - [   0.0003462000000000, -0.0002751300000000,  0.0001667100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002485300000000 ]  - [  -0.0001061700000000,  0.0000000000000000,  0.0000747600000000 ]  - [   0.0001061700000000,  0.0000000000000000,  0.0000747600000000 ]  - [   0.0000000000000000,  0.0015060300000000,  0.0017110500000000 ]  - [  -0.0003462000000000,  0.0002751300000000,  0.0001667100000000 ]  - [   0.0003462000000000,  0.0002751300000000,  0.0001667100000000 ]  - [  -0.0001456100000000, -0.0001456100000000, -0.0045655700000000 ]  - [   0.0000000000000000, -0.0001503500000000, -0.0050658600000000 ]  - [   0.0001456100000000, -0.0001456100000000, -0.0045655700000000 ]  - [  -0.0001503500000000,  0.0000000000000000, -0.0050658600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051799300000000 ]  - [   0.0001503500000000,  0.0000000000000000, -0.0050658600000000 ]  - [  -0.0001456100000000,  0.0001456100000000, -0.0045655700000000 ]  - [   0.0000000000000000,  0.0001503500000000, -0.0050658600000000 ]  - [   0.0001456100000000,  0.0001456100000000, -0.0045655700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083876000000000 ]  - [   0.0002568800000000,  0.0000000000000000,  0.0058969200000000 ]  - [  -0.0002568800000000,  0.0000000000000000,  0.0058969200000000 ]  - [   0.0000000000000000,  0.0002568800000000,  0.0058969200000000 ]  - [   0.0001574700000000,  0.0001574700000000,  0.0055522800000000 ]  - [  -0.0001574700000000,  0.0001574700000000,  0.0055522800000000 ]  - [   0.0000000000000000, -0.0002568800000000,  0.0058969200000000 ]  - [   0.0001574700000000, -0.0001574700000000,  0.0055522800000000 ]  - [  -0.0001574700000000, -0.0001574700000000,  0.0055522800000000 ]  - [  -0.0015060300000000,  0.0000000000000000,  0.0017110500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002485300000000 ]  - [   0.0015060300000000,  0.0000000000000000,  0.0017110500000000 ]  - [  -0.0002751300000000, -0.0003462000000000,  0.0001667100000000 ]  - [   0.0000000000000000, -0.0001061700000000,  0.0000747600000000 ]  - [   0.0002751300000000, -0.0003462000000000,  0.0001667100000000 ]  - [  -0.0002751300000000,  0.0003462000000000,  0.0001667100000000 ]  - [   0.0000000000000000,  0.0001061700000000,  0.0000747600000000 ]  - [   0.0002751300000000,  0.0003462000000000,  0.0001667100000000 ]  - [   0.0102167100000000,  0.0000000000000000,  0.0061868900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000546600000000 ]  - [  -0.0102167100000000,  0.0000000000000000,  0.0061868900000000 ]  - [   0.0003518700000000,  0.0003577900000000,  0.0001515500000000 ]  - [   0.0000000000000000,  0.0000732400000000,  0.0000297500000000 ]  - [  -0.0003518700000000,  0.0003577900000000,  0.0001515500000000 ]  - [   0.0003518700000000, -0.0003577900000000,  0.0001515500000000 ]  - [   0.0000000000000000, -0.0000732400000000,  0.0000297500000000 ]  - [  -0.0003518700000000, -0.0003577900000000,  0.0001515500000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0087503200000000 ]  - [   0.0014443000000000,  0.0000000000000000,  0.0000824300000000 ]  - [  -0.0014443000000000,  0.0000000000000000,  0.0000824300000000 ]  - [   0.0000000000000000,  0.0014443000000000,  0.0000824300000000 ]  - [   0.0001089600000000,  0.0001089600000000, -0.0000082700000000 ]  - [  -0.0001089600000000,  0.0001089600000000, -0.0000082700000000 ]  - [   0.0000000000000000, -0.0014443000000000,  0.0000824300000000 ]  - [   0.0001089600000000, -0.0001089600000000, -0.0000082700000000 ]  - [  -0.0001089600000000, -0.0001089600000000, -0.0000082700000000 ]  - [  -0.0009466300000000, -0.0009466300000000,  0.0008555100000000 ]  - [   0.0000000000000000, -0.0002336500000000,  0.0001459400000000 ]  - [   0.0009466300000000, -0.0009466300000000,  0.0008555100000000 ]  - [  -0.0002336500000000,  0.0000000000000000,  0.0001459400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000773300000000 ]  - [   0.0002336500000000,  0.0000000000000000,  0.0001459400000000 ]  - [  -0.0009466300000000,  0.0009466300000000,  0.0008555100000000 ]  - [   0.0000000000000000,  0.0002336500000000,  0.0001459400000000 ]  - [   0.0009466300000000,  0.0009466300000000,  0.0008555100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0320988600000000 ]  - [  -0.0010392300000000,  0.0000000000000000, -0.0142824600000000 ]  - [   0.0010392300000000,  0.0000000000000000, -0.0142824600000000 ]  - [   0.0000000000000000, -0.0010392300000000, -0.0142824600000000 ]  - [  -0.0001974800000000, -0.0001974800000000, -0.0143134300000000 ]  - [   0.0001974800000000, -0.0001974800000000, -0.0143134300000000 ]  - [   0.0000000000000000,  0.0010392300000000, -0.0142824600000000 ]  - [  -0.0001974800000000,  0.0001974800000000, -0.0143134300000000 ]  - [   0.0001974800000000,  0.0001974800000000, -0.0143134300000000 ]  - [   0.0009341800000000,  0.0009341800000000,  0.0102973600000000 ]  - [   0.0000000000000000,  0.0000302400000000,  0.0137700500000000 ]  - [  -0.0009341800000000,  0.0009341800000000,  0.0102973600000000 ]  - [   0.0000302400000000,  0.0000000000000000,  0.0137700500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0138216100000000 ]  - [  -0.0000302400000000,  0.0000000000000000,  0.0137700500000000 ]  - [   0.0009341800000000, -0.0009341800000000,  0.0102973600000000 ]  - [   0.0000000000000000, -0.0000302400000000,  0.0137700500000000 ]  - [  -0.0009341800000000, -0.0009341800000000,  0.0102973600000000 ]  - [   0.0006895500000000,  0.0006895500000000, -0.0131266900000000 ]  - [   0.0000000000000000,  0.0000369800000000, -0.0138139000000000 ]  - [  -0.0006895500000000,  0.0006895500000000, -0.0131266900000000 ]  - [   0.0000369800000000,  0.0000000000000000, -0.0138139000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0139015000000000 ]  - [  -0.0000369800000000,  0.0000000000000000, -0.0138139000000000 ]  - [   0.0006895500000000, -0.0006895500000000, -0.0131266900000000 ]  - [   0.0000000000000000, -0.0000369800000000, -0.0138139000000000 ]  - [  -0.0006895500000000, -0.0006895500000000, -0.0131266900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0157663700000000 ]  - [  -0.0002764400000000,  0.0000000000000000,  0.0147353200000000 ]  - [   0.0002764400000000,  0.0000000000000000,  0.0147353200000000 ]  - [   0.0000000000000000, -0.0002764400000000,  0.0147353200000000 ]  - [  -0.0000568600000000, -0.0000568600000000,  0.0143253500000000 ]  - [   0.0000568600000000, -0.0000568600000000,  0.0143253500000000 ]  - [   0.0000000000000000,  0.0002764400000000,  0.0147353200000000 ]  - [  -0.0000568600000000,  0.0000568600000000,  0.0143253500000000 ]  - [   0.0000568600000000,  0.0000568600000000,  0.0143253500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0486349200000000 ]  - [  -0.0000995600000000,  0.0000000000000000, -0.0044729900000000 ]  - [   0.0000995600000000,  0.0000000000000000, -0.0044729900000000 ]  - [   0.0000000000000000, -0.0000995600000000, -0.0044729900000000 ]  - [  -0.0001884500000000, -0.0001884500000000, -0.0051134600000000 ]  - [   0.0001884500000000, -0.0001884500000000, -0.0051134600000000 ]  - [   0.0000000000000000,  0.0000995600000000, -0.0044729900000000 ]  - [  -0.0001884500000000,  0.0001884500000000, -0.0051134600000000 ]  - [   0.0001884500000000,  0.0001884500000000, -0.0051134600000000 ]  - [   0.0037935900000000,  0.0037935900000000,  0.0048894700000000 ]  - [   0.0000000000000000,  0.0003275000000000,  0.0057599600000000 ]  - [  -0.0037935900000000,  0.0037935900000000,  0.0048894700000000 ]  - [   0.0003275000000000,  0.0000000000000000,  0.0057599600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055719600000000 ]  - [  -0.0003275000000000,  0.0000000000000000,  0.0057599600000000 ]  - [   0.0037935900000000, -0.0037935900000000,  0.0048894700000000 ]  - [   0.0000000000000000, -0.0003275000000000,  0.0057599600000000 ]  - [  -0.0037935900000000, -0.0037935900000000,  0.0048894700000000 ]  - [   0.0000000000000000, -0.0101102200000000, -0.0061460100000000 ]  - [  -0.0003589800000000, -0.0003485300000000, -0.0001558600000000 ]  - [   0.0003589800000000, -0.0003485300000000, -0.0001558600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000560700000000 ]  - [  -0.0000732100000000,  0.0000000000000000, -0.0000309900000000 ]  - [   0.0000732100000000,  0.0000000000000000, -0.0000309900000000 ]  - [   0.0000000000000000,  0.0101102200000000, -0.0061460100000000 ]  - [  -0.0003589800000000,  0.0003485300000000, -0.0001558600000000 ]  - [   0.0003589800000000,  0.0003485300000000, -0.0001558600000000 ]  - [   0.0000000000000000,  0.0014996300000000, -0.0017184900000000 ]  - [   0.0003485100000000,  0.0002748900000000, -0.0001671600000000 ]  - [  -0.0003485100000000,  0.0002748900000000, -0.0001671600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002499200000000 ]  - [   0.0001026100000000,  0.0000000000000000, -0.0000748900000000 ]  - [  -0.0001026100000000,  0.0000000000000000, -0.0000748900000000 ]  - [   0.0000000000000000, -0.0014996300000000, -0.0017184900000000 ]  - [   0.0003485100000000, -0.0002748900000000, -0.0001671600000000 ]  - [  -0.0003485100000000, -0.0002748900000000, -0.0001671600000000 ]  - [   0.0001436700000000,  0.0001436700000000, -0.0061184100000000 ]  - [   0.0000000000000000,  0.0001506300000000, -0.0056191400000000 ]  - [  -0.0001436700000000,  0.0001436700000000, -0.0061184100000000 ]  - [   0.0001506300000000,  0.0000000000000000, -0.0056191400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055047700000000 ]  - [  -0.0001506300000000,  0.0000000000000000, -0.0056191400000000 ]  - [   0.0001436700000000, -0.0001436700000000, -0.0061184100000000 ]  - [   0.0000000000000000, -0.0001506300000000, -0.0056191400000000 ]  - [  -0.0001436700000000, -0.0001436700000000, -0.0061184100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023138100000000 ]  - [  -0.0002556700000000,  0.0000000000000000,  0.0047881900000000 ]  - [   0.0002556700000000,  0.0000000000000000,  0.0047881900000000 ]  - [   0.0000000000000000, -0.0002556700000000,  0.0047881900000000 ]  - [  -0.0001568700000000, -0.0001568700000000,  0.0051307600000000 ]  - [   0.0001568700000000, -0.0001568700000000,  0.0051307600000000 ]  - [   0.0000000000000000,  0.0002556700000000,  0.0047881900000000 ]  - [  -0.0001568700000000,  0.0001568700000000,  0.0051307600000000 ]  - [   0.0001568700000000,  0.0001568700000000,  0.0051307600000000 ]  - [   0.0014996300000000,  0.0000000000000000, -0.0017184900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002499200000000 ]  - [  -0.0014996300000000,  0.0000000000000000, -0.0017184900000000 ]  - [   0.0002748900000000,  0.0003485100000000, -0.0001671600000000 ]  - [   0.0000000000000000,  0.0001026100000000, -0.0000748900000000 ]  - [  -0.0002748900000000,  0.0003485100000000, -0.0001671600000000 ]  - [   0.0002748900000000, -0.0003485100000000, -0.0001671600000000 ]  - [   0.0000000000000000, -0.0001026100000000, -0.0000748900000000 ]  - [  -0.0002748900000000, -0.0003485100000000, -0.0001671600000000 ]  - [  -0.0101102200000000,  0.0000000000000000, -0.0061460100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000560700000000 ]  - [   0.0101102200000000,  0.0000000000000000, -0.0061460100000000 ]  - [  -0.0003485300000000, -0.0003589800000000, -0.0001558600000000 ]  - [   0.0000000000000000, -0.0000732100000000, -0.0000309900000000 ]  - [   0.0003485300000000, -0.0003589800000000, -0.0001558600000000 ]  - [  -0.0003485300000000,  0.0003589800000000, -0.0001558600000000 ]  - [   0.0000000000000000,  0.0000732100000000, -0.0000309900000000 ]  - [   0.0003485300000000,  0.0003589800000000, -0.0001558600000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0022182400000000,  0.0001099100000000,  0.0000000000000000 ]  - [  -0.0019777500000000,  0.0008185500000000,  0.0000000000000000 ]  - [  -0.0019702600000000, -0.0008227900000000,  0.0000000000000000 ]  - [   0.0022182400000000, -0.0001099100000000,  0.0000000000000000 ]  - [  -0.0019777500000000, -0.0008185500000000,  0.0000000000000000 ]  - [  -0.0019702600000000,  0.0008227900000000,  0.0000000000000000 ]  - [   0.0003089200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004249600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004239600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001768800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004690500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001767500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001926400000000, -0.0000447800000000,  0.0000000000000000 ]  - [  -0.0003772700000000,  0.0000002400000000,  0.0000000000000000 ]  - [   0.0001937000000000,  0.0000450400000000,  0.0000000000000000 ]  - [   0.0001926400000000,  0.0000447800000000,  0.0000000000000000 ]  - [  -0.0003772700000000, -0.0000002400000000,  0.0000000000000000 ]  - [   0.0001937000000000, -0.0000450400000000,  0.0000000000000000 ]  - [   0.0008531300000000,  0.0000003600000000, -0.0140265000000000 ]  - [  -0.0004236400000000,  0.0002926900000000, -0.0136429300000000 ]  - [  -0.0004235400000000, -0.0002945700000000, -0.0144108500000000 ]  - [   0.0008531300000000, -0.0000003600000000, -0.0140265000000000 ]  - [  -0.0004236400000000, -0.0002926900000000, -0.0136429300000000 ]  - [  -0.0004235400000000,  0.0002945700000000, -0.0144108500000000 ]  - [   0.0002560800000000,  0.0000000000000000, -0.0140260500000000 ]  - [  -0.0001264600000000,  0.0000000000000000, -0.0139823300000000 ]  - [  -0.0001259100000000,  0.0000000000000000, -0.0140701800000000 ]  - [   0.0033741600000000,  0.0000000000000000,  0.0132889300000000 ]  - [  -0.0018615500000000,  0.0000000000000000,  0.0140281300000000 ]  - [   0.0031852600000000,  0.0000000000000000,  0.0146105300000000 ]  - [   0.0002472200000000, -0.0008029600000000,  0.0143815100000000 ]  - [  -0.0006476900000000,  0.0000002600000000,  0.0140267800000000 ]  - [   0.0002450300000000,  0.0008009400000000,  0.0136734100000000 ]  - [   0.0002472200000000,  0.0008029600000000,  0.0143815100000000 ]  - [  -0.0006476900000000, -0.0000002600000000,  0.0140267800000000 ]  - [   0.0002450300000000, -0.0008009400000000,  0.0136734100000000 ]  - [   0.0033741600000000,  0.0000000000000000, -0.0132889300000000 ]  - [  -0.0018615500000000,  0.0000000000000000, -0.0140281300000000 ]  - [   0.0031852600000000,  0.0000000000000000, -0.0146105300000000 ]  - [   0.0002472200000000, -0.0008029600000000, -0.0143815100000000 ]  - [  -0.0006476900000000,  0.0000002600000000, -0.0140267800000000 ]  - [   0.0002450300000000,  0.0008009400000000, -0.0136734100000000 ]  - [   0.0002472200000000,  0.0008029600000000, -0.0143815100000000 ]  - [  -0.0006476900000000, -0.0000002600000000, -0.0140267800000000 ]  - [   0.0002450300000000, -0.0008009400000000, -0.0136734100000000 ]  - [   0.0008531300000000,  0.0000003600000000,  0.0140265000000000 ]  - [  -0.0004236400000000,  0.0002926900000000,  0.0136429300000000 ]  - [  -0.0004235400000000, -0.0002945700000000,  0.0144108500000000 ]  - [   0.0008531300000000, -0.0000003600000000,  0.0140265000000000 ]  - [  -0.0004236400000000, -0.0002926900000000,  0.0136429300000000 ]  - [  -0.0004235400000000,  0.0002945700000000,  0.0144108500000000 ]  - [   0.0002560800000000,  0.0000000000000000,  0.0140260500000000 ]  - [  -0.0001264600000000,  0.0000000000000000,  0.0139823300000000 ]  - [  -0.0001259100000000,  0.0000000000000000,  0.0140701800000000 ]  - [  -0.0037061900000000,  0.0000137300000000, -0.0053226100000000 ]  - [   0.0012631400000000, -0.0007987600000000, -0.0057041100000000 ]  - [   0.0012612900000000,  0.0008023500000000, -0.0049868300000000 ]  - [  -0.0037061900000000, -0.0000137300000000, -0.0053226100000000 ]  - [   0.0012631400000000,  0.0007987600000000, -0.0057041100000000 ]  - [   0.0012612900000000, -0.0008023500000000, -0.0049868300000000 ]  - [  -0.0007257800000000,  0.0000000000000000, -0.0053434700000000 ]  - [   0.0003851300000000,  0.0000000000000000, -0.0054167600000000 ]  - [   0.0003842800000000,  0.0000000000000000, -0.0052692000000000 ]  - [  -0.0001421500000000,  0.0000000000000000,  0.0038390500000000 ]  - [   0.0004931900000000,  0.0000000000000000,  0.0053432400000000 ]  - [  -0.0001478400000000,  0.0000000000000000,  0.0068451900000000 ]  - [  -0.0001605400000000,  0.0000752300000000,  0.0050680600000000 ]  - [   0.0003231400000000, -0.0000002300000000,  0.0053426700000000 ]  - [  -0.0001616300000000, -0.0000755200000000,  0.0056176500000000 ]  - [  -0.0001605400000000, -0.0000752300000000,  0.0050680600000000 ]  - [   0.0003231400000000,  0.0000002300000000,  0.0053426700000000 ]  - [  -0.0001616300000000,  0.0000755200000000,  0.0056176500000000 ]  - [  -0.0411209400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0032724400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0032327400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004386800000000, -0.0000156700000000,  0.0000000000000000 ]  - [   0.0005771800000000,  0.0005269100000000,  0.0000000000000000 ]  - [   0.0005743400000000, -0.0005244200000000,  0.0000000000000000 ]  - [  -0.0004386800000000,  0.0000156700000000,  0.0000000000000000 ]  - [   0.0005771800000000, -0.0005269100000000,  0.0000000000000000 ]  - [   0.0005743400000000,  0.0005244200000000,  0.0000000000000000 ]  - [  -0.0005023200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002499600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002483700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000549400000000, -0.0000001700000000,  0.0000000000000000 ]  - [   0.0000286400000000,  0.0001610000000000,  0.0000000000000000 ]  - [   0.0000279700000000, -0.0001618300000000,  0.0000000000000000 ]  - [  -0.0000549400000000,  0.0000001700000000,  0.0000000000000000 ]  - [   0.0000286400000000, -0.0001610000000000,  0.0000000000000000 ]  - [   0.0000279700000000,  0.0001618300000000,  0.0000000000000000 ]  - [  -0.0001421500000000,  0.0000000000000000, -0.0038390500000000 ]  - [   0.0004931900000000,  0.0000000000000000, -0.0053432400000000 ]  - [  -0.0001478400000000,  0.0000000000000000, -0.0068451900000000 ]  - [  -0.0001605400000000,  0.0000752300000000, -0.0050680600000000 ]  - [   0.0003231400000000, -0.0000002300000000, -0.0053426700000000 ]  - [  -0.0001616300000000, -0.0000755200000000, -0.0056176500000000 ]  - [  -0.0001605400000000, -0.0000752300000000, -0.0050680600000000 ]  - [   0.0003231400000000,  0.0000002300000000, -0.0053426700000000 ]  - [  -0.0001616300000000,  0.0000755200000000, -0.0056176500000000 ]  - [  -0.0037061900000000,  0.0000137300000000,  0.0053226100000000 ]  - [   0.0012631400000000, -0.0007987600000000,  0.0057041100000000 ]  - [   0.0012612900000000,  0.0008023500000000,  0.0049868300000000 ]  - [  -0.0037061900000000, -0.0000137300000000,  0.0053226100000000 ]  - [   0.0012631400000000,  0.0007987600000000,  0.0057041100000000 ]  - [   0.0012612900000000, -0.0008023500000000,  0.0049868300000000 ]  - [  -0.0007257800000000,  0.0000000000000000,  0.0053434700000000 ]  - [   0.0003851300000000,  0.0000000000000000,  0.0054167600000000 ]  - [   0.0003842800000000,  0.0000000000000000,  0.0052692000000000 ]  - [  -0.0002603700000000, -0.0002323800000000,  0.0000000000000000 ]  - [   0.0005266600000000, -0.0000005900000000,  0.0000000000000000 ]  - [  -0.0002617200000000,  0.0002314100000000,  0.0000000000000000 ]  - [  -0.0002603700000000,  0.0002323800000000,  0.0000000000000000 ]  - [   0.0005266600000000,  0.0000005900000000,  0.0000000000000000 ]  - [  -0.0002617200000000, -0.0002314100000000,  0.0000000000000000 ]  - [  -0.0001038100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002092500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001047200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0075471300000000, -0.0116426000000000,  0.0000000000000000 ]  - [   0.0011725500000000,  0.0000015100000000,  0.0000000000000000 ]  - [   0.0075533600000000,  0.0115692400000000,  0.0000000000000000 ]  - [   0.0075471300000000,  0.0116426000000000,  0.0000000000000000 ]  - [   0.0011725500000000, -0.0000015100000000,  0.0000000000000000 ]  - [   0.0075533600000000, -0.0115692400000000,  0.0000000000000000 ]  - [  -0.0000736400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003032600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000738300000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0300038100000000,  0.0000000000000000 ]  - [   0.0021374300000000,  0.0002323000000000,  0.0000000000000000 ]  - [  -0.0021374300000000,  0.0002323000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0322743700000000,  0.0000000000000000 ]  - [  -0.0021549700000000,  0.0002420900000000,  0.0000000000000000 ]  - [   0.0021549700000000,  0.0002420900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0030324300000000,  0.0000000000000000 ]  - [  -0.0000006200000000, -0.0007103600000000,  0.0000000000000000 ]  - [   0.0000006200000000, -0.0007103600000000,  0.0000000000000000 ]  - [  -0.0000008200000000,  0.0002973400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000592700000000,  0.0000000000000000 ]  - [   0.0000008200000000,  0.0002973400000000,  0.0000000000000000 ]  - [  -0.0000945500000000, -0.0001342800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000251400000000,  0.0000000000000000 ]  - [   0.0000945500000000, -0.0001342800000000,  0.0000000000000000 ]  - [   0.0000937700000000, -0.0001351200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000276500000000,  0.0000000000000000 ]  - [  -0.0000937700000000, -0.0001351200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002132400000000, -0.0148781900000000 ]  - [   0.0000524400000000,  0.0001130000000000, -0.0140102700000000 ]  - [  -0.0000524400000000,  0.0001130000000000, -0.0140102700000000 ]  - [   0.0000000000000000,  0.0002174500000000, -0.0131720100000000 ]  - [  -0.0000522100000000,  0.0001151300000000, -0.0140467700000000 ]  - [   0.0000522100000000,  0.0001151300000000, -0.0140467700000000 ]  - [   0.0000000000000000, -0.0003538600000000, -0.0140274100000000 ]  - [  -0.0000004800000000, -0.0001901100000000, -0.0140274500000000 ]  - [   0.0000004800000000, -0.0001901100000000, -0.0140274500000000 ]  - [  -0.0000004500000000,  0.0047125300000000,  0.0140291400000000 ]  - [   0.0000000000000000,  0.0001475400000000,  0.0140275100000000 ]  - [   0.0000004500000000,  0.0047125300000000,  0.0140291400000000 ]  - [  -0.0009617300000000, -0.0012880400000000,  0.0149590400000000 ]  - [   0.0000000000000000, -0.0001447000000000,  0.0141755000000000 ]  - [   0.0009617300000000, -0.0012880400000000,  0.0149590400000000 ]  - [   0.0009565700000000, -0.0012833500000000,  0.0131028900000000 ]  - [   0.0000000000000000, -0.0001466200000000,  0.0138810900000000 ]  - [  -0.0009565700000000, -0.0012833500000000,  0.0131028900000000 ]  - [  -0.0000004500000000,  0.0047125300000000, -0.0140291400000000 ]  - [   0.0000000000000000,  0.0001475400000000, -0.0140275100000000 ]  - [   0.0000004500000000,  0.0047125300000000, -0.0140291400000000 ]  - [  -0.0009617300000000, -0.0012880400000000, -0.0149590400000000 ]  - [   0.0000000000000000, -0.0001447000000000, -0.0141755000000000 ]  - [   0.0009617300000000, -0.0012880400000000, -0.0149590400000000 ]  - [   0.0009565700000000, -0.0012833500000000, -0.0131028900000000 ]  - [   0.0000000000000000, -0.0001466200000000, -0.0138810900000000 ]  - [  -0.0009565700000000, -0.0012833500000000, -0.0131028900000000 ]  - [   0.0000000000000000,  0.0002132400000000,  0.0148781900000000 ]  - [   0.0000524400000000,  0.0001130000000000,  0.0140102700000000 ]  - [  -0.0000524400000000,  0.0001130000000000,  0.0140102700000000 ]  - [   0.0000000000000000,  0.0002174500000000,  0.0131720100000000 ]  - [  -0.0000522100000000,  0.0001151300000000,  0.0140467700000000 ]  - [   0.0000522100000000,  0.0001151300000000,  0.0140467700000000 ]  - [   0.0000000000000000, -0.0003538600000000,  0.0140274100000000 ]  - [  -0.0000004800000000, -0.0001901100000000,  0.0140274500000000 ]  - [   0.0000004800000000, -0.0001901100000000,  0.0140274500000000 ]  - [   0.0000000000000000,  0.0036469600000000,  0.0047845000000000 ]  - [  -0.0001129600000000, -0.0002545400000000, -0.0049953200000000 ]  - [   0.0001129600000000, -0.0002545400000000, -0.0049953200000000 ]  - [   0.0000000000000000,  0.0036387300000000, -0.0155483300000000 ]  - [   0.0001109700000000, -0.0002618100000000, -0.0056915300000000 ]  - [  -0.0001109700000000, -0.0002618100000000, -0.0056915300000000 ]  - [   0.0000000000000000,  0.0008891700000000, -0.0053430800000000 ]  - [   0.0000010500000000,  0.0005892800000000, -0.0053429100000000 ]  - [  -0.0000010500000000,  0.0005892800000000, -0.0053429100000000 ]  - [   0.0000008300000000, -0.0001526800000000,  0.0053462200000000 ]  - [   0.0000000000000000, -0.0000692800000000,  0.0053442100000000 ]  - [  -0.0000008300000000, -0.0001526800000000,  0.0053462200000000 ]  - [   0.0000673000000000,  0.0000682000000000,  0.0049942400000000 ]  - [   0.0000000000000000,  0.0000295900000000,  0.0052390500000000 ]  - [  -0.0000673000000000,  0.0000682000000000,  0.0049942400000000 ]  - [  -0.0000664600000000,  0.0000698600000000,  0.0056889300000000 ]  - [   0.0000000000000000,  0.0000311100000000,  0.0054461400000000 ]  - [   0.0000664600000000,  0.0000698600000000,  0.0056889300000000 ]  - [   0.0000000000000000, -0.1328118300000000,  0.0000000000000000 ]  - [  -0.0000028700000000, -0.0006616200000000,  0.0000000000000000 ]  - [   0.0000028700000000, -0.0006616200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0076398900000000,  0.0000000000000000 ]  - [   0.0005278200000000,  0.0005342600000000,  0.0000000000000000 ]  - [  -0.0005278200000000,  0.0005342600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0075667800000000,  0.0000000000000000 ]  - [  -0.0005237500000000,  0.0005338900000000,  0.0000000000000000 ]  - [   0.0005237500000000,  0.0005338900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005026600000000,  0.0000000000000000 ]  - [   0.0000008900000000, -0.0000555100000000,  0.0000000000000000 ]  - [  -0.0000008900000000, -0.0000555100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002491500000000,  0.0000000000000000 ]  - [   0.0000782800000000,  0.0000277600000000,  0.0000000000000000 ]  - [  -0.0000782800000000,  0.0000277600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002496500000000,  0.0000000000000000 ]  - [  -0.0000782900000000,  0.0000291000000000,  0.0000000000000000 ]  - [   0.0000782900000000,  0.0000291000000000,  0.0000000000000000 ]  - [   0.0000008300000000, -0.0001526800000000, -0.0053462200000000 ]  - [   0.0000000000000000, -0.0000692800000000, -0.0053442100000000 ]  - [  -0.0000008300000000, -0.0001526800000000, -0.0053462200000000 ]  - [   0.0000673000000000,  0.0000682000000000, -0.0049942400000000 ]  - [   0.0000000000000000,  0.0000295900000000, -0.0052390500000000 ]  - [  -0.0000673000000000,  0.0000682000000000, -0.0049942400000000 ]  - [  -0.0000664600000000,  0.0000698600000000, -0.0056889300000000 ]  - [   0.0000000000000000,  0.0000311100000000, -0.0054461400000000 ]  - [   0.0000664600000000,  0.0000698600000000, -0.0056889300000000 ]  - [   0.0000000000000000,  0.0036469600000000, -0.0047845000000000 ]  - [  -0.0001129600000000, -0.0002545400000000,  0.0049953200000000 ]  - [   0.0001129600000000, -0.0002545400000000,  0.0049953200000000 ]  - [   0.0000000000000000,  0.0036387300000000,  0.0155483300000000 ]  - [   0.0001109700000000, -0.0002618100000000,  0.0056915300000000 ]  - [  -0.0001109700000000, -0.0002618100000000,  0.0056915300000000 ]  - [   0.0000000000000000,  0.0008891700000000,  0.0053430800000000 ]  - [   0.0000010500000000,  0.0005892800000000,  0.0053429100000000 ]  - [  -0.0000010500000000,  0.0005892800000000,  0.0053429100000000 ]  - [  -0.0002309400000000, -0.0000460500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000236400000000,  0.0000000000000000 ]  - [   0.0002309400000000, -0.0000460500000000,  0.0000000000000000 ]  - [   0.0002328400000000, -0.0000460200000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000215300000000,  0.0000000000000000 ]  - [  -0.0002328400000000, -0.0000460200000000,  0.0000000000000000 ]  - [   0.0000005900000000,  0.0001307400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000171100000000,  0.0000000000000000 ]  - [  -0.0000005900000000,  0.0001307400000000,  0.0000000000000000 ]  - [  -0.0163380700000000,  0.0075514800000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000718100000000,  0.0000000000000000 ]  - [   0.0163380700000000,  0.0075514800000000,  0.0000000000000000 ]  - [   0.0164768200000000,  0.0075479300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000756400000000,  0.0000000000000000 ]  - [  -0.0164768200000000,  0.0075479300000000,  0.0000000000000000 ]  - [  -0.0000013300000000,  0.0011738800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003039700000000,  0.0000000000000000 ]  - [   0.0000013300000000,  0.0011738800000000,  0.0000000000000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0001208000000000,  0.0037577700000000 ]  - [   0.0000010600000000,  0.0000029300000000,  0.0013812400000000 ]  - [  -0.0000010600000000,  0.0000029300000000,  0.0013812400000000 ]  - [   0.0000000000000000, -0.0001208000000000,  0.0037577700000000 ]  - [   0.0000010600000000, -0.0000029300000000,  0.0013812400000000 ]  - [  -0.0000010600000000, -0.0000029300000000,  0.0013812400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001567300000000 ]  - [  -0.0000002700000000,  0.0000000000000000,  0.0004286500000000 ]  - [   0.0000002700000000,  0.0000000000000000,  0.0004286500000000 ]  - [   0.0000002600000000,  0.0000000000000000, -0.0009326400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003480000000000 ]  - [  -0.0000002600000000,  0.0000000000000000, -0.0009326400000000 ]  - [   0.0000004100000000, -0.0000043700000000, -0.0003360600000000 ]  - [   0.0000000000000000, -0.0000035200000000, -0.0002974700000000 ]  - [  -0.0000004100000000, -0.0000043700000000, -0.0003360600000000 ]  - [   0.0000004100000000,  0.0000043700000000, -0.0003360600000000 ]  - [   0.0000000000000000,  0.0000035200000000, -0.0002974700000000 ]  - [  -0.0000004100000000,  0.0000043700000000, -0.0003360600000000 ]  - [   0.0000000000000000, -0.0003326500000000, -0.0152270700000000 ]  - [   0.0002290600000000, -0.0001968300000000, -0.0145962800000000 ]  - [  -0.0002290600000000, -0.0001968300000000, -0.0145962800000000 ]  - [   0.0000000000000000,  0.0003326500000000, -0.0152270700000000 ]  - [   0.0002290600000000,  0.0001968300000000, -0.0145962800000000 ]  - [  -0.0002290600000000,  0.0001968300000000, -0.0145962800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0142612300000000 ]  - [   0.0000116200000000,  0.0000000000000000, -0.0142248300000000 ]  - [  -0.0000116200000000,  0.0000000000000000, -0.0142248300000000 ]  - [  -0.0003798000000000,  0.0000000000000000,  0.0177695100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0145917800000000 ]  - [   0.0003798000000000,  0.0000000000000000,  0.0177695100000000 ]  - [   0.0001965800000000,  0.0005401400000000,  0.0144448600000000 ]  - [   0.0000000000000000,  0.0002341000000000,  0.0143092000000000 ]  - [  -0.0001965800000000,  0.0005401400000000,  0.0144448600000000 ]  - [   0.0001965800000000, -0.0005401400000000,  0.0144448600000000 ]  - [   0.0000000000000000, -0.0002341000000000,  0.0143092000000000 ]  - [  -0.0001965800000000, -0.0005401400000000,  0.0144448600000000 ]  - [   0.0005262000000000,  0.0000000000000000, -0.0101466400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0134606200000000 ]  - [  -0.0005262000000000,  0.0000000000000000, -0.0101466400000000 ]  - [  -0.0001973700000000, -0.0005405400000000, -0.0135996300000000 ]  - [   0.0000000000000000, -0.0002338500000000, -0.0137388300000000 ]  - [   0.0001973700000000, -0.0005405400000000, -0.0135996300000000 ]  - [  -0.0001973700000000,  0.0005405400000000, -0.0135996300000000 ]  - [   0.0000000000000000,  0.0002338500000000, -0.0137388300000000 ]  - [   0.0001973700000000,  0.0005405400000000, -0.0135996300000000 ]  - [   0.0000000000000000,  0.0003300600000000,  0.0128159500000000 ]  - [  -0.0002296200000000,  0.0001961900000000,  0.0134518100000000 ]  - [   0.0002296200000000,  0.0001961900000000,  0.0134518100000000 ]  - [   0.0000000000000000, -0.0003300600000000,  0.0128159500000000 ]  - [  -0.0002296200000000, -0.0001961900000000,  0.0134518100000000 ]  - [   0.0002296200000000, -0.0001961900000000,  0.0134518100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0137900300000000 ]  - [  -0.0000120400000000,  0.0000000000000000,  0.0138240600000000 ]  - [   0.0000120400000000,  0.0000000000000000,  0.0138240600000000 ]  - [   0.0000000000000000,  0.0078381700000000,  0.0008069700000000 ]  - [  -0.0008529400000000,  0.0009267000000000, -0.0051889300000000 ]  - [   0.0008529400000000,  0.0009267000000000, -0.0051889300000000 ]  - [   0.0000000000000000, -0.0078381700000000,  0.0008069700000000 ]  - [  -0.0008529400000000, -0.0009267000000000, -0.0051889300000000 ]  - [   0.0008529400000000, -0.0009267000000000, -0.0051889300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0052863000000000 ]  - [  -0.0001087900000000,  0.0000000000000000, -0.0053114100000000 ]  - [   0.0001087900000000,  0.0000000000000000, -0.0053114100000000 ]  - [  -0.0001272800000000,  0.0000000000000000,  0.0070574300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055921300000000 ]  - [   0.0001272800000000,  0.0000000000000000,  0.0070574300000000 ]  - [  -0.0000672900000000, -0.0001935400000000,  0.0055067800000000 ]  - [   0.0000000000000000, -0.0001189600000000,  0.0054157000000000 ]  - [   0.0000672900000000, -0.0001935400000000,  0.0055067800000000 ]  - [  -0.0000672900000000,  0.0001935400000000,  0.0055067800000000 ]  - [   0.0000000000000000,  0.0001189600000000,  0.0054157000000000 ]  - [   0.0000672900000000,  0.0001935400000000,  0.0055067800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0315499700000000 ]  - [  -0.0000006000000000,  0.0000000000000000, -0.0024390500000000 ]  - [   0.0000006000000000,  0.0000000000000000, -0.0024390500000000 ]  - [   0.0000000000000000, -0.0000136700000000, -0.0001531800000000 ]  - [  -0.0000001800000000, -0.0000039800000000, -0.0004583200000000 ]  - [   0.0000001800000000, -0.0000039800000000, -0.0004583200000000 ]  - [   0.0000000000000000,  0.0000136700000000, -0.0001531800000000 ]  - [  -0.0000001800000000,  0.0000039800000000, -0.0004583200000000 ]  - [   0.0000001800000000,  0.0000039800000000, -0.0004583200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007239100000000 ]  - [   0.0000042300000000,  0.0000000000000000,  0.0004157700000000 ]  - [  -0.0000042300000000,  0.0000000000000000,  0.0004157700000000 ]  - [   0.0000000000000000,  0.0000021300000000,  0.0004154300000000 ]  - [   0.0000044900000000,  0.0000013600000000,  0.0002736100000000 ]  - [  -0.0000044900000000,  0.0000013600000000,  0.0002736100000000 ]  - [   0.0000000000000000, -0.0000021300000000,  0.0004154300000000 ]  - [   0.0000044900000000, -0.0000013600000000,  0.0002736100000000 ]  - [  -0.0000044900000000, -0.0000013600000000,  0.0002736100000000 ]  - [   0.0001304700000000,  0.0000000000000000, -0.0036283200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0050934500000000 ]  - [  -0.0001304700000000,  0.0000000000000000, -0.0036283200000000 ]  - [   0.0000676900000000,  0.0001944500000000, -0.0051735000000000 ]  - [   0.0000000000000000,  0.0001189300000000, -0.0052660000000000 ]  - [  -0.0000676900000000,  0.0001944500000000, -0.0051735000000000 ]  - [   0.0000676900000000, -0.0001944500000000, -0.0051735000000000 ]  - [   0.0000000000000000, -0.0001189300000000, -0.0052660000000000 ]  - [  -0.0000676900000000, -0.0001944500000000, -0.0051735000000000 ]  - [   0.0000000000000000, -0.0079111800000000,  0.0115257100000000 ]  - [   0.0008560300000000, -0.0009238200000000,  0.0054963400000000 ]  - [  -0.0008560300000000, -0.0009238200000000,  0.0054963400000000 ]  - [   0.0000000000000000,  0.0079111800000000,  0.0115257100000000 ]  - [   0.0008560300000000,  0.0009238200000000,  0.0054963400000000 ]  - [  -0.0008560300000000,  0.0009238200000000,  0.0054963400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053961800000000 ]  - [   0.0001093000000000,  0.0000000000000000,  0.0053718100000000 ]  - [  -0.0001093000000000,  0.0000000000000000,  0.0053718100000000 ]  - [   0.0000006200000000,  0.0000076600000000,  0.0005472000000000 ]  - [   0.0000000000000000,  0.0000073900000000,  0.0003601700000000 ]  - [  -0.0000006200000000,  0.0000076600000000,  0.0005472000000000 ]  - [   0.0000006200000000, -0.0000076600000000,  0.0005472000000000 ]  - [   0.0000000000000000, -0.0000073900000000,  0.0003601700000000 ]  - [  -0.0000006200000000, -0.0000076600000000,  0.0005472000000000 ]  - [  -0.0000002300000000,  0.0000000000000000,  0.0001671000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001536600000000 ]  - [   0.0000002300000000,  0.0000000000000000,  0.0001671000000000 ]  - [  -0.0000275300000000,  0.0000242700000000, -0.0052584200000000 ]  - [   0.0000000000000000,  0.0000003200000000, -0.0005458600000000 ]  - [   0.0000275300000000,  0.0000242700000000, -0.0052584200000000 ]  - [  -0.0000275300000000, -0.0000242700000000, -0.0052584200000000 ]  - [   0.0000000000000000, -0.0000003200000000, -0.0005458600000000 ]  - [   0.0000275300000000, -0.0000242700000000, -0.0052584200000000 ]  - [  -0.0000017900000000,  0.0000000000000000, -0.0005455200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003365100000000 ]  - [   0.0000017900000000,  0.0000000000000000, -0.0005455200000000 ]