# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fa5af238-c822-491e-8262-954ba5e117da/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 TeRhCl / C2/m (12) / materials id 22945](https://mdr.nims.go.jp/datasets/4ecdd288-40d9-4a55-ae82-3ca52756aef9)

## 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: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     6.306448315000000,    -1.832952700000000,    -0.201823785000000 ] # a  - [     6.306448315000000,     1.832952700000000,    -0.201823785000000 ] # b  - [    -3.082627420000000,     0.000000000000000,     5.904117369999999 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.368178450000000,  0.368178450000000,  0.034708480000000 ]    mass: 35.453000  - symbol: Cl # 2    coordinates: [  0.631821550000000,  0.631821550000000,  0.965291520000000 ]    mass: 35.453000  - symbol: Rh # 3    coordinates: [  0.251074790000000,  0.251074790000000,  0.244987400000000 ]    mass: 102.905500  - symbol: Rh # 4    coordinates: [  0.748925210000000,  0.748925210000000,  0.755012600000000 ]    mass: 102.905500  - symbol: Te # 5    coordinates: [  0.868778550000000,  0.868778550000000,  0.535572820000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.131221450000000,  0.131221450000000,  0.464427180000000 ]    mass: 127.600000  reciprocal_lattice: # without 2pi  - [     0.080631205361079,    -0.272783907626203,     0.042098750579837 ] # a*  - [     0.080631205361079,     0.272783907626203,     0.042098750579837 ] # b*  - [     0.005512524238686,     0.000000000000000,     0.172251497495482 ] # c*unit_cell:  lattice:  - [    12.612896630000000,     0.000000000000000,    -0.403647570000000 ] # a  - [     0.000000000000000,     3.665905400000000,     0.000000000000000 ] # b  - [    -3.082627420000000,     0.000000000000000,     5.904117370000000 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.368178450000000,  0.000000000000000,  0.034708480000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.131821550000000,  0.500000000000000,  0.965291520000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Cl # 3    coordinates: [  0.868178450000000,  0.500000000000000,  0.034708480000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 4    coordinates: [  0.631821550000000,  0.000000000000000,  0.965291520000000 ]    mass: 35.453000    reduced_to: 2  - symbol: Rh # 5    coordinates: [  0.251074790000000,  0.000000000000000,  0.244987400000000 ]    mass: 102.905500    reduced_to: 5  - symbol: Rh # 6    coordinates: [  0.248925210000000,  0.500000000000000,  0.755012600000000 ]    mass: 102.905500    reduced_to: 6  - symbol: Rh # 7    coordinates: [  0.751074790000000,  0.500000000000000,  0.244987400000000 ]    mass: 102.905500    reduced_to: 5  - symbol: Rh # 8    coordinates: [  0.748925210000000,  0.000000000000000,  0.755012600000000 ]    mass: 102.905500    reduced_to: 6  - symbol: Te # 9    coordinates: [  0.368778550000000,  0.500000000000000,  0.535572820000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 10    coordinates: [  0.131221450000000,  0.000000000000000,  0.464427180000000 ]    mass: 127.600000    reduced_to: 10  - symbol: Te # 11    coordinates: [  0.868778550000000,  0.000000000000000,  0.535572820000000 ]    mass: 127.600000    reduced_to: 9  - symbol: Te # 12    coordinates: [  0.631221450000000,  0.500000000000000,  0.464427180000000 ]    mass: 127.600000    reduced_to: 10supercell:  lattice:  - [    12.612896630000000,     0.000000000000000,    -0.403647570000000 ] # a  - [     0.000000000000000,    14.663621600000001,     0.000000000000000 ] # b  - [    -9.247882260000001,     0.000000000000000,    17.712352109999998 ] # c  points:  - symbol: Cl # 1    coordinates: [  0.368178450000000,  0.000000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 2    coordinates: [  0.368178450000000,  0.250000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 3    coordinates: [  0.368178450000000,  0.500000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 4    coordinates: [  0.368178450000000,  0.750000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 5    coordinates: [  0.368178450000000,  0.000000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 6    coordinates: [  0.368178450000000,  0.250000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 7    coordinates: [  0.368178450000000,  0.500000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 8    coordinates: [  0.368178450000000,  0.750000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 9    coordinates: [  0.368178450000000,  0.000000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 10    coordinates: [  0.368178450000000,  0.250000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 11    coordinates: [  0.368178450000000,  0.500000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 12    coordinates: [  0.368178450000000,  0.750000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 13    coordinates: [  0.131821550000000,  0.125000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.131821550000000,  0.375000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 15    coordinates: [  0.131821550000000,  0.625000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 16    coordinates: [  0.131821550000000,  0.875000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 17    coordinates: [  0.131821550000000,  0.125000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 18    coordinates: [  0.131821550000000,  0.375000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 19    coordinates: [  0.131821550000000,  0.625000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 20    coordinates: [  0.131821550000000,  0.875000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 21    coordinates: [  0.131821550000000,  0.125000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 22    coordinates: [  0.131821550000000,  0.375000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 23    coordinates: [  0.131821550000000,  0.625000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 24    coordinates: [  0.131821550000000,  0.875000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 25    coordinates: [  0.868178450000000,  0.125000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 26    coordinates: [  0.868178450000000,  0.375000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 27    coordinates: [  0.868178450000000,  0.625000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 28    coordinates: [  0.868178450000000,  0.875000000000000,  0.011569493333333 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 29    coordinates: [  0.868178450000000,  0.125000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 30    coordinates: [  0.868178450000000,  0.375000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 31    coordinates: [  0.868178450000000,  0.625000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 32    coordinates: [  0.868178450000000,  0.875000000000000,  0.344902826666667 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 33    coordinates: [  0.868178450000000,  0.125000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 34    coordinates: [  0.868178450000000,  0.375000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 35    coordinates: [  0.868178450000000,  0.625000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 36    coordinates: [  0.868178450000000,  0.875000000000000,  0.678236160000000 ]    mass: 35.453000    reduced_to: 1  - symbol: Cl # 37    coordinates: [  0.631821550000000,  0.000000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 38    coordinates: [  0.631821550000000,  0.250000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 39    coordinates: [  0.631821550000000,  0.500000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 40    coordinates: [  0.631821550000000,  0.750000000000000,  0.321763840000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 41    coordinates: [  0.631821550000000,  0.000000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 42    coordinates: [  0.631821550000000,  0.250000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 43    coordinates: [  0.631821550000000,  0.500000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 44    coordinates: [  0.631821550000000,  0.750000000000000,  0.655097173333333 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 45    coordinates: [  0.631821550000000,  0.000000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 46    coordinates: [  0.631821550000000,  0.250000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 47    coordinates: [  0.631821550000000,  0.500000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 48    coordinates: [  0.631821550000000,  0.750000000000000,  0.988430506666667 ]    mass: 35.453000    reduced_to: 13  - symbol: Rh # 49    coordinates: [  0.251074790000000,  0.000000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 50    coordinates: [  0.251074790000000,  0.250000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 51    coordinates: [  0.251074790000000,  0.500000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 52    coordinates: [  0.251074790000000,  0.750000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 53    coordinates: [  0.251074790000000,  0.000000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 54    coordinates: [  0.251074790000000,  0.250000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 55    coordinates: [  0.251074790000000,  0.500000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 56    coordinates: [  0.251074790000000,  0.750000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 57    coordinates: [  0.251074790000000,  0.000000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 58    coordinates: [  0.251074790000000,  0.250000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 59    coordinates: [  0.251074790000000,  0.500000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 60    coordinates: [  0.251074790000000,  0.750000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 61    coordinates: [  0.248925210000000,  0.125000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 62    coordinates: [  0.248925210000000,  0.375000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 63    coordinates: [  0.248925210000000,  0.625000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 64    coordinates: [  0.248925210000000,  0.875000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 65    coordinates: [  0.248925210000000,  0.125000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 66    coordinates: [  0.248925210000000,  0.375000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 67    coordinates: [  0.248925210000000,  0.625000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 68    coordinates: [  0.248925210000000,  0.875000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 69    coordinates: [  0.248925210000000,  0.125000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 70    coordinates: [  0.248925210000000,  0.375000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 71    coordinates: [  0.248925210000000,  0.625000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 72    coordinates: [  0.248925210000000,  0.875000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 73    coordinates: [  0.751074790000000,  0.125000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 74    coordinates: [  0.751074790000000,  0.375000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 75    coordinates: [  0.751074790000000,  0.625000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 76    coordinates: [  0.751074790000000,  0.875000000000000,  0.081662466666667 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 77    coordinates: [  0.751074790000000,  0.125000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 78    coordinates: [  0.751074790000000,  0.375000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 79    coordinates: [  0.751074790000000,  0.625000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 80    coordinates: [  0.751074790000000,  0.875000000000000,  0.414995800000000 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 81    coordinates: [  0.751074790000000,  0.125000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 82    coordinates: [  0.751074790000000,  0.375000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 83    coordinates: [  0.751074790000000,  0.625000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 84    coordinates: [  0.751074790000000,  0.875000000000000,  0.748329133333333 ]    mass: 102.905500    reduced_to: 49  - symbol: Rh # 85    coordinates: [  0.748925210000000,  0.000000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 86    coordinates: [  0.748925210000000,  0.250000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 87    coordinates: [  0.748925210000000,  0.500000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 88    coordinates: [  0.748925210000000,  0.750000000000000,  0.251670866666667 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 89    coordinates: [  0.748925210000000,  0.000000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 90    coordinates: [  0.748925210000000,  0.250000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 91    coordinates: [  0.748925210000000,  0.500000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 92    coordinates: [  0.748925210000000,  0.750000000000000,  0.585004200000000 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 93    coordinates: [  0.748925210000000,  0.000000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 94    coordinates: [  0.748925210000000,  0.250000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 95    coordinates: [  0.748925210000000,  0.500000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Rh # 96    coordinates: [  0.748925210000000,  0.750000000000000,  0.918337533333333 ]    mass: 102.905500    reduced_to: 61  - symbol: Te # 97    coordinates: [  0.368778550000000,  0.125000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 98    coordinates: [  0.368778550000000,  0.375000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 99    coordinates: [  0.368778550000000,  0.625000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 100    coordinates: [  0.368778550000000,  0.875000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 101    coordinates: [  0.368778550000000,  0.125000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 102    coordinates: [  0.368778550000000,  0.375000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 103    coordinates: [  0.368778550000000,  0.625000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 104    coordinates: [  0.368778550000000,  0.875000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 105    coordinates: [  0.368778550000000,  0.125000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 106    coordinates: [  0.368778550000000,  0.375000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 107    coordinates: [  0.368778550000000,  0.625000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 108    coordinates: [  0.368778550000000,  0.875000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 109    coordinates: [  0.131221450000000,  0.000000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 110    coordinates: [  0.131221450000000,  0.250000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 111    coordinates: [  0.131221450000000,  0.500000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 112    coordinates: [  0.131221450000000,  0.750000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 113    coordinates: [  0.131221450000000,  0.000000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 114    coordinates: [  0.131221450000000,  0.250000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 115    coordinates: [  0.131221450000000,  0.500000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 116    coordinates: [  0.131221450000000,  0.750000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 117    coordinates: [  0.131221450000000,  0.000000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 118    coordinates: [  0.131221450000000,  0.250000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 119    coordinates: [  0.131221450000000,  0.500000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 120    coordinates: [  0.131221450000000,  0.750000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 121    coordinates: [  0.868778550000000,  0.000000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 122    coordinates: [  0.868778550000000,  0.250000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 123    coordinates: [  0.868778550000000,  0.500000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 124    coordinates: [  0.868778550000000,  0.750000000000000,  0.178524273333333 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 125    coordinates: [  0.868778550000000,  0.000000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 126    coordinates: [  0.868778550000000,  0.250000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 127    coordinates: [  0.868778550000000,  0.500000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 128    coordinates: [  0.868778550000000,  0.750000000000000,  0.511857606666667 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 129    coordinates: [  0.868778550000000,  0.000000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 130    coordinates: [  0.868778550000000,  0.250000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 131    coordinates: [  0.868778550000000,  0.500000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 132    coordinates: [  0.868778550000000,  0.750000000000000,  0.845190940000000 ]    mass: 127.600000    reduced_to: 97  - symbol: Te # 133    coordinates: [  0.631221450000000,  0.125000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 134    coordinates: [  0.631221450000000,  0.375000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 135    coordinates: [  0.631221450000000,  0.625000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 136    coordinates: [  0.631221450000000,  0.875000000000000,  0.154809060000000 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 137    coordinates: [  0.631221450000000,  0.125000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 138    coordinates: [  0.631221450000000,  0.375000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 139    coordinates: [  0.631221450000000,  0.625000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 140    coordinates: [  0.631221450000000,  0.875000000000000,  0.488142393333333 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 141    coordinates: [  0.631221450000000,  0.125000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 142    coordinates: [  0.631221450000000,  0.375000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 143    coordinates: [  0.631221450000000,  0.625000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109  - symbol: Te # 144    coordinates: [  0.631221450000000,  0.875000000000000,  0.821475726666667 ]    mass: 127.600000    reduced_to: 109born_effective_charge:- # 1 (Cl)  - [ -1.084866720000000, -0.000000000000000,  0.870538990000000 ]  - [ -0.000000000000000, -2.404015070000000, -0.000000000000000 ]  - [  0.533298440000000, -0.000000000000000, -2.049574870000000 ]- # 2 (Cl)  - [ -1.084866720000000, -0.000000000000000,  0.870538990000000 ]  - [ -0.000000000000000, -2.404015070000000, -0.000000000000000 ]  - [  0.533298440000000, -0.000000000000000, -2.049574870000000 ]- # 3 (Rh)  - [ -0.378091410000000,  0.000000000000000, -1.002355000000000 ]  - [  0.000000000000000,  0.389026820000000,  0.000000000000000 ]  - [ -0.631776480000000,  0.000000000000000,  0.739343330000000 ]- # 4 (Rh)  - [ -0.378091410000000,  0.000000000000000, -1.002355000000000 ]  - [  0.000000000000000,  0.389026820000000,  0.000000000000000 ]  - [ -0.631776480000000,  0.000000000000000,  0.739343330000000 ]- # 5 (Te)  - [  1.462958130000000,  0.000000000000000,  0.131816000000000 ]  - [  0.000000000000000,  2.014988260000000, -0.000000000000000 ]  - [  0.098478050000000,  0.000000000000000,  1.310231540000000 ]- # 6 (Te)  - [  1.462958130000000,  0.000000000000000,  0.131816000000000 ]  - [  0.000000000000000,  2.014988260000000, -0.000000000000000 ]  - [  0.098478050000000,  0.000000000000000,  1.310231540000000 ]dielectric_constant:  - [ 13.058816190000000,  0.000000000000000, -2.298810990000000 ]  - [  0.000000000000000, 15.033897570000001,  0.000000000000000 ]  - [ -2.298820480000000,  0.000000000000000, 12.120111880000000 ]displacements:- atom:    1  displacement:    [   0.0099948830452462,  0.0000000000000000, -0.0003198638958201 ]  forces:  - [  -0.0322662400000000,  0.0000000000000000,  0.0240337000000000 ]  - [   0.0155426600000000,  0.0006197000000000,  0.0211561300000000 ]  - [   0.0156738700000000,  0.0000000000000000,  0.0208313000000000 ]  - [   0.0155426600000000, -0.0006197000000000,  0.0211561300000000 ]  - [   0.0159040100000000,  0.0000000000000000,  0.0211975600000000 ]  - [   0.0158960300000000, -0.0001477300000000,  0.0208152600000000 ]  - [   0.0157761000000000,  0.0000000000000000,  0.0209215300000000 ]  - [   0.0158960300000000,  0.0001477300000000,  0.0208152600000000 ]  - [   0.0158939000000000,  0.0000000000000000,  0.0208751500000000 ]  - [   0.0158951000000000,  0.0000480500000000,  0.0208168800000000 ]  - [   0.0157790400000000,  0.0000000000000000,  0.0210001000000000 ]  - [   0.0158951000000000, -0.0000480500000000,  0.0208168800000000 ]  - [  -0.0153086300000000,  0.0000911400000000, -0.0215500900000000 ]  - [  -0.0157954700000000, -0.0000173200000000, -0.0209777800000000 ]  - [  -0.0157954700000000,  0.0000173200000000, -0.0209777800000000 ]  - [  -0.0153086300000000, -0.0000911400000000, -0.0215500900000000 ]  - [  -0.0157088300000000,  0.0000720600000000, -0.0210730100000000 ]  - [  -0.0158103400000000, -0.0000025300000000, -0.0210406200000000 ]  - [  -0.0158103400000000,  0.0000025300000000, -0.0210406200000000 ]  - [  -0.0157088300000000, -0.0000720600000000, -0.0210730100000000 ]  - [  -0.0103224200000000, -0.0045761100000000, -0.0198266300000000 ]  - [  -0.0157680700000000,  0.0000944700000000, -0.0211146500000000 ]  - [  -0.0157680700000000, -0.0000944700000000, -0.0211146500000000 ]  - [  -0.0103224200000000,  0.0045761100000000, -0.0198266300000000 ]  - [   0.0158625000000000,  0.0000262000000000,  0.0210852100000000 ]  - [   0.0158287500000000,  0.0000090200000000,  0.0210357700000000 ]  - [   0.0158287500000000, -0.0000090200000000,  0.0210357700000000 ]  - [   0.0158625000000000, -0.0000262000000000,  0.0210852100000000 ]  - [   0.0158350700000000,  0.0000273900000000,  0.0210325900000000 ]  - [   0.0157918600000000,  0.0003713800000000,  0.0213316300000000 ]  - [   0.0157918600000000, -0.0003713800000000,  0.0213316300000000 ]  - [   0.0158350700000000, -0.0000273900000000,  0.0210325900000000 ]  - [   0.0158320500000000,  0.0000488400000000,  0.0209017700000000 ]  - [   0.0157826600000000, -0.0000682900000000,  0.0210360600000000 ]  - [   0.0157826600000000,  0.0000682900000000,  0.0210360600000000 ]  - [   0.0158320500000000, -0.0000488400000000,  0.0209017700000000 ]  - [  -0.0154150300000000,  0.0000000000000000, -0.0214681000000000 ]  - [  -0.0157482200000000, -0.0000135400000000, -0.0210022300000000 ]  - [  -0.0157541700000000,  0.0000000000000000, -0.0209944200000000 ]  - [  -0.0157482200000000,  0.0000135400000000, -0.0210022300000000 ]  - [  -0.0157315200000000,  0.0000000000000000, -0.0210215700000000 ]  - [  -0.0157714000000000,  0.0000157200000000, -0.0210538000000000 ]  - [  -0.0157627800000000,  0.0000000000000000, -0.0210152400000000 ]  - [  -0.0157714000000000, -0.0000157200000000, -0.0210538000000000 ]  - [  -0.0131962200000000,  0.0000000000000000, -0.0217097400000000 ]  - [  -0.0157103000000000, -0.0001390700000000, -0.0209125000000000 ]  - [  -0.0157861000000000,  0.0000000000000000, -0.0209965300000000 ]  - [  -0.0157103000000000,  0.0001390700000000, -0.0209125000000000 ]  - [   0.0328435700000000,  0.0000000000000000,  0.0094144600000000 ]  - [   0.0113181500000000,  0.0001849800000000,  0.0172749200000000 ]  - [   0.0110722200000000,  0.0000000000000000,  0.0170930000000000 ]  - [   0.0113181500000000, -0.0001849800000000,  0.0172749200000000 ]  - [   0.0111928900000000,  0.0000000000000000,  0.0171599100000000 ]  - [   0.0110989900000000,  0.0000677700000000,  0.0171654500000000 ]  - [   0.0111155500000000,  0.0000000000000000,  0.0170949500000000 ]  - [   0.0110989900000000, -0.0000677700000000,  0.0171654500000000 ]  - [   0.0109761900000000,  0.0000000000000000,  0.0174880000000000 ]  - [   0.0107096400000000, -0.0002458800000000,  0.0176740000000000 ]  - [   0.0111725700000000,  0.0000000000000000,  0.0171589200000000 ]  - [   0.0107096400000000,  0.0002458800000000,  0.0176740000000000 ]  - [  -0.0130895000000000, -0.0015501900000000, -0.0170410200000000 ]  - [  -0.0111563800000000,  0.0000508900000000, -0.0171143100000000 ]  - [  -0.0111563800000000, -0.0000508900000000, -0.0171143100000000 ]  - [  -0.0130895000000000,  0.0015501900000000, -0.0170410200000000 ]  - [  -0.0111013900000000,  0.0000095700000000, -0.0170462500000000 ]  - [  -0.0110589100000000, -0.0000277600000000, -0.0170767600000000 ]  - [  -0.0110589100000000,  0.0000277600000000, -0.0170767600000000 ]  - [  -0.0111013900000000, -0.0000095700000000, -0.0170462500000000 ]  - [  -0.0041520500000000, -0.0041004100000000, -0.0148441500000000 ]  - [  -0.0108777400000000, -0.0007410300000000, -0.0169758400000000 ]  - [  -0.0108777400000000,  0.0007410300000000, -0.0169758400000000 ]  - [  -0.0041520500000000,  0.0041004100000000, -0.0148441500000000 ]  - [   0.0108651700000000, -0.0003505000000000,  0.0169216800000000 ]  - [   0.0111269100000000,  0.0000682900000000,  0.0170143400000000 ]  - [   0.0111269100000000, -0.0000682900000000,  0.0170143400000000 ]  - [   0.0108651700000000,  0.0003505000000000,  0.0169216800000000 ]  - [   0.0110769900000000,  0.0000762600000000,  0.0171051800000000 ]  - [   0.0111197400000000, -0.0000335200000000,  0.0171230400000000 ]  - [   0.0111197400000000,  0.0000335200000000,  0.0171230400000000 ]  - [   0.0110769900000000, -0.0000762600000000,  0.0171051800000000 ]  - [   0.0110176700000000,  0.0000296400000000,  0.0172012400000000 ]  - [   0.0110566100000000,  0.0000608100000000,  0.0170715200000000 ]  - [   0.0110566100000000, -0.0000608100000000,  0.0170715200000000 ]  - [   0.0110176700000000, -0.0000296400000000,  0.0172012400000000 ]  - [  -0.0109185600000000,  0.0000000000000000, -0.0168497500000000 ]  - [  -0.0108723200000000, -0.0003237600000000, -0.0171974500000000 ]  - [  -0.0110567300000000,  0.0000000000000000, -0.0170454800000000 ]  - [  -0.0108723200000000,  0.0003237600000000, -0.0171974500000000 ]  - [  -0.0111092500000000,  0.0000000000000000, -0.0170334100000000 ]  - [  -0.0110959400000000,  0.0000001300000000, -0.0170433100000000 ]  - [  -0.0111124300000000,  0.0000000000000000, -0.0170808900000000 ]  - [  -0.0110959400000000, -0.0000001300000000, -0.0170433100000000 ]  - [  -0.0114737500000000,  0.0000000000000000, -0.0167100700000000 ]  - [  -0.0111456100000000,  0.0000741100000000, -0.0170868200000000 ]  - [  -0.0111021000000000,  0.0000000000000000, -0.0170862300000000 ]  - [  -0.0111456100000000, -0.0000741100000000, -0.0170868200000000 ]  - [   0.0088084200000000, -0.0015269800000000, -0.0008604500000000 ]  - [   0.0085090000000000, -0.0000501900000000,  0.0011064800000000 ]  - [   0.0085090000000000,  0.0000501900000000,  0.0011064800000000 ]  - [   0.0088084200000000,  0.0015269800000000, -0.0008604500000000 ]  - [   0.0084229700000000,  0.0000104500000000,  0.0012761600000000 ]  - [   0.0084315100000000,  0.0000205100000000,  0.0012488800000000 ]  - [   0.0084315100000000, -0.0000205100000000,  0.0012488800000000 ]  - [   0.0084229700000000, -0.0000104500000000,  0.0012761600000000 ]  - [   0.0081740000000000,  0.0002922400000000,  0.0008853700000000 ]  - [   0.0085825700000000, -0.0000092500000000,  0.0012316800000000 ]  - [   0.0085825700000000,  0.0000092500000000,  0.0012316800000000 ]  - [   0.0081740000000000, -0.0002922400000000,  0.0008853700000000 ]  - [  -0.0042229800000000,  0.0000000000000000, -0.0029161700000000 ]  - [  -0.0083479100000000,  0.0003726800000000, -0.0014688100000000 ]  - [  -0.0084378700000000,  0.0000000000000000, -0.0012518800000000 ]  - [  -0.0083479100000000, -0.0003726800000000, -0.0014688100000000 ]  - [  -0.0085101700000000,  0.0000000000000000, -0.0011131400000000 ]  - [  -0.0084937100000000,  0.0000221200000000, -0.0011591400000000 ]  - [  -0.0085017500000000,  0.0000000000000000, -0.0011905900000000 ]  - [  -0.0084937100000000, -0.0000221200000000, -0.0011591400000000 ]  - [  -0.0080192600000000,  0.0000000000000000,  0.0008825800000000 ]  - [  -0.0106631200000000, -0.0011065000000000, -0.0001842200000000 ]  - [  -0.0085720200000000,  0.0000000000000000, -0.0013548800000000 ]  - [  -0.0106631200000000,  0.0011065000000000, -0.0001842200000000 ]  - [   0.0086933600000000,  0.0000000000000000,  0.0004997700000000 ]  - [   0.0082894800000000,  0.0001251100000000,  0.0013409900000000 ]  - [   0.0084083800000000,  0.0000000000000000,  0.0012216200000000 ]  - [   0.0082894800000000, -0.0001251100000000,  0.0013409900000000 ]  - [   0.0084654200000000,  0.0000000000000000,  0.0012473100000000 ]  - [   0.0084519800000000,  0.0000135100000000,  0.0011785700000000 ]  - [   0.0084820300000000,  0.0000000000000000,  0.0011353100000000 ]  - [   0.0084519800000000, -0.0000135100000000,  0.0011785700000000 ]  - [   0.0086770500000000,  0.0000000000000000,  0.0011778400000000 ]  - [   0.0085466100000000, -0.0000125400000000,  0.0010935500000000 ]  - [   0.0084701200000000,  0.0000000000000000,  0.0012032100000000 ]  - [   0.0085466100000000,  0.0000125400000000,  0.0010935500000000 ]  - [  -0.0084617400000000,  0.0008592200000000, -0.0007998500000000 ]  - [  -0.0084565300000000,  0.0000265300000000, -0.0011629700000000 ]  - [  -0.0084565300000000, -0.0000265300000000, -0.0011629700000000 ]  - [  -0.0084617400000000, -0.0008592200000000, -0.0007998500000000 ]  - [  -0.0084328900000000, -0.0000208400000000, -0.0011753700000000 ]  - [  -0.0084536800000000,  0.0000175000000000, -0.0012294700000000 ]  - [  -0.0084536800000000, -0.0000175000000000, -0.0012294700000000 ]  - [  -0.0084328900000000,  0.0000208400000000, -0.0011753700000000 ]  - [  -0.0084590500000000, -0.0000128800000000, -0.0013104300000000 ]  - [  -0.0084346000000000, -0.0000511700000000, -0.0011954800000000 ]  - [  -0.0084346000000000,  0.0000511700000000, -0.0011954800000000 ]  - [  -0.0084590500000000,  0.0000128800000000, -0.0013104300000000 ]- atom:    1  displacement:    [  -0.0099948830452462,  0.0000000000000000,  0.0003198638958201 ]  forces:  - [   0.0652762800000000,  0.0000000000000000,  0.0173059700000000 ]  - [   0.0160087300000000, -0.0006301300000000,  0.0208640600000000 ]  - [   0.0158777200000000,  0.0000000000000000,  0.0211852600000000 ]  - [   0.0160087300000000,  0.0006301300000000,  0.0208640600000000 ]  - [   0.0156476400000000,  0.0000000000000000,  0.0208217200000000 ]  - [   0.0156560300000000,  0.0001436100000000,  0.0212032700000000 ]  - [   0.0157740100000000,  0.0000000000000000,  0.0211015000000000 ]  - [   0.0156560300000000, -0.0001436100000000,  0.0212032700000000 ]  - [   0.0156570000000000,  0.0000000000000000,  0.0211470500000000 ]  - [   0.0156554200000000, -0.0000490200000000,  0.0212063600000000 ]  - [   0.0157723800000000,  0.0000000000000000,  0.0210201800000000 ]  - [   0.0156554200000000,  0.0000490200000000,  0.0212063600000000 ]  - [  -0.0162410300000000, -0.0000894400000000, -0.0204664500000000 ]  - [  -0.0157554800000000,  0.0000196900000000, -0.0210388800000000 ]  - [  -0.0157554800000000, -0.0000196900000000, -0.0210388800000000 ]  - [  -0.0162410300000000,  0.0000894400000000, -0.0204664500000000 ]  - [  -0.0158418700000000, -0.0000725900000000, -0.0209454000000000 ]  - [  -0.0157401400000000,  0.0000056900000000, -0.0209820600000000 ]  - [  -0.0157401400000000, -0.0000056900000000, -0.0209820600000000 ]  - [  -0.0158418700000000,  0.0000725900000000, -0.0209454000000000 ]  - [  -0.0213467700000000,  0.0046680500000000, -0.0221974800000000 ]  - [  -0.0157848400000000, -0.0000986200000000, -0.0209008200000000 ]  - [  -0.0157848400000000,  0.0000986200000000, -0.0209008200000000 ]  - [  -0.0213467700000000, -0.0046680500000000, -0.0221974800000000 ]  - [   0.0156895800000000, -0.0000270200000000,  0.0209333700000000 ]  - [   0.0157249100000000, -0.0000086000000000,  0.0209824600000000 ]  - [   0.0157249100000000,  0.0000086000000000,  0.0209824600000000 ]  - [   0.0156895800000000,  0.0000270200000000,  0.0209333700000000 ]  - [   0.0157155000000000, -0.0000267100000000,  0.0209869700000000 ]  - [   0.0157592700000000, -0.0003656800000000,  0.0206951200000000 ]  - [   0.0157592700000000,  0.0003656800000000,  0.0206951200000000 ]  - [   0.0157155000000000,  0.0000267100000000,  0.0209869700000000 ]  - [   0.0157197000000000, -0.0000480700000000,  0.0211160900000000 ]  - [   0.0157694500000000,  0.0000686900000000,  0.0209826300000000 ]  - [   0.0157694500000000, -0.0000686900000000,  0.0209826300000000 ]  - [   0.0157197000000000,  0.0000480700000000,  0.0211160900000000 ]  - [  -0.0161354100000000,  0.0000000000000000, -0.0205565300000000 ]  - [  -0.0158048300000000,  0.0000140100000000, -0.0210183800000000 ]  - [  -0.0157984500000000,  0.0000000000000000, -0.0210259600000000 ]  - [  -0.0158048300000000, -0.0000140100000000, -0.0210183800000000 ]  - [  -0.0158200600000000,  0.0000000000000000, -0.0209990300000000 ]  - [  -0.0157800600000000, -0.0000156700000000, -0.0209679200000000 ]  - [  -0.0157871900000000,  0.0000000000000000, -0.0210078400000000 ]  - [  -0.0157800600000000,  0.0000156700000000, -0.0209679200000000 ]  - [  -0.0182623800000000,  0.0000000000000000, -0.0203335200000000 ]  - [  -0.0158421500000000,  0.0001371900000000, -0.0211107000000000 ]  - [  -0.0157667000000000,  0.0000000000000000, -0.0210285400000000 ]  - [  -0.0158421500000000, -0.0001371900000000, -0.0211107000000000 ]  - [  -0.0119118900000000,  0.0000000000000000,  0.0253018200000000 ]  - [   0.0108840000000000, -0.0001815200000000,  0.0168984300000000 ]  - [   0.0111333800000000,  0.0000000000000000,  0.0170793800000000 ]  - [   0.0108840000000000,  0.0001815200000000,  0.0168984300000000 ]  - [   0.0110114600000000,  0.0000000000000000,  0.0170133000000000 ]  - [   0.0111043500000000, -0.0000683400000000,  0.0170081900000000 ]  - [   0.0110897300000000,  0.0000000000000000,  0.0170813200000000 ]  - [   0.0111043500000000,  0.0000683400000000,  0.0170081900000000 ]  - [   0.0112374000000000,  0.0000000000000000,  0.0166842100000000 ]  - [   0.0114934300000000,  0.0002504000000000,  0.0164915100000000 ]  - [   0.0110321800000000,  0.0000000000000000,  0.0170142300000000 ]  - [   0.0114934300000000, -0.0002504000000000,  0.0164915100000000 ]  - [  -0.0091162300000000,  0.0015490300000000, -0.0171416600000000 ]  - [  -0.0110493000000000, -0.0000522100000000, -0.0170623000000000 ]  - [  -0.0110493000000000,  0.0000522100000000, -0.0170623000000000 ]  - [  -0.0091162300000000, -0.0015490300000000, -0.0171416600000000 ]  - [  -0.0111045900000000, -0.0000094700000000, -0.0171315000000000 ]  - [  -0.0111472200000000,  0.0000277500000000, -0.0171024600000000 ]  - [  -0.0111472200000000, -0.0000277500000000, -0.0171024600000000 ]  - [  -0.0111045900000000,  0.0000094700000000, -0.0171315000000000 ]  - [  -0.0180974800000000,  0.0041311900000000, -0.0193246900000000 ]  - [  -0.0113312700000000,  0.0007248300000000, -0.0172002700000000 ]  - [  -0.0113312700000000, -0.0007248300000000, -0.0172002700000000 ]  - [  -0.0180974800000000, -0.0041311900000000, -0.0193246900000000 ]  - [   0.0113430800000000,  0.0003441300000000,  0.0172523800000000 ]  - [   0.0110793400000000, -0.0000662400000000,  0.0171614900000000 ]  - [   0.0110793400000000,  0.0000662400000000,  0.0171614900000000 ]  - [   0.0113430800000000, -0.0003441300000000,  0.0172523800000000 ]  - [   0.0111285000000000, -0.0000768300000000,  0.0170729600000000 ]  - [   0.0110868600000000,  0.0000334500000000,  0.0170547900000000 ]  - [   0.0110868600000000, -0.0000334500000000,  0.0170547900000000 ]  - [   0.0111285000000000,  0.0000768300000000,  0.0170729600000000 ]  - [   0.0111863400000000, -0.0000295600000000,  0.0169773500000000 ]  - [   0.0111483700000000, -0.0000611500000000,  0.0171073900000000 ]  - [   0.0111483700000000,  0.0000611500000000,  0.0171073900000000 ]  - [   0.0111863400000000,  0.0000295600000000,  0.0169773500000000 ]  - [  -0.0112825100000000,  0.0000000000000000, -0.0173222100000000 ]  - [  -0.0113287900000000,  0.0003224100000000, -0.0169752600000000 ]  - [  -0.0111475600000000,  0.0000000000000000, -0.0171269500000000 ]  - [  -0.0113287900000000, -0.0003224100000000, -0.0169752600000000 ]  - [  -0.0110956900000000,  0.0000000000000000, -0.0171404700000000 ]  - [  -0.0111098000000000, -0.0000012800000000, -0.0171314100000000 ]  - [  -0.0110922000000000,  0.0000000000000000, -0.0170967000000000 ]  - [  -0.0111098000000000,  0.0000012800000000, -0.0171314100000000 ]  - [  -0.0107400900000000,  0.0000000000000000, -0.0174508100000000 ]  - [  -0.0110600600000000, -0.0000735400000000, -0.0170859800000000 ]  - [  -0.0111035300000000,  0.0000000000000000, -0.0170894600000000 ]  - [  -0.0110600600000000,  0.0000735400000000, -0.0170859800000000 ]  - [   0.0081565000000000,  0.0015635900000000,  0.0032850500000000 ]  - [   0.0084103800000000,  0.0000510500000000,  0.0013016400000000 ]  - [   0.0084103800000000, -0.0000510500000000,  0.0013016400000000 ]  - [   0.0081565000000000, -0.0015635900000000,  0.0032850500000000 ]  - [   0.0084948000000000, -0.0000103300000000,  0.0011311600000000 ]  - [   0.0084866300000000, -0.0000201700000000,  0.0011578200000000 ]  - [   0.0084866300000000,  0.0000201700000000,  0.0011578200000000 ]  - [   0.0084948000000000,  0.0000103300000000,  0.0011311600000000 ]  - [   0.0087287500000000, -0.0003028700000000,  0.0015376200000000 ]  - [   0.0083367900000000,  0.0000088000000000,  0.0011736700000000 ]  - [   0.0083367900000000, -0.0000088000000000,  0.0011736700000000 ]  - [   0.0087287500000000,  0.0003028700000000,  0.0015376200000000 ]  - [  -0.0127660600000000,  0.0000000000000000,  0.0006112200000000 ]  - [  -0.0085768100000000, -0.0003693500000000, -0.0009363600000000 ]  - [  -0.0084824300000000,  0.0000000000000000, -0.0011524300000000 ]  - [  -0.0085768100000000,  0.0003693500000000, -0.0009363600000000 ]  - [  -0.0084089500000000,  0.0000000000000000, -0.0012897800000000 ]  - [  -0.0084254000000000, -0.0000215100000000, -0.0012441600000000 ]  - [  -0.0084176600000000,  0.0000000000000000, -0.0012135100000000 ]  - [  -0.0084254000000000,  0.0000215100000000, -0.0012441600000000 ]  - [  -0.0088909000000000,  0.0000000000000000, -0.0032804300000000 ]  - [  -0.0062140700000000,  0.0010990800000000, -0.0022168200000000 ]  - [  -0.0083461800000000,  0.0000000000000000, -0.0010534700000000 ]  - [  -0.0062140700000000, -0.0010990800000000, -0.0022168200000000 ]  - [   0.0082231600000000,  0.0000000000000000,  0.0018981400000000 ]  - [   0.0086262700000000, -0.0001260300000000,  0.0010639800000000 ]  - [   0.0085092300000000,  0.0000000000000000,  0.0011818100000000 ]  - [   0.0086262700000000,  0.0001260300000000,  0.0010639800000000 ]  - [   0.0084541400000000,  0.0000000000000000,  0.0011565400000000 ]  - [   0.0084674500000000, -0.0000133700000000,  0.0012248600000000 ]  - [   0.0084369700000000,  0.0000000000000000,  0.0012682900000000 ]  - [   0.0084674500000000,  0.0000133700000000,  0.0012248600000000 ]  - [   0.0082457600000000,  0.0000000000000000,  0.0012241300000000 ]  - [   0.0083695000000000,  0.0000110900000000,  0.0013122200000000 ]  - [   0.0084483100000000,  0.0000000000000000,  0.0012010300000000 ]  - [   0.0083695000000000, -0.0000110900000000,  0.0013122200000000 ]  - [  -0.0084639400000000, -0.0008579800000000, -0.0016118900000000 ]  - [  -0.0084597800000000, -0.0000278700000000, -0.0012419600000000 ]  - [  -0.0084597800000000,  0.0000278700000000, -0.0012419600000000 ]  - [  -0.0084639400000000,  0.0008579800000000, -0.0016118900000000 ]  - [  -0.0084849300000000,  0.0000211900000000, -0.0012307300000000 ]  - [  -0.0084642800000000, -0.0000174000000000, -0.0011770600000000 ]  - [  -0.0084642800000000,  0.0000174000000000, -0.0011770600000000 ]  - [  -0.0084849300000000, -0.0000211900000000, -0.0012307300000000 ]  - [  -0.0084605700000000,  0.0000127700000000, -0.0010948600000000 ]  - [  -0.0084837100000000,  0.0000505200000000, -0.0012100700000000 ]  - [  -0.0084837100000000, -0.0000505200000000, -0.0012100700000000 ]  - [  -0.0084605700000000, -0.0000127700000000, -0.0010948600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0160473100000000, -0.0427658100000000,  0.0215737600000000 ]  - [   0.0151484400000000,  0.0028784800000000,  0.0209720400000000 ]  - [   0.0157763400000000,  0.0003508900000000,  0.0210097800000000 ]  - [   0.0164009100000000,  0.0028038400000000,  0.0210599800000000 ]  - [   0.0157762900000000, -0.0000214800000000,  0.0210115700000000 ]  - [   0.0157318100000000,  0.0001313300000000,  0.0211394800000000 ]  - [   0.0157753300000000,  0.0000035900000000,  0.0210119400000000 ]  - [   0.0158216900000000,  0.0001311600000000,  0.0208826700000000 ]  - [   0.0157747300000000, -0.0000211600000000,  0.0210127600000000 ]  - [   0.0159097500000000,  0.0001322000000000,  0.0206617500000000 ]  - [   0.0157757300000000,  0.0000027500000000,  0.0210100400000000 ]  - [   0.0156415100000000,  0.0001308000000000,  0.0213594800000000 ]  - [  -0.0156884200000000,  0.0000273300000000, -0.0211192400000000 ]  - [  -0.0157933500000000,  0.0000265100000000, -0.0209732500000000 ]  - [  -0.0157579700000000,  0.0000247900000000, -0.0210420900000000 ]  - [  -0.0158626500000000,  0.0000267400000000, -0.0208987800000000 ]  - [  -0.0157021200000000,  0.0001084600000000, -0.0209702300000000 ]  - [  -0.0157861400000000,  0.0007037600000000, -0.0212728000000000 ]  - [  -0.0157613300000000,  0.0007031700000000, -0.0207464800000000 ]  - [  -0.0158486000000000,  0.0001105800000000, -0.0210452700000000 ]  - [  -0.0203989700000000,  0.0026147600000000, -0.0204958900000000 ]  - [  -0.0156806400000000,  0.0000050500000000, -0.0210042100000000 ]  - [  -0.0158729300000000,  0.0000057500000000, -0.0210152200000000 ]  - [  -0.0111842100000000,  0.0025989600000000, -0.0215365600000000 ]  - [   0.0157487000000000, -0.0000395300000000,  0.0209621700000000 ]  - [   0.0157675600000000,  0.0000453500000000,  0.0209822700000000 ]  - [   0.0157860900000000,  0.0000452700000000,  0.0210349000000000 ]  - [   0.0158045400000000, -0.0000385900000000,  0.0210554900000000 ]  - [   0.0157196500000000, -0.0000836100000000,  0.0207981000000000 ]  - [   0.0158541100000000,  0.0005504400000000,  0.0213254400000000 ]  - [   0.0156967900000000,  0.0005479800000000,  0.0207008600000000 ]  - [   0.0158311100000000, -0.0000870400000000,  0.0212224200000000 ]  - [   0.0157432200000000, -0.0000841000000000,  0.0208396800000000 ]  - [   0.0153888300000000,  0.0005490700000000,  0.0204406200000000 ]  - [   0.0161614500000000,  0.0005484600000000,  0.0215776200000000 ]  - [   0.0158090500000000, -0.0000856300000000,  0.0211795600000000 ]  - [  -0.0157752200000000, -0.0000521600000000, -0.0210118100000000 ]  - [  -0.0157873700000000,  0.0000638700000000, -0.0209236800000000 ]  - [  -0.0157760100000000,  0.0000436100000000, -0.0210090200000000 ]  - [  -0.0157655800000000,  0.0000628300000000, -0.0210952900000000 ]  - [  -0.0157756200000000, -0.0001179100000000, -0.0210104300000000 ]  - [  -0.0157585400000000, -0.0000201400000000, -0.0209610100000000 ]  - [  -0.0157747600000000,  0.0002129600000000, -0.0210111100000000 ]  - [  -0.0157924100000000, -0.0000198200000000, -0.0210593200000000 ]  - [  -0.0157781600000000, -0.0001247600000000, -0.0210105000000000 ]  - [  -0.0159091400000000,  0.0000230100000000, -0.0208348300000000 ]  - [  -0.0157767800000000,  0.0000721000000000, -0.0210125800000000 ]  - [  -0.0156439800000000,  0.0000243700000000, -0.0211884600000000 ]  - [   0.0111208000000000,  0.0060742000000000,  0.0170643600000000 ]  - [   0.0113865800000000, -0.0001411800000000,  0.0168501000000000 ]  - [   0.0111023900000000, -0.0000648000000000,  0.0170869800000000 ]  - [   0.0108198600000000, -0.0001439600000000,  0.0173222700000000 ]  - [   0.0111025900000000, -0.0000182600000000,  0.0170866400000000 ]  - [   0.0110930500000000,  0.0000120500000000,  0.0171196000000000 ]  - [   0.0111030400000000, -0.0000279800000000,  0.0170875100000000 ]  - [   0.0111123100000000,  0.0000117400000000,  0.0170539200000000 ]  - [   0.0111041200000000, -0.0004218000000000,  0.0170784400000000 ]  - [   0.0132922400000000, -0.0015461900000000,  0.0177383900000000 ]  - [   0.0111037800000000,  0.0000374700000000,  0.0170851900000000 ]  - [   0.0089040700000000, -0.0015431200000000,  0.0164467600000000 ]  - [  -0.0106067500000000, -0.0004295300000000, -0.0178046900000000 ]  - [  -0.0110909700000000, -0.0000264900000000, -0.0171269600000000 ]  - [  -0.0111149800000000, -0.0000270100000000, -0.0170493500000000 ]  - [  -0.0116111800000000, -0.0004188400000000, -0.0163716600000000 ]  - [  -0.0111272000000000,  0.0000300100000000, -0.0170951100000000 ]  - [  -0.0111934700000000, -0.0000371000000000, -0.0170390500000000 ]  - [  -0.0110124400000000, -0.0000375900000000, -0.0171405200000000 ]  - [  -0.0110780100000000,  0.0000299500000000, -0.0170836900000000 ]  - [  -0.0139714000000000,  0.0099821900000000, -0.0239707200000000 ]  - [  -0.0100540700000000,  0.0025663900000000, -0.0149958800000000 ]  - [  -0.0121453600000000,  0.0025842300000000, -0.0191735500000000 ]  - [  -0.0085362000000000,  0.0093582900000000, -0.0107121000000000 ]  - [   0.0111120200000000, -0.0000940600000000,  0.0169243800000000 ]  - [   0.0111472700000000,  0.0000291500000000,  0.0170300600000000 ]  - [   0.0110585800000000,  0.0000284400000000,  0.0171470200000000 ]  - [   0.0110981700000000, -0.0000948400000000,  0.0172527400000000 ]  - [   0.0111083900000000,  0.0000468000000000,  0.0171216000000000 ]  - [   0.0110859700000000, -0.0001655900000000,  0.0170221400000000 ]  - [   0.0111207300000000, -0.0001656100000000,  0.0171572100000000 ]  - [   0.0110972900000000,  0.0000463400000000,  0.0170571300000000 ]  - [   0.0111108000000000,  0.0000347500000000,  0.0171827300000000 ]  - [   0.0112530400000000, -0.0000611200000000,  0.0171188100000000 ]  - [   0.0109522700000000, -0.0000611500000000,  0.0170605100000000 ]  - [   0.0110940000000000,  0.0000348100000000,  0.0169961900000000 ]  - [  -0.0110964900000000, -0.0001327200000000, -0.0170817600000000 ]  - [  -0.0107899700000000, -0.0000962600000000, -0.0171335700000000 ]  - [  -0.0111026000000000, -0.0002841100000000, -0.0170861700000000 ]  - [  -0.0114102600000000, -0.0000973600000000, -0.0170403600000000 ]  - [  -0.0111022600000000,  0.0001120800000000, -0.0170876200000000 ]  - [  -0.0110897900000000,  0.0001531300000000, -0.0171246900000000 ]  - [  -0.0111025600000000, -0.0006893300000000, -0.0170903500000000 ]  - [  -0.0111149500000000,  0.0001522800000000, -0.0170496200000000 ]  - [  -0.0111027500000000,  0.0000099100000000, -0.0170870900000000 ]  - [  -0.0111550300000000, -0.0000535400000000, -0.0172401600000000 ]  - [  -0.0111020800000000,  0.0000482200000000, -0.0170877800000000 ]  - [  -0.0110509500000000, -0.0000538300000000, -0.0169344200000000 ]  - [   0.0080874200000000,  0.0002543400000000,  0.0015829900000000 ]  - [   0.0084842200000000, -0.0000360400000000,  0.0011818100000000 ]  - [   0.0084336600000000, -0.0000356300000000,  0.0012245100000000 ]  - [   0.0088272700000000,  0.0002649900000000,  0.0008133700000000 ]  - [   0.0084654600000000,  0.0000229000000000,  0.0012497700000000 ]  - [   0.0084608600000000, -0.0000293100000000,  0.0012475800000000 ]  - [   0.0084571700000000, -0.0000293700000000,  0.0011590900000000 ]  - [   0.0084522100000000,  0.0000227500000000,  0.0011567300000000 ]  - [   0.0093214000000000,  0.0013429500000000, -0.0005757300000000 ]  - [   0.0078504800000000, -0.0005308100000000,  0.0011752200000000 ]  - [   0.0090675800000000, -0.0005336800000000,  0.0012299500000000 ]  - [   0.0076205600000000,  0.0013627800000000,  0.0029773200000000 ]  - [  -0.0084463300000000, -0.0028137700000000, -0.0011997000000000 ]  - [  -0.0084724000000000,  0.0000790300000000, -0.0012584700000000 ]  - [  -0.0084593400000000, -0.0000031700000000, -0.0012020300000000 ]  - [  -0.0084460700000000,  0.0000778100000000, -0.0011470000000000 ]  - [  -0.0084593300000000,  0.0000110500000000, -0.0012021300000000 ]  - [  -0.0084650300000000,  0.0000080700000000, -0.0011550000000000 ]  - [  -0.0084596600000000, -0.0000321500000000, -0.0012023700000000 ]  - [  -0.0084538200000000,  0.0000075700000000, -0.0012493600000000 ]  - [  -0.0084437700000000, -0.0011536800000000, -0.0011718900000000 ]  - [  -0.0121777800000000,  0.0023093000000000, -0.0058652200000000 ]  - [  -0.0084602200000000, -0.0023267500000000, -0.0012038600000000 ]  - [  -0.0047691200000000,  0.0022708800000000,  0.0033705000000000 ]  - [   0.0084601100000000,  0.0000706200000000,  0.0012002300000000 ]  - [   0.0082668800000000, -0.0000499000000000,  0.0013252700000000 ]  - [   0.0084590200000000, -0.0000813700000000,  0.0012019800000000 ]  - [   0.0086493600000000, -0.0000491500000000,  0.0010798800000000 ]  - [   0.0084594400000000,  0.0000210800000000,  0.0012016700000000 ]  - [   0.0084973500000000, -0.0000023400000000,  0.0012732500000000 ]  - [   0.0084599100000000,  0.0000986600000000,  0.0012019500000000 ]  - [   0.0084213600000000, -0.0000024600000000,  0.0011302500000000 ]  - [   0.0084586600000000,  0.0001301400000000,  0.0012017200000000 ]  - [   0.0089456400000000,  0.0000502300000000,  0.0011643000000000 ]  - [   0.0084595200000000, -0.0001843600000000,  0.0012017500000000 ]  - [   0.0079747900000000,  0.0000487500000000,  0.0012375000000000 ]  - [  -0.0079001400000000,  0.0011002700000000, -0.0000572500000000 ]  - [  -0.0084981600000000, -0.0000317200000000, -0.0012518400000000 ]  - [  -0.0084185400000000, -0.0000305100000000, -0.0011541400000000 ]  - [  -0.0090019900000000,  0.0010910600000000, -0.0023256400000000 ]  - [  -0.0084386000000000, -0.0000491500000000, -0.0011407300000000 ]  - [  -0.0084160800000000,  0.0000694300000000, -0.0011238800000000 ]  - [  -0.0085019700000000,  0.0000698400000000, -0.0012831800000000 ]  - [  -0.0084791100000000, -0.0000492500000000, -0.0012660700000000 ]  - [  -0.0084281300000000,  0.0001374000000000, -0.0012984200000000 ]  - [  -0.0084753000000000, -0.0001008800000000, -0.0012788800000000 ]  - [  -0.0084417700000000, -0.0001007500000000, -0.0011277400000000 ]  - [  -0.0084894300000000,  0.0001367400000000, -0.0011081600000000 ]- atom:    1  displacement:    [  -0.0046282778705144,  0.0000000000000000,  0.0088644821593428 ]  forces:  - [   0.0406943000000000,  0.0000000000000000, -0.0212843400000000 ]  - [   0.0159882300000000, -0.0002614600000000,  0.0201524100000000 ]  - [   0.0156345900000000,  0.0000000000000000,  0.0200678800000000 ]  - [   0.0159882300000000,  0.0002614600000000,  0.0201524100000000 ]  - [   0.0155960500000000,  0.0000000000000000,  0.0208759200000000 ]  - [   0.0155630900000000,  0.0003724000000000,  0.0215094600000000 ]  - [   0.0157715400000000,  0.0000000000000000,  0.0212377600000000 ]  - [   0.0155630900000000, -0.0003724000000000,  0.0215094600000000 ]  - [   0.0158801600000000,  0.0000000000000000,  0.0210274200000000 ]  - [   0.0155645200000000, -0.0001332700000000,  0.0215057900000000 ]  - [   0.0157007200000000,  0.0000000000000000,  0.0211986600000000 ]  - [   0.0155645200000000,  0.0001332700000000,  0.0215057900000000 ]  - [  -0.0164470700000000, -0.0001370300000000, -0.0202451400000000 ]  - [  -0.0157390900000000,  0.0000393800000000, -0.0209912900000000 ]  - [  -0.0157390900000000, -0.0000393800000000, -0.0209912900000000 ]  - [  -0.0164470700000000,  0.0001370300000000, -0.0202451400000000 ]  - [  -0.0158563600000000, -0.0000018200000000, -0.0208460300000000 ]  - [  -0.0157723600000000, -0.0002281800000000, -0.0206322100000000 ]  - [  -0.0157723600000000,  0.0002281800000000, -0.0206322100000000 ]  - [  -0.0158563600000000,  0.0000018200000000, -0.0208460300000000 ]  - [  -0.0173247300000000,  0.0025830300000000, -0.0229771200000000 ]  - [  -0.0158754600000000, -0.0000415500000000, -0.0210537600000000 ]  - [  -0.0158754600000000,  0.0000415500000000, -0.0210537600000000 ]  - [  -0.0173247300000000, -0.0025830300000000, -0.0229771200000000 ]  - [   0.0157966100000000,  0.0000279400000000,  0.0208072800000000 ]  - [   0.0157713600000000,  0.0000182700000000,  0.0208704900000000 ]  - [   0.0157713600000000, -0.0000182700000000,  0.0208704900000000 ]  - [   0.0157966100000000, -0.0000279400000000,  0.0208072800000000 ]  - [   0.0156580400000000,  0.0001355100000000,  0.0211216000000000 ]  - [   0.0158070000000000,  0.0003257800000000,  0.0213589900000000 ]  - [   0.0158070000000000, -0.0003257800000000,  0.0213589900000000 ]  - [   0.0156580400000000, -0.0001355100000000,  0.0211216000000000 ]  - [   0.0157722600000000,  0.0001626400000000,  0.0211829500000000 ]  - [   0.0160652500000000, -0.0002390500000000,  0.0214910500000000 ]  - [   0.0160652500000000,  0.0002390500000000,  0.0214910500000000 ]  - [   0.0157722600000000, -0.0001626400000000,  0.0211829500000000 ]  - [  -0.0163213900000000,  0.0000000000000000, -0.0201531300000000 ]  - [  -0.0157771700000000,  0.0000808900000000, -0.0208480000000000 ]  - [  -0.0157704800000000,  0.0000000000000000, -0.0209645800000000 ]  - [  -0.0157771700000000, -0.0000808900000000, -0.0208480000000000 ]  - [  -0.0158026100000000,  0.0000000000000000, -0.0209200000000000 ]  - [  -0.0158130000000000,  0.0000353500000000, -0.0209361800000000 ]  - [  -0.0157827000000000,  0.0000000000000000, -0.0209914200000000 ]  - [  -0.0158130000000000, -0.0000353500000000, -0.0209361800000000 ]  - [  -0.0175331900000000,  0.0000000000000000, -0.0208198200000000 ]  - [  -0.0157293300000000,  0.0002181800000000, -0.0213668900000000 ]  - [  -0.0157652100000000,  0.0000000000000000, -0.0212651100000000 ]  - [  -0.0157293300000000, -0.0002181800000000, -0.0213668900000000 ]  - [  -0.0066255000000000,  0.0000000000000000,  0.0307734600000000 ]  - [   0.0109001500000000, -0.0001278100000000,  0.0170195800000000 ]  - [   0.0110216400000000,  0.0000000000000000,  0.0171631400000000 ]  - [   0.0109001500000000,  0.0001278100000000,  0.0170195800000000 ]  - [   0.0109920200000000,  0.0000000000000000,  0.0169687600000000 ]  - [   0.0111827600000000, -0.0000801800000000,  0.0169019100000000 ]  - [   0.0111367700000000,  0.0000000000000000,  0.0169918700000000 ]  - [   0.0111827600000000,  0.0000801800000000,  0.0169019100000000 ]  - [   0.0114368800000000,  0.0000000000000000,  0.0165698900000000 ]  - [   0.0098379000000000,  0.0013821200000000,  0.0161315000000000 ]  - [   0.0110970300000000,  0.0000000000000000,  0.0170383700000000 ]  - [   0.0098379000000000, -0.0013821200000000,  0.0161315000000000 ]  - [  -0.0081062400000000,  0.0017517600000000, -0.0176178300000000 ]  - [  -0.0110998900000000, -0.0000252400000000, -0.0170508300000000 ]  - [  -0.0110998900000000,  0.0000252400000000, -0.0170508300000000 ]  - [  -0.0081062400000000, -0.0017517600000000, -0.0176178300000000 ]  - [  -0.0110636900000000, -0.0000561400000000, -0.0172191700000000 ]  - [  -0.0110263500000000,  0.0000571200000000, -0.0172234700000000 ]  - [  -0.0110263500000000, -0.0000571200000000, -0.0172234700000000 ]  - [  -0.0110636900000000,  0.0000561400000000, -0.0172191700000000 ]  - [  -0.0119564400000000, -0.0051095600000000, -0.0073295100000000 ]  - [  -0.0115898400000000, -0.0023222300000000, -0.0171766000000000 ]  - [  -0.0115898400000000,  0.0023222300000000, -0.0171766000000000 ]  - [  -0.0119564400000000,  0.0051095600000000, -0.0073295100000000 ]  - [   0.0111875100000000, -0.0000298300000000,  0.0170732700000000 ]  - [   0.0111200000000000,  0.0000049300000000,  0.0171165400000000 ]  - [   0.0111200000000000, -0.0000049300000000,  0.0171165400000000 ]  - [   0.0111875100000000,  0.0000298300000000,  0.0170732700000000 ]  - [   0.0111345500000000, -0.0000770500000000,  0.0170042000000000 ]  - [   0.0111186800000000, -0.0000730400000000,  0.0169074300000000 ]  - [   0.0111186800000000,  0.0000730400000000,  0.0169074300000000 ]  - [   0.0111345500000000,  0.0000770500000000,  0.0170042000000000 ]  - [   0.0111231700000000, -0.0000635600000000,  0.0169800200000000 ]  - [   0.0110136700000000, -0.0000303200000000,  0.0171020300000000 ]  - [   0.0110136700000000,  0.0000303200000000,  0.0171020300000000 ]  - [   0.0111231700000000,  0.0000635600000000,  0.0169800200000000 ]  - [  -0.0116042300000000,  0.0000000000000000, -0.0182743700000000 ]  - [  -0.0109230000000000,  0.0000075200000000, -0.0170567000000000 ]  - [  -0.0110713300000000,  0.0000000000000000, -0.0170271600000000 ]  - [  -0.0109230000000000, -0.0000075200000000, -0.0170567000000000 ]  - [  -0.0110885200000000,  0.0000000000000000, -0.0172785300000000 ]  - [  -0.0111478200000000, -0.0000516800000000, -0.0172891600000000 ]  - [  -0.0109848000000000,  0.0000000000000000, -0.0172972600000000 ]  - [  -0.0111478200000000,  0.0000516800000000, -0.0172891600000000 ]  - [  -0.0108498300000000,  0.0000000000000000, -0.0172795500000000 ]  - [  -0.0110535700000000, -0.0000979600000000, -0.0169316000000000 ]  - [  -0.0111167700000000,  0.0000000000000000, -0.0169889500000000 ]  - [  -0.0110535700000000,  0.0000979600000000, -0.0169316000000000 ]  - [   0.0069722100000000,  0.0016671000000000,  0.0038151100000000 ]  - [   0.0083905900000000, -0.0000579600000000,  0.0013380400000000 ]  - [   0.0083905900000000,  0.0000579600000000,  0.0013380400000000 ]  - [   0.0069722100000000, -0.0016671000000000,  0.0038151100000000 ]  - [   0.0084924100000000, -0.0000307200000000,  0.0010663300000000 ]  - [   0.0084507500000000, -0.0000259100000000,  0.0010810800000000 ]  - [   0.0084507500000000,  0.0000259100000000,  0.0010810800000000 ]  - [   0.0084924100000000,  0.0000307200000000,  0.0010663300000000 ]  - [   0.0077537300000000, -0.0015359800000000,  0.0029451700000000 ]  - [   0.0090369900000000,  0.0001963600000000,  0.0012204000000000 ]  - [   0.0090369900000000, -0.0001963600000000,  0.0012204000000000 ]  - [   0.0077537300000000,  0.0015359800000000,  0.0029451700000000 ]  - [  -0.0149652800000000,  0.0000000000000000, -0.0020310800000000 ]  - [  -0.0084384500000000, -0.0006450500000000, -0.0008652700000000 ]  - [  -0.0084264800000000,  0.0000000000000000, -0.0010705900000000 ]  - [  -0.0084384500000000,  0.0006450500000000, -0.0008652700000000 ]  - [  -0.0083837500000000,  0.0000000000000000, -0.0013594900000000 ]  - [  -0.0084520000000000, -0.0000371100000000, -0.0013524200000000 ]  - [  -0.0083847800000000,  0.0000000000000000, -0.0013078700000000 ]  - [  -0.0084520000000000,  0.0000371100000000, -0.0013524200000000 ]  - [  -0.0069230900000000,  0.0000000000000000,  0.0030078700000000 ]  - [  -0.0048281600000000, -0.0023056500000000, -0.0007035100000000 ]  - [  -0.0086813900000000,  0.0000000000000000, -0.0017918400000000 ]  - [  -0.0048281600000000,  0.0023056500000000, -0.0007035100000000 ]  - [   0.0082574600000000,  0.0000000000000000,  0.0021509500000000 ]  - [   0.0083507500000000, -0.0002597900000000,  0.0012573800000000 ]  - [   0.0084168600000000,  0.0000000000000000,  0.0011801900000000 ]  - [   0.0083507500000000,  0.0002597900000000,  0.0012573800000000 ]  - [   0.0084660600000000,  0.0000000000000000,  0.0010877400000000 ]  - [   0.0085043000000000, -0.0000237700000000,  0.0011137800000000 ]  - [   0.0083925300000000,  0.0000000000000000,  0.0011619800000000 ]  - [   0.0085043000000000,  0.0000237700000000,  0.0011137800000000 ]  - [   0.0084145700000000,  0.0000000000000000,  0.0012994700000000 ]  - [   0.0080702900000000, -0.0000580900000000,  0.0013740500000000 ]  - [   0.0083554100000000,  0.0000000000000000,  0.0012420600000000 ]  - [   0.0080702900000000,  0.0000580900000000,  0.0013740500000000 ]  - [  -0.0079109600000000,  0.0005245200000000, -0.0004765900000000 ]  - [  -0.0083265100000000, -0.0001901300000000, -0.0010361000000000 ]  - [  -0.0083265100000000,  0.0001901300000000, -0.0010361000000000 ]  - [  -0.0079109600000000, -0.0005245200000000, -0.0004765900000000 ]  - [  -0.0084860300000000, -0.0000281200000000, -0.0013016800000000 ]  - [  -0.0085065100000000,  0.0000406100000000, -0.0012628400000000 ]  - [  -0.0085065100000000, -0.0000406100000000, -0.0012628400000000 ]  - [  -0.0084860300000000,  0.0000281200000000, -0.0013016800000000 ]  - [  -0.0084996900000000, -0.0000596900000000, -0.0010122800000000 ]  - [  -0.0084686900000000,  0.0000542600000000, -0.0011148200000000 ]  - [  -0.0084686900000000, -0.0000542600000000, -0.0011148200000000 ]  - [  -0.0084996900000000,  0.0000596900000000, -0.0010122800000000 ]- atom:    1  displacement:    [   0.0046282778705144,  0.0000000000000000, -0.0088644821593428 ]  forces:  - [  -0.0077380100000000,  0.0000000000000000,  0.0630378600000000 ]  - [   0.0155701200000000,  0.0002404100000000,  0.0218704600000000 ]  - [   0.0159167500000000,  0.0000000000000000,  0.0219545500000000 ]  - [   0.0155701200000000, -0.0002404100000000,  0.0218704600000000 ]  - [   0.0159561400000000,  0.0000000000000000,  0.0211458000000000 ]  - [   0.0159891600000000, -0.0003698800000000,  0.0205161900000000 ]  - [   0.0157807000000000,  0.0000000000000000,  0.0207855700000000 ]  - [   0.0159891600000000,  0.0003698800000000,  0.0205161900000000 ]  - [   0.0156687700000000,  0.0000000000000000,  0.0209973800000000 ]  - [   0.0159913100000000,  0.0001345900000000,  0.0205124300000000 ]  - [   0.0158522700000000,  0.0000000000000000,  0.0208227900000000 ]  - [   0.0159913100000000, -0.0001345900000000,  0.0205124300000000 ]  - [  -0.0151038800000000,  0.0001385400000000, -0.0217727100000000 ]  - [  -0.0158135700000000, -0.0000378500000000, -0.0210261400000000 ]  - [  -0.0158135700000000,  0.0000378500000000, -0.0210261400000000 ]  - [  -0.0151038800000000, -0.0001385400000000, -0.0217727100000000 ]  - [  -0.0156951700000000, -0.0000011400000000, -0.0211701500000000 ]  - [  -0.0157793700000000,  0.0002273600000000, -0.0213852700000000 ]  - [  -0.0157793700000000, -0.0002273600000000, -0.0213852700000000 ]  - [  -0.0156951700000000,  0.0000011400000000, -0.0211701500000000 ]  - [  -0.0141986900000000, -0.0026048600000000, -0.0190437000000000 ]  - [  -0.0156764800000000,  0.0000383200000000, -0.0209625100000000 ]  - [  -0.0156764800000000, -0.0000383200000000, -0.0209625100000000 ]  - [  -0.0141986900000000,  0.0026048600000000, -0.0190437000000000 ]  - [   0.0157574100000000, -0.0000282700000000,  0.0212103600000000 ]  - [   0.0157821700000000, -0.0000199800000000,  0.0211477900000000 ]  - [   0.0157821700000000,  0.0000199800000000,  0.0211477900000000 ]  - [   0.0157574100000000,  0.0000282700000000,  0.0212103600000000 ]  - [   0.0158939500000000, -0.0001353300000000,  0.0208971900000000 ]  - [   0.0157457400000000, -0.0003233200000000,  0.0206637400000000 ]  - [   0.0157457400000000,  0.0003233200000000,  0.0206637400000000 ]  - [   0.0158939500000000,  0.0001353300000000,  0.0208971900000000 ]  - [   0.0157778700000000, -0.0001636700000000,  0.0208372400000000 ]  - [   0.0154867200000000,  0.0002399700000000,  0.0205268200000000 ]  - [   0.0154867200000000, -0.0002399700000000,  0.0205268200000000 ]  - [   0.0157778700000000,  0.0001636700000000,  0.0208372400000000 ]  - [  -0.0152354700000000,  0.0000000000000000, -0.0218657900000000 ]  - [  -0.0157767800000000, -0.0000807000000000, -0.0211733000000000 ]  - [  -0.0157830300000000,  0.0000000000000000, -0.0210557400000000 ]  - [  -0.0157767800000000,  0.0000807000000000, -0.0211733000000000 ]  - [  -0.0157489100000000,  0.0000000000000000, -0.0211006700000000 ]  - [  -0.0157392200000000, -0.0000364600000000, -0.0210847300000000 ]  - [  -0.0157690400000000,  0.0000000000000000, -0.0210320500000000 ]  - [  -0.0157392200000000,  0.0000364600000000, -0.0210847300000000 ]  - [  -0.0139822100000000,  0.0000000000000000, -0.0212003900000000 ]  - [  -0.0158233400000000, -0.0002177400000000, -0.0206575100000000 ]  - [  -0.0157891300000000,  0.0000000000000000, -0.0207589900000000 ]  - [  -0.0158233400000000,  0.0002177400000000, -0.0206575100000000 ]  - [   0.0276180700000000,  0.0000000000000000,  0.0040954400000000 ]  - [   0.0113011700000000,  0.0001322700000000,  0.0171550200000000 ]  - [   0.0111838700000000,  0.0000000000000000,  0.0170123400000000 ]  - [   0.0113011700000000, -0.0001322700000000,  0.0171550200000000 ]  - [   0.0112122500000000,  0.0000000000000000,  0.0172057300000000 ]  - [   0.0110219600000000,  0.0000803900000000,  0.0172721000000000 ]  - [   0.0110685000000000,  0.0000000000000000,  0.0171829700000000 ]  - [   0.0110219600000000, -0.0000803900000000,  0.0172721000000000 ]  - [   0.0107666800000000,  0.0000000000000000,  0.0176180800000000 ]  - [   0.0123702400000000, -0.0013867400000000,  0.0180493000000000 ]  - [   0.0111079300000000,  0.0000000000000000,  0.0171358800000000 ]  - [   0.0123702400000000,  0.0013867400000000,  0.0180493000000000 ]  - [  -0.0140828200000000, -0.0017598500000000, -0.0165747600000000 ]  - [  -0.0111072300000000,  0.0000234400000000, -0.0171282100000000 ]  - [  -0.0111072300000000, -0.0000234400000000, -0.0171282100000000 ]  - [  -0.0140828200000000,  0.0017598500000000, -0.0165747600000000 ]  - [  -0.0111421400000000,  0.0000562200000000, -0.0169595100000000 ]  - [  -0.0111790200000000, -0.0000576600000000, -0.0169549300000000 ]  - [  -0.0111790200000000,  0.0000576600000000, -0.0169549300000000 ]  - [  -0.0111421400000000, -0.0000562200000000, -0.0169595100000000 ]  - [  -0.0102927600000000,  0.0052659800000000, -0.0270619200000000 ]  - [  -0.0106142900000000,  0.0023217300000000, -0.0170053300000000 ]  - [  -0.0106142900000000, -0.0023217300000000, -0.0170053300000000 ]  - [  -0.0102927600000000, -0.0052659800000000, -0.0270619200000000 ]  - [   0.0110251900000000,  0.0000275200000000,  0.0171026900000000 ]  - [   0.0110851900000000, -0.0000034000000000,  0.0170614900000000 ]  - [   0.0110851900000000,  0.0000034000000000,  0.0170614900000000 ]  - [   0.0110251900000000, -0.0000275200000000,  0.0171026900000000 ]  - [   0.0110713700000000,  0.0000767200000000,  0.0171746500000000 ]  - [   0.0110878200000000,  0.0000738200000000,  0.0172706600000000 ]  - [   0.0110878200000000, -0.0000738200000000,  0.0172706600000000 ]  - [   0.0110713700000000, -0.0000767200000000,  0.0171746500000000 ]  - [   0.0110810500000000,  0.0000630400000000,  0.0171962100000000 ]  - [   0.0111910300000000,  0.0000297700000000,  0.0170759800000000 ]  - [   0.0111910300000000, -0.0000297700000000,  0.0170759800000000 ]  - [   0.0110810500000000, -0.0000630400000000,  0.0171962100000000 ]  - [  -0.0106018800000000,  0.0000000000000000, -0.0158976800000000 ]  - [  -0.0112800800000000, -0.0000054900000000, -0.0171142400000000 ]  - [  -0.0111333900000000,  0.0000000000000000, -0.0171459200000000 ]  - [  -0.0112800800000000,  0.0000054900000000, -0.0171142400000000 ]  - [  -0.0111162700000000,  0.0000000000000000, -0.0168961000000000 ]  - [  -0.0110571600000000,  0.0000514100000000, -0.0168848600000000 ]  - [  -0.0112191000000000,  0.0000000000000000, -0.0168775200000000 ]  - [  -0.0110571600000000, -0.0000514100000000, -0.0168848600000000 ]  - [  -0.0113555200000000,  0.0000000000000000, -0.0168909400000000 ]  - [  -0.0111518800000000,  0.0000978200000000, -0.0172426900000000 ]  - [  -0.0110876500000000,  0.0000000000000000, -0.0171852300000000 ]  - [  -0.0111518800000000, -0.0000978200000000, -0.0172426900000000 ]  - [   0.0099410200000000, -0.0016210800000000, -0.0013723600000000 ]  - [   0.0085290500000000,  0.0000589400000000,  0.0010696100000000 ]  - [   0.0085290500000000, -0.0000589400000000,  0.0010696100000000 ]  - [   0.0099410200000000,  0.0016210800000000, -0.0013723600000000 ]  - [   0.0084262000000000,  0.0000308300000000,  0.0013404900000000 ]  - [   0.0084675200000000,  0.0000259100000000,  0.0013251400000000 ]  - [   0.0084675200000000, -0.0000259100000000,  0.0013251400000000 ]  - [   0.0084262000000000, -0.0000308300000000,  0.0013404900000000 ]  - [   0.0091710600000000,  0.0015663200000000, -0.0005702700000000 ]  - [   0.0078807200000000, -0.0001962400000000,  0.0011862200000000 ]  - [   0.0078807200000000,  0.0001962400000000,  0.0011862200000000 ]  - [   0.0091710600000000, -0.0015663200000000, -0.0005702700000000 ]  - [  -0.0021102900000000,  0.0000000000000000, -0.0003367900000000 ]  - [  -0.0084830100000000,  0.0006450100000000, -0.0015381000000000 ]  - [  -0.0084938200000000,  0.0000000000000000, -0.0013340700000000 ]  - [  -0.0084830100000000, -0.0006450100000000, -0.0015381000000000 ]  - [  -0.0085362600000000,  0.0000000000000000, -0.0010447700000000 ]  - [  -0.0084676900000000,  0.0000373200000000, -0.0010518200000000 ]  - [  -0.0085351300000000,  0.0000000000000000, -0.0010971000000000 ]  - [  -0.0084676900000000, -0.0000373200000000, -0.0010518200000000 ]  - [  -0.0100464200000000,  0.0000000000000000, -0.0054806300000000 ]  - [  -0.0121299500000000,  0.0023479400000000, -0.0017008100000000 ]  - [  -0.0082365800000000,  0.0000000000000000, -0.0006113800000000 ]  - [  -0.0121299500000000, -0.0023479400000000, -0.0017008100000000 ]  - [   0.0086716900000000,  0.0000000000000000,  0.0002497200000000 ]  - [   0.0085667600000000,  0.0002580300000000,  0.0011476400000000 ]  - [   0.0085021000000000,  0.0000000000000000,  0.0012235300000000 ]  - [   0.0085667600000000, -0.0002580300000000,  0.0011476400000000 ]  - [   0.0084534900000000,  0.0000000000000000,  0.0013161600000000 ]  - [   0.0084150100000000,  0.0000238500000000,  0.0012899100000000 ]  - [   0.0085257300000000,  0.0000000000000000,  0.0012415500000000 ]  - [   0.0084150100000000, -0.0000238500000000,  0.0012899100000000 ]  - [   0.0085054300000000,  0.0000000000000000,  0.0011034100000000 ]  - [   0.0088523500000000,  0.0000603100000000,  0.0010283800000000 ]  - [   0.0085639500000000,  0.0000000000000000,  0.0011616600000000 ]  - [   0.0088523500000000, -0.0000603100000000,  0.0010283800000000 ]  - [  -0.0089994400000000, -0.0005192100000000, -0.0019272200000000 ]  - [  -0.0085910800000000,  0.0001893500000000, -0.0013697300000000 ]  - [  -0.0085910800000000, -0.0001893500000000, -0.0013697300000000 ]  - [  -0.0089994400000000,  0.0005192100000000, -0.0019272200000000 ]  - [  -0.0084327900000000,  0.0000284500000000, -0.0011052200000000 ]  - [  -0.0084120400000000, -0.0000410100000000, -0.0011436900000000 ]  - [  -0.0084120400000000,  0.0000410100000000, -0.0011436900000000 ]  - [  -0.0084327900000000, -0.0000284500000000, -0.0011052200000000 ]  - [  -0.0084178900000000,  0.0000605300000000, -0.0013932600000000 ]  - [  -0.0084494900000000, -0.0000538700000000, -0.0012921000000000 ]  - [  -0.0084494900000000,  0.0000538700000000, -0.0012921000000000 ]  - [  -0.0084178900000000, -0.0000605300000000, -0.0013932600000000 ]- atom:   49  displacement:    [   0.0099948830452462,  0.0000000000000000, -0.0003198638958201 ]  forces:  - [   0.0388337300000000,  0.0000000000000000,  0.0125119300000000 ]  - [   0.0159874800000000, -0.0002923100000000,  0.0208952400000000 ]  - [   0.0157429700000000,  0.0000000000000000,  0.0208991300000000 ]  - [   0.0159874800000000,  0.0002923100000000,  0.0208952400000000 ]  - [   0.0156419800000000,  0.0000000000000000,  0.0213343900000000 ]  - [   0.0153207500000000, -0.0021388300000000,  0.0194026500000000 ]  - [   0.0158453000000000,  0.0000000000000000,  0.0210416900000000 ]  - [   0.0153207500000000,  0.0021388300000000,  0.0194026500000000 ]  - [   0.0158592900000000,  0.0000000000000000,  0.0209387400000000 ]  - [   0.0157742600000000,  0.0000105100000000,  0.0211069000000000 ]  - [   0.0157908300000000,  0.0000000000000000,  0.0210604800000000 ]  - [   0.0157742600000000, -0.0000105100000000,  0.0211069000000000 ]  - [  -0.0176830100000000,  0.0005292200000000, -0.0186182800000000 ]  - [  -0.0158303000000000,  0.0000135200000000, -0.0210352900000000 ]  - [  -0.0158303000000000, -0.0000135200000000, -0.0210352900000000 ]  - [  -0.0176830100000000, -0.0005292200000000, -0.0186182800000000 ]  - [  -0.0157750700000000, -0.0000251200000000, -0.0209584700000000 ]  - [  -0.0157295300000000, -0.0000923600000000, -0.0208931700000000 ]  - [  -0.0157295300000000,  0.0000923600000000, -0.0208931700000000 ]  - [  -0.0157750700000000,  0.0000251200000000, -0.0209584700000000 ]  - [  -0.0088760500000000, -0.0023958300000000, -0.0187119900000000 ]  - [  -0.0155643300000000,  0.0009676100000000, -0.0214335300000000 ]  - [  -0.0155643300000000, -0.0009676100000000, -0.0214335300000000 ]  - [  -0.0088760500000000,  0.0023958300000000, -0.0187119900000000 ]  - [   0.0155402700000000, -0.0000139700000000,  0.0209819400000000 ]  - [   0.0158044200000000, -0.0000463600000000,  0.0210413500000000 ]  - [   0.0158044200000000,  0.0000463600000000,  0.0210413500000000 ]  - [   0.0155402700000000,  0.0000139700000000,  0.0209819400000000 ]  - [   0.0156879800000000, -0.0000045700000000,  0.0209909600000000 ]  - [   0.0157256900000000, -0.0001488800000000,  0.0208825500000000 ]  - [   0.0157256900000000,  0.0001488800000000,  0.0208825500000000 ]  - [   0.0156879800000000,  0.0000045700000000,  0.0209909600000000 ]  - [   0.0157496400000000, -0.0000052100000000,  0.0210352800000000 ]  - [   0.0157921300000000,  0.0000148700000000,  0.0210408900000000 ]  - [   0.0157921300000000, -0.0000148700000000,  0.0210408900000000 ]  - [   0.0157496400000000,  0.0000052100000000,  0.0210352800000000 ]  - [  -0.0156150300000000,  0.0000000000000000, -0.0214560500000000 ]  - [  -0.0155387000000000,  0.0003053400000000, -0.0206923900000000 ]  - [  -0.0157309500000000,  0.0000000000000000, -0.0209557000000000 ]  - [  -0.0155387000000000, -0.0003053400000000, -0.0206923900000000 ]  - [  -0.0157846700000000,  0.0000000000000000, -0.0209933400000000 ]  - [  -0.0157723500000000,  0.0000134300000000, -0.0210516100000000 ]  - [  -0.0157841800000000,  0.0000000000000000, -0.0208770100000000 ]  - [  -0.0157723500000000, -0.0000134300000000, -0.0210516100000000 ]  - [  -0.0161509900000000,  0.0000000000000000, -0.0209160900000000 ]  - [  -0.0158203000000000, -0.0000493500000000, -0.0209817200000000 ]  - [  -0.0157779200000000,  0.0000000000000000, -0.0210313700000000 ]  - [  -0.0158203000000000,  0.0000493500000000, -0.0209817200000000 ]  - [  -0.1039755300000000,  0.0000000000000000,  0.0403110200000000 ]  - [   0.0093451700000000, -0.0041189900000000,  0.0181083900000000 ]  - [   0.0109073500000000,  0.0000000000000000,  0.0167977400000000 ]  - [   0.0093451700000000,  0.0041189900000000,  0.0181083900000000 ]  - [   0.0109469900000000,  0.0000000000000000,  0.0171515300000000 ]  - [   0.0107816700000000, -0.0003033200000000,  0.0169915600000000 ]  - [   0.0110376400000000,  0.0000000000000000,  0.0170394600000000 ]  - [   0.0107816700000000,  0.0003033200000000,  0.0169915600000000 ]  - [   0.0109513900000000,  0.0000000000000000,  0.0170695600000000 ]  - [   0.0107810000000000,  0.0003005700000000,  0.0169317200000000 ]  - [   0.0110396200000000,  0.0000000000000000,  0.0170829500000000 ]  - [   0.0107810000000000, -0.0003005700000000,  0.0169317200000000 ]  - [  -0.0081800300000000, -0.0002479900000000, -0.0214193100000000 ]  - [  -0.0111874500000000,  0.0004595600000000, -0.0172688100000000 ]  - [  -0.0111874500000000, -0.0004595600000000, -0.0172688100000000 ]  - [  -0.0081800300000000,  0.0002479900000000, -0.0214193100000000 ]  - [  -0.0111733000000000, -0.0000230600000000, -0.0171274700000000 ]  - [  -0.0111747200000000, -0.0000555700000000, -0.0171189800000000 ]  - [  -0.0111747200000000,  0.0000555700000000, -0.0171189800000000 ]  - [  -0.0111733000000000,  0.0000230600000000, -0.0171274700000000 ]  - [  -0.0097750600000000,  0.0014548900000000, -0.0188998200000000 ]  - [  -0.0112551100000000, -0.0002083400000000, -0.0171549400000000 ]  - [  -0.0112551100000000,  0.0002083400000000, -0.0171549400000000 ]  - [  -0.0097750600000000, -0.0014548900000000, -0.0188998200000000 ]  - [   0.0110182200000000,  0.0002096400000000,  0.0170282000000000 ]  - [   0.0111195800000000, -0.0000661300000000,  0.0171586900000000 ]  - [   0.0111195800000000,  0.0000661300000000,  0.0171586900000000 ]  - [   0.0110182200000000, -0.0002096400000000,  0.0170282000000000 ]  - [   0.0110713100000000,  0.0001024000000000,  0.0169074400000000 ]  - [   0.0111386700000000, -0.0002725600000000,  0.0169441600000000 ]  - [   0.0111386700000000,  0.0002725600000000,  0.0169441600000000 ]  - [   0.0110713100000000, -0.0001024000000000,  0.0169074400000000 ]  - [   0.0110738000000000, -0.0000320700000000,  0.0170199700000000 ]  - [   0.0111424500000000,  0.0000494300000000,  0.0170768600000000 ]  - [   0.0111424500000000, -0.0000494300000000,  0.0170768600000000 ]  - [   0.0110738000000000,  0.0000320700000000,  0.0170199700000000 ]  - [  -0.0108375700000000,  0.0000000000000000, -0.0165363900000000 ]  - [  -0.0111485300000000,  0.0000356300000000, -0.0171065200000000 ]  - [  -0.0111223400000000,  0.0000000000000000, -0.0170793900000000 ]  - [  -0.0111485300000000, -0.0000356300000000, -0.0171065200000000 ]  - [  -0.0111993100000000,  0.0000000000000000, -0.0171176400000000 ]  - [  -0.0111233600000000, -0.0000461200000000, -0.0170645700000000 ]  - [  -0.0111947100000000,  0.0000000000000000, -0.0171802600000000 ]  - [  -0.0111233600000000,  0.0000461200000000, -0.0170645700000000 ]  - [  -0.0109240100000000,  0.0000000000000000, -0.0172430200000000 ]  - [  -0.0112184100000000,  0.0000922500000000, -0.0170645200000000 ]  - [  -0.0111006800000000,  0.0000000000000000, -0.0171901500000000 ]  - [  -0.0112184100000000, -0.0000922500000000, -0.0170645200000000 ]  - [   0.0241544100000000,  0.0107519000000000,  0.0114286100000000 ]  - [   0.0085815600000000,  0.0001638000000000,  0.0011718100000000 ]  - [   0.0085815600000000, -0.0001638000000000,  0.0011718100000000 ]  - [   0.0241544100000000, -0.0107519000000000,  0.0114286100000000 ]  - [   0.0085044900000000, -0.0000513900000000,  0.0011160600000000 ]  - [   0.0085489400000000,  0.0000529500000000,  0.0012164600000000 ]  - [   0.0085489400000000, -0.0000529500000000,  0.0012164600000000 ]  - [   0.0085044900000000,  0.0000513900000000,  0.0011160600000000 ]  - [   0.0088021900000000, -0.0000493300000000,  0.0010399900000000 ]  - [   0.0085268300000000,  0.0000106400000000,  0.0012082400000000 ]  - [   0.0085268300000000, -0.0000106400000000,  0.0012082400000000 ]  - [   0.0088021900000000,  0.0000493300000000,  0.0010399900000000 ]  - [   0.0401481900000000,  0.0000000000000000, -0.0290955600000000 ]  - [  -0.0087982000000000, -0.0000745500000000, -0.0016150100000000 ]  - [  -0.0083797700000000,  0.0000000000000000, -0.0012077700000000 ]  - [  -0.0087982000000000,  0.0000745500000000, -0.0016150100000000 ]  - [  -0.0083253400000000,  0.0000000000000000, -0.0013187700000000 ]  - [  -0.0083422100000000,  0.0000008800000000, -0.0012092700000000 ]  - [  -0.0084358400000000,  0.0000000000000000, -0.0012142700000000 ]  - [  -0.0083422100000000, -0.0000008800000000, -0.0012092700000000 ]  - [  -0.0086884300000000,  0.0000000000000000, -0.0016849300000000 ]  - [  -0.0082626300000000,  0.0002921500000000, -0.0013888600000000 ]  - [  -0.0084699000000000,  0.0000000000000000, -0.0011702800000000 ]  - [  -0.0082626300000000, -0.0002921500000000, -0.0013888600000000 ]  - [   0.0089181600000000,  0.0000000000000000,  0.0009121400000000 ]  - [   0.0085013600000000,  0.0000558400000000,  0.0012844400000000 ]  - [   0.0084660000000000,  0.0000000000000000,  0.0012307000000000 ]  - [   0.0085013600000000, -0.0000558400000000,  0.0012844400000000 ]  - [   0.0084878500000000,  0.0000000000000000,  0.0012043000000000 ]  - [   0.0084389000000000,  0.0000262300000000,  0.0011505700000000 ]  - [   0.0085523100000000,  0.0000000000000000,  0.0012866200000000 ]  - [   0.0084389000000000, -0.0000262300000000,  0.0011505700000000 ]  - [   0.0084542600000000,  0.0000000000000000,  0.0011657500000000 ]  - [   0.0084244000000000, -0.0000791000000000,  0.0012496600000000 ]  - [   0.0084752600000000,  0.0000000000000000,  0.0011883100000000 ]  - [   0.0084244000000000,  0.0000791000000000,  0.0012496600000000 ]  - [  -0.0092311800000000,  0.0002486400000000, -0.0006021400000000 ]  - [  -0.0085212500000000, -0.0000073300000000, -0.0011972500000000 ]  - [  -0.0085212500000000,  0.0000073300000000, -0.0011972500000000 ]  - [  -0.0092311800000000, -0.0002486400000000, -0.0006021400000000 ]  - [  -0.0084191000000000, -0.0000075600000000, -0.0011953700000000 ]  - [  -0.0083775200000000,  0.0000061800000000, -0.0011752600000000 ]  - [  -0.0083775200000000, -0.0000061800000000, -0.0011752600000000 ]  - [  -0.0084191000000000,  0.0000075600000000, -0.0011953700000000 ]  - [  -0.0084262400000000, -0.0000283900000000, -0.0012170000000000 ]  - [  -0.0084346000000000, -0.0000246900000000, -0.0011882900000000 ]  - [  -0.0084346000000000,  0.0000246900000000, -0.0011882900000000 ]  - [  -0.0084262400000000,  0.0000283900000000, -0.0012170000000000 ]- atom:   49  displacement:    [  -0.0099948830452462,  0.0000000000000000,  0.0003198638958201 ]  forces:  - [  -0.0059077200000000,  0.0000000000000000,  0.0287236300000000 ]  - [   0.0155741400000000,  0.0002899700000000,  0.0211264900000000 ]  - [   0.0158125000000000,  0.0000000000000000,  0.0211248700000000 ]  - [   0.0155741400000000, -0.0002899700000000,  0.0211264900000000 ]  - [   0.0159085800000000,  0.0000000000000000,  0.0206811900000000 ]  - [   0.0162482700000000,  0.0022067400000000,  0.0226728400000000 ]  - [   0.0157076100000000,  0.0000000000000000,  0.0209789000000000 ]  - [   0.0162482700000000, -0.0022067400000000,  0.0226728400000000 ]  - [   0.0156882100000000,  0.0000000000000000,  0.0210888400000000 ]  - [   0.0157802100000000, -0.0000101700000000,  0.0209149400000000 ]  - [   0.0157629700000000,  0.0000000000000000,  0.0209624100000000 ]  - [   0.0157802100000000,  0.0000101700000000,  0.0209149400000000 ]  - [  -0.0138584200000000, -0.0005208500000000, -0.0233986600000000 ]  - [  -0.0157218600000000, -0.0000123800000000, -0.0209856200000000 ]  - [  -0.0157218600000000,  0.0000123800000000, -0.0209856200000000 ]  - [  -0.0138584200000000,  0.0005208500000000, -0.0233986600000000 ]  - [  -0.0157787300000000,  0.0000230400000000, -0.0210596000000000 ]  - [  -0.0158245100000000,  0.0000925700000000, -0.0211254000000000 ]  - [  -0.0158245100000000, -0.0000925700000000, -0.0211254000000000 ]  - [  -0.0157787300000000, -0.0000230400000000, -0.0210596000000000 ]  - [  -0.0228264600000000,  0.0026079600000000, -0.0234074900000000 ]  - [  -0.0159822200000000, -0.0009881000000000, -0.0205594300000000 ]  - [  -0.0159822200000000,  0.0009881000000000, -0.0205594300000000 ]  - [  -0.0228264600000000, -0.0026079600000000, -0.0234074900000000 ]  - [   0.0160102800000000,  0.0000112300000000,  0.0210433700000000 ]  - [   0.0157488900000000,  0.0000458500000000,  0.0209765600000000 ]  - [   0.0157488900000000, -0.0000458500000000,  0.0209765600000000 ]  - [   0.0160102800000000, -0.0000112300000000,  0.0210433700000000 ]  - [   0.0158660500000000,  0.0000055900000000,  0.0210279200000000 ]  - [   0.0158264800000000,  0.0001489600000000,  0.0211370100000000 ]  - [   0.0158264800000000, -0.0001489600000000,  0.0211370100000000 ]  - [   0.0158660500000000, -0.0000055900000000,  0.0210279200000000 ]  - [   0.0158020900000000,  0.0000041700000000,  0.0209850300000000 ]  - [   0.0157600600000000, -0.0000163900000000,  0.0209765400000000 ]  - [   0.0157600600000000,  0.0000163900000000,  0.0209765400000000 ]  - [   0.0158020900000000, -0.0000041700000000,  0.0209850300000000 ]  - [  -0.0159349100000000,  0.0000000000000000, -0.0205805100000000 ]  - [  -0.0160241000000000, -0.0003174900000000, -0.0213462800000000 ]  - [  -0.0158247800000000,  0.0000000000000000, -0.0210679600000000 ]  - [  -0.0160241000000000,  0.0003174900000000, -0.0213462800000000 ]  - [  -0.0157688800000000,  0.0000000000000000, -0.0210305900000000 ]  - [  -0.0157799300000000, -0.0000136300000000, -0.0209690200000000 ]  - [  -0.0157717400000000,  0.0000000000000000, -0.0211502500000000 ]  - [  -0.0157799300000000,  0.0000136300000000, -0.0209690200000000 ]  - [  -0.0153995300000000,  0.0000000000000000, -0.0211087600000000 ]  - [  -0.0157350100000000,  0.0000457800000000, -0.0210379200000000 ]  - [  -0.0157769700000000,  0.0000000000000000, -0.0209906800000000 ]  - [  -0.0157350100000000, -0.0000457800000000, -0.0210379200000000 ]  - [   0.1269277800000000,  0.0000000000000000, -0.0066632500000000 ]  - [   0.0128523000000000,  0.0040553800000000,  0.0160155900000000 ]  - [   0.0112964200000000,  0.0000000000000000,  0.0173701900000000 ]  - [   0.0128523000000000, -0.0040553800000000,  0.0160155900000000 ]  - [   0.0112563500000000,  0.0000000000000000,  0.0170217200000000 ]  - [   0.0114262400000000,  0.0003033700000000,  0.0171806600000000 ]  - [   0.0111680500000000,  0.0000000000000000,  0.0171335800000000 ]  - [   0.0114262400000000, -0.0003033700000000,  0.0171806600000000 ]  - [   0.0112662600000000,  0.0000000000000000,  0.0170943600000000 ]  - [   0.0114295200000000, -0.0003071900000000,  0.0172446400000000 ]  - [   0.0111669200000000,  0.0000000000000000,  0.0170895700000000 ]  - [   0.0114295200000000,  0.0003071900000000,  0.0172446400000000 ]  - [  -0.0140991600000000,  0.0001475800000000, -0.0127813100000000 ]  - [  -0.0110189900000000, -0.0004669100000000, -0.0169018400000000 ]  - [  -0.0110189900000000,  0.0004669100000000, -0.0169018400000000 ]  - [  -0.0140991600000000, -0.0001475800000000, -0.0127813100000000 ]  - [  -0.0110325600000000,  0.0000229500000000, -0.0170498600000000 ]  - [  -0.0110301500000000,  0.0000558500000000, -0.0170586800000000 ]  - [  -0.0110301500000000, -0.0000558500000000, -0.0170586800000000 ]  - [  -0.0110325600000000, -0.0000229500000000, -0.0170498600000000 ]  - [  -0.0123820000000000, -0.0015565400000000, -0.0152201500000000 ]  - [  -0.0109484500000000,  0.0002137000000000, -0.0170217500000000 ]  - [  -0.0109484500000000, -0.0002137000000000, -0.0170217500000000 ]  - [  -0.0123820000000000,  0.0015565400000000, -0.0152201500000000 ]  - [   0.0111861300000000, -0.0002032300000000,  0.0171526200000000 ]  - [   0.0110867600000000,  0.0000673300000000,  0.0170173500000000 ]  - [   0.0110867600000000, -0.0000673300000000,  0.0170173500000000 ]  - [   0.0111861300000000,  0.0002032300000000,  0.0171526200000000 ]  - [   0.0111353400000000, -0.0001047900000000,  0.0172725800000000 ]  - [   0.0110681800000000,  0.0002788400000000,  0.0172360200000000 ]  - [   0.0110681800000000, -0.0002788400000000,  0.0172360200000000 ]  - [   0.0111353400000000,  0.0001047900000000,  0.0172725800000000 ]  - [   0.0111305700000000,  0.0000302300000000,  0.0171546800000000 ]  - [   0.0110636400000000, -0.0000472300000000,  0.0170986900000000 ]  - [   0.0110636400000000,  0.0000472300000000,  0.0170986900000000 ]  - [   0.0111305700000000, -0.0000302300000000,  0.0171546800000000 ]  - [  -0.0113595900000000,  0.0000000000000000, -0.0176193400000000 ]  - [  -0.0110444100000000, -0.0000371300000000, -0.0170703200000000 ]  - [  -0.0110832300000000,  0.0000000000000000, -0.0170943500000000 ]  - [  -0.0110444100000000,  0.0000371300000000, -0.0170703200000000 ]  - [  -0.0110045600000000,  0.0000000000000000, -0.0170551900000000 ]  - [  -0.0110815800000000,  0.0000465500000000, -0.0171083400000000 ]  - [  -0.0110061200000000,  0.0000000000000000, -0.0169953100000000 ]  - [  -0.0110815800000000, -0.0000465500000000, -0.0171083400000000 ]  - [  -0.0112837800000000,  0.0000000000000000, -0.0169278300000000 ]  - [  -0.0109892300000000, -0.0000905700000000, -0.0171103400000000 ]  - [  -0.0111060000000000,  0.0000000000000000, -0.0169846700000000 ]  - [  -0.0109892300000000,  0.0000905700000000, -0.0171103400000000 ]  - [  -0.0072344000000000, -0.0107222500000000, -0.0089942400000000 ]  - [   0.0083397800000000, -0.0001466900000000,  0.0012512000000000 ]  - [   0.0083397800000000,  0.0001466900000000,  0.0012512000000000 ]  - [  -0.0072344000000000,  0.0107222500000000, -0.0089942400000000 ]  - [   0.0084152400000000,  0.0000517900000000,  0.0012889700000000 ]  - [   0.0083713900000000, -0.0000538500000000,  0.0011877500000000 ]  - [   0.0083713900000000,  0.0000538500000000,  0.0011877500000000 ]  - [   0.0084152400000000, -0.0000517900000000,  0.0012889700000000 ]  - [   0.0081054200000000,  0.0000560100000000,  0.0013645800000000 ]  - [   0.0083897200000000, -0.0000105300000000,  0.0011985100000000 ]  - [   0.0083897200000000,  0.0000105300000000,  0.0011985100000000 ]  - [   0.0081054200000000, -0.0000560100000000,  0.0013645800000000 ]  - [  -0.0588986100000000,  0.0000000000000000,  0.0280686900000000 ]  - [  -0.0081357600000000,  0.0000900400000000, -0.0007781700000000 ]  - [  -0.0085423800000000,  0.0000000000000000, -0.0011953300000000 ]  - [  -0.0081357600000000, -0.0000900400000000, -0.0007781700000000 ]  - [  -0.0085943400000000,  0.0000000000000000, -0.0010856500000000 ]  - [  -0.0085793400000000, -0.0000010900000000, -0.0011960700000000 ]  - [  -0.0084840400000000,  0.0000000000000000, -0.0011897700000000 ]  - [  -0.0085793400000000,  0.0000010900000000, -0.0011960700000000 ]  - [  -0.0082310400000000,  0.0000000000000000, -0.0007157700000000 ]  - [  -0.0086719700000000, -0.0002732000000000, -0.0010303400000000 ]  - [  -0.0084513800000000,  0.0000000000000000, -0.0012347800000000 ]  - [  -0.0086719700000000,  0.0002732000000000, -0.0010303400000000 ]  - [   0.0080379700000000,  0.0000000000000000,  0.0014625200000000 ]  - [   0.0084199600000000, -0.0000535900000000,  0.0011181000000000 ]  - [   0.0084550400000000,  0.0000000000000000,  0.0011737000000000 ]  - [   0.0084199600000000,  0.0000535900000000,  0.0011181000000000 ]  - [   0.0084322300000000,  0.0000000000000000,  0.0012029700000000 ]  - [   0.0084794300000000, -0.0000269900000000,  0.0012549700000000 ]  - [   0.0083663100000000,  0.0000000000000000,  0.0011193300000000 ]  - [   0.0084794300000000,  0.0000269900000000,  0.0012549700000000 ]  - [   0.0084700700000000,  0.0000000000000000,  0.0012416300000000 ]  - [   0.0084993000000000,  0.0000764500000000,  0.0011589300000000 ]  - [   0.0084432800000000,  0.0000000000000000,  0.0012136000000000 ]  - [   0.0084993000000000, -0.0000764500000000,  0.0011589300000000 ]  - [  -0.0076838900000000, -0.0002494600000000, -0.0018145500000000 ]  - [  -0.0083974300000000,  0.0000075600000000, -0.0012102500000000 ]  - [  -0.0083974300000000, -0.0000075600000000, -0.0012102500000000 ]  - [  -0.0076838900000000,  0.0002494600000000, -0.0018145500000000 ]  - [  -0.0085027400000000,  0.0000094000000000, -0.0012111900000000 ]  - [  -0.0085453200000000, -0.0000057300000000, -0.0012310300000000 ]  - [  -0.0085453200000000,  0.0000057300000000, -0.0012310300000000 ]  - [  -0.0085027400000000, -0.0000094000000000, -0.0012111900000000 ]  - [  -0.0084919100000000,  0.0000295400000000, -0.0011903200000000 ]  - [  -0.0084833300000000,  0.0000231800000000, -0.0012192400000000 ]  - [  -0.0084833300000000, -0.0000231800000000, -0.0012192400000000 ]  - [  -0.0084919100000000, -0.0000295400000000, -0.0011903200000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0158475300000000,  0.0060734200000000,  0.0209903500000000 ]  - [   0.0155962500000000, -0.0001392700000000,  0.0210627800000000 ]  - [   0.0157775200000000, -0.0000649500000000,  0.0210117900000000 ]  - [   0.0159592000000000, -0.0001444300000000,  0.0209593700000000 ]  - [   0.0157786300000000, -0.0004220800000000,  0.0210152500000000 ]  - [   0.0159757100000000, -0.0015529100000000,  0.0195475900000000 ]  - [   0.0157782100000000,  0.0000377200000000,  0.0210085700000000 ]  - [   0.0155718600000000, -0.0015356600000000,  0.0224607700000000 ]  - [   0.0157775900000000, -0.0000181800000000,  0.0210093600000000 ]  - [   0.0157116100000000,  0.0000127300000000,  0.0210660000000000 ]  - [   0.0157772500000000, -0.0000279000000000,  0.0210103400000000 ]  - [   0.0158439400000000,  0.0000119900000000,  0.0209546800000000 ]  - [  -0.0173043200000000, -0.0004237000000000, -0.0198107000000000 ]  - [  -0.0157255200000000, -0.0000268300000000, -0.0210102900000000 ]  - [  -0.0158283900000000, -0.0000261600000000, -0.0210093100000000 ]  - [  -0.0142788800000000, -0.0004244600000000, -0.0221929500000000 ]  - [  -0.0157686800000000,  0.0000301600000000, -0.0210701900000000 ]  - [  -0.0158024800000000, -0.0000363400000000, -0.0209600600000000 ]  - [  -0.0157506800000000, -0.0000382800000000, -0.0210623400000000 ]  - [  -0.0157837800000000,  0.0000301900000000, -0.0209510300000000 ]  - [  -0.0202937200000000,  0.0100392200000000, -0.0294952100000000 ]  - [  -0.0166140100000000,  0.0026100000000000, -0.0240941200000000 ]  - [  -0.0149523400000000,  0.0025419300000000, -0.0179865700000000 ]  - [  -0.0115321700000000,  0.0092999200000000, -0.0132108600000000 ]  - [   0.0161308300000000, -0.0000948800000000,  0.0212309300000000 ]  - [   0.0157081200000000,  0.0000287600000000,  0.0209706700000000 ]  - [   0.0158447700000000,  0.0000294500000000,  0.0210514100000000 ]  - [   0.0154219500000000, -0.0000940300000000,  0.0207961100000000 ]  - [   0.0157487000000000,  0.0000352900000000,  0.0210655400000000 ]  - [   0.0157155300000000, -0.0000626000000000,  0.0210106300000000 ]  - [   0.0158376900000000, -0.0000609500000000,  0.0210076300000000 ]  - [   0.0158052100000000,  0.0000361200000000,  0.0209530800000000 ]  - [   0.0157022100000000,  0.0000468200000000,  0.0210546000000000 ]  - [   0.0158144600000000, -0.0001663000000000,  0.0211104500000000 ]  - [   0.0157402600000000, -0.0001648200000000,  0.0209069000000000 ]  - [   0.0158528400000000,  0.0000466200000000,  0.0209598700000000 ]  - [  -0.0157754000000000, -0.0001323100000000, -0.0210226700000000 ]  - [  -0.0161089100000000, -0.0001005800000000, -0.0211792700000000 ]  - [  -0.0157781900000000, -0.0002837400000000, -0.0210126700000000 ]  - [  -0.0154542100000000, -0.0000931600000000, -0.0208504800000000 ]  - [  -0.0157762700000000,  0.0001126900000000, -0.0210141200000000 ]  - [  -0.0157778700000000,  0.0001511700000000, -0.0210723100000000 ]  - [  -0.0157772300000000, -0.0006887200000000, -0.0210149400000000 ]  - [  -0.0157755700000000,  0.0001539900000000, -0.0209542700000000 ]  - [  -0.0157762400000000,  0.0000101300000000, -0.0210102300000000 ]  - [  -0.0157052800000000, -0.0000557300000000, -0.0210820500000000 ]  - [  -0.0157777600000000,  0.0000488800000000, -0.0210093300000000 ]  - [  -0.0158482000000000, -0.0000516200000000, -0.0209355400000000 ]  - [   0.0109212600000000, -0.1298894000000000,  0.0164397000000000 ]  - [   0.0155403700000000,  0.0040893700000000,  0.0268872200000000 ]  - [   0.0110966100000000, -0.0007588000000000,  0.0170761300000000 ]  - [   0.0067397500000000,  0.0042388400000000,  0.0074782600000000 ]  - [   0.0111016400000000,  0.0003008700000000,  0.0170883600000000 ]  - [   0.0107997000000000, -0.0001164900000000,  0.0171583600000000 ]  - [   0.0111018200000000,  0.0000374700000000,  0.0170866800000000 ]  - [   0.0114036400000000, -0.0001171900000000,  0.0170175600000000 ]  - [   0.0110981300000000,  0.0003009500000000,  0.0170888500000000 ]  - [   0.0113978600000000, -0.0001168500000000,  0.0169636000000000 ]  - [   0.0111013900000000,  0.0000372600000000,  0.0170878100000000 ]  - [   0.0107992900000000, -0.0001167500000000,  0.0172133300000000 ]  - [  -0.0111196900000000,  0.0033555000000000, -0.0122011300000000 ]  - [  -0.0106382100000000,  0.0005520600000000, -0.0169459000000000 ]  - [  -0.0115747900000000,  0.0005354800000000, -0.0172268100000000 ]  - [  -0.0110353900000000,  0.0033522000000000, -0.0219285500000000 ]  - [  -0.0111255900000000,  0.0000295800000000, -0.0170618100000000 ]  - [  -0.0111593500000000, -0.0000303900000000, -0.0171014900000000 ]  - [  -0.0110471900000000, -0.0000301000000000, -0.0170750400000000 ]  - [  -0.0110812600000000,  0.0000300300000000, -0.0171140900000000 ]  - [  -0.0097145500000000,  0.0014321100000000, -0.0194233700000000 ]  - [  -0.0113162300000000,  0.0000719600000000, -0.0170520400000000 ]  - [  -0.0108960900000000,  0.0000703300000000, -0.0171282500000000 ]  - [  -0.0125775400000000,  0.0014044500000000, -0.0147484400000000 ]  - [   0.0108994700000000, -0.0000189400000000,  0.0171956600000000 ]  - [   0.0111700300000000, -0.0000341600000000,  0.0170766900000000 ]  - [   0.0110371800000000, -0.0000335300000000,  0.0171013800000000 ]  - [   0.0113055900000000, -0.0000186000000000,  0.0169795900000000 ]  - [   0.0111362700000000, -0.0001362700000000,  0.0171528900000000 ]  - [   0.0110483300000000,  0.0002638100000000,  0.0168973400000000 ]  - [   0.0111575100000000,  0.0002572600000000,  0.0172841700000000 ]  - [   0.0110702100000000, -0.0001368600000000,  0.0170295500000000 ]  - [   0.0109907300000000, -0.0001364300000000,  0.0168736500000000 ]  - [   0.0113754500000000,  0.0002627300000000,  0.0170526400000000 ]  - [   0.0108261600000000,  0.0002585700000000,  0.0171284000000000 ]  - [   0.0112117500000000, -0.0001369700000000,  0.0173069200000000 ]  - [  -0.0110961500000000, -0.0000198300000000, -0.0170734900000000 ]  - [  -0.0110702800000000,  0.0000123500000000, -0.0172695400000000 ]  - [  -0.0111024800000000,  0.0000742900000000, -0.0170872400000000 ]  - [  -0.0111314100000000,  0.0000141100000000, -0.0169082100000000 ]  - [  -0.0111021500000000, -0.0001178300000000, -0.0170864400000000 ]  - [  -0.0111465600000000,  0.0000718700000000, -0.0170328800000000 ]  - [  -0.0111016800000000,  0.0003077500000000, -0.0170872000000000 ]  - [  -0.0110577100000000,  0.0000714000000000, -0.0171398100000000 ]  - [  -0.0111048500000000, -0.0001530800000000, -0.0170868000000000 ]  - [  -0.0110116300000000,  0.0002853100000000, -0.0170691500000000 ]  - [  -0.0111028200000000, -0.0002764900000000, -0.0170877500000000 ]  - [  -0.0111957700000000,  0.0002822100000000, -0.0171059500000000 ]  - [   0.0144689200000000,  0.0384905900000000,  0.0283388900000000 ]  - [   0.0077003800000000,  0.0002149900000000, -0.0000543800000000 ]  - [   0.0092115900000000,  0.0001926100000000,  0.0024479800000000 ]  - [   0.0027995500000000,  0.0373793300000000, -0.0247117100000000 ]  - [   0.0084096800000000, -0.0000225300000000,  0.0011663900000000 ]  - [   0.0085081000000000,  0.0000329400000000,  0.0012492500000000 ]  - [   0.0084111900000000,  0.0000326300000000,  0.0011583000000000 ]  - [   0.0085097200000000, -0.0000219600000000,  0.0012409300000000 ]  - [   0.0085646600000000,  0.0000533300000000,  0.0008791500000000 ]  - [   0.0085246300000000,  0.0000377400000000,  0.0012231300000000 ]  - [   0.0083954500000000,  0.0000388300000000,  0.0011849900000000 ]  - [   0.0083730700000000,  0.0000600200000000,  0.0015313400000000 ]  - [  -0.0084335900000000,  0.0107232600000000, -0.0012408800000000 ]  - [  -0.0089692200000000, -0.0001840600000000, -0.0019326100000000 ]  - [  -0.0084586100000000, -0.0001723000000000, -0.0012029100000000 ]  - [  -0.0079565300000000, -0.0002129900000000, -0.0004761500000000 ]  - [  -0.0084593200000000, -0.0000237200000000, -0.0012018700000000 ]  - [  -0.0083677900000000,  0.0000206300000000, -0.0011948400000000 ]  - [  -0.0084593900000000,  0.0000133800000000, -0.0012015700000000 ]  - [  -0.0085510500000000,  0.0000211000000000, -0.0012085700000000 ]  - [  -0.0084581900000000, -0.0004632200000000, -0.0012037200000000 ]  - [  -0.0084893600000000,  0.0002691000000000, -0.0014102300000000 ]  - [  -0.0084607500000000,  0.0000185100000000, -0.0011996500000000 ]  - [  -0.0084220900000000,  0.0002736800000000, -0.0009837300000000 ]  - [   0.0084712500000000,  0.0000855000000000,  0.0011876600000000 ]  - [   0.0085812400000000, -0.0000207200000000,  0.0012640100000000 ]  - [   0.0084603300000000, -0.0000254800000000,  0.0012021900000000 ]  - [   0.0083415300000000, -0.0000258900000000,  0.0011412200000000 ]  - [   0.0084605100000000,  0.0000276400000000,  0.0012043400000000 ]  - [   0.0084797700000000, -0.0000217700000000,  0.0012124900000000 ]  - [   0.0084604500000000, -0.0000505100000000,  0.0012033800000000 ]  - [   0.0084395500000000, -0.0000204900000000,  0.0011937100000000 ]  - [   0.0084602500000000, -0.0003454400000000,  0.0012002900000000 ]  - [   0.0081854300000000, -0.0002219300000000,  0.0011001800000000 ]  - [   0.0084630700000000,  0.0001763800000000,  0.0012044100000000 ]  - [   0.0087403800000000, -0.0002188600000000,  0.0013072100000000 ]  - [  -0.0081766700000000,  0.0000475200000000, -0.0013407000000000 ]  - [  -0.0083914900000000, -0.0000243400000000, -0.0012315300000000 ]  - [  -0.0085281800000000, -0.0000261800000000, -0.0011771300000000 ]  - [  -0.0087357500000000,  0.0000395300000000, -0.0010687900000000 ]  - [  -0.0084184200000000, -0.0000320400000000, -0.0011869100000000 ]  - [  -0.0083491500000000, -0.0000814900000000, -0.0012435900000000 ]  - [  -0.0085714800000000, -0.0000807500000000, -0.0011617100000000 ]  - [  -0.0085022200000000, -0.0000316900000000, -0.0012167300000000 ]  - [  -0.0085238800000000, -0.0000966200000000, -0.0011973400000000 ]  - [  -0.0085469900000000,  0.0001047100000000, -0.0010814400000000 ]  - [  -0.0083684900000000,  0.0001066900000000, -0.0013261200000000 ]  - [  -0.0083946600000000, -0.0000974900000000, -0.0012131600000000 ]- atom:   49  displacement:    [  -0.0046282778705144,  0.0000000000000000,  0.0088644821593428 ]  forces:  - [  -0.0006337000000000,  0.0000000000000000,  0.0340453400000000 ]  - [   0.0158485600000000,  0.0003382600000000,  0.0210841100000000 ]  - [   0.0158032000000000,  0.0000000000000000,  0.0211444200000000 ]  - [   0.0158485600000000, -0.0003382600000000,  0.0210841100000000 ]  - [   0.0161812200000000,  0.0000000000000000,  0.0205166600000000 ]  - [   0.0164913100000000,  0.0004537400000000,  0.0210915500000000 ]  - [   0.0158096000000000,  0.0000000000000000,  0.0209815100000000 ]  - [   0.0164913100000000, -0.0004537400000000,  0.0210915500000000 ]  - [   0.0157998000000000,  0.0000000000000000,  0.0209625100000000 ]  - [   0.0158439400000000, -0.0000334600000000,  0.0208176900000000 ]  - [   0.0157752800000000,  0.0000000000000000,  0.0208946500000000 ]  - [   0.0158439400000000,  0.0000334600000000,  0.0208176900000000 ]  - [  -0.0148523300000000, -0.0008686300000000, -0.0226197200000000 ]  - [  -0.0157741000000000, -0.0000403900000000, -0.0209717200000000 ]  - [  -0.0157741000000000,  0.0000403900000000, -0.0209717200000000 ]  - [  -0.0148523300000000,  0.0008686300000000, -0.0226197200000000 ]  - [  -0.0157448800000000,  0.0000061300000000, -0.0211429800000000 ]  - [  -0.0157926400000000,  0.0000873000000000, -0.0211919100000000 ]  - [  -0.0157926400000000, -0.0000873000000000, -0.0211919100000000 ]  - [  -0.0157448800000000, -0.0000061300000000, -0.0211429800000000 ]  - [  -0.0167530600000000, -0.0044714500000000, -0.0113167400000000 ]  - [  -0.0157720100000000,  0.0013615600000000, -0.0208281400000000 ]  - [  -0.0157720100000000, -0.0013615600000000, -0.0208281400000000 ]  - [  -0.0167530600000000,  0.0044714500000000, -0.0113167400000000 ]  - [   0.0157387400000000,  0.0001480200000000,  0.0209339400000000 ]  - [   0.0157007000000000,  0.0000722200000000,  0.0209881500000000 ]  - [   0.0157007000000000, -0.0000722200000000,  0.0209881500000000 ]  - [   0.0157387400000000, -0.0001480200000000,  0.0209339400000000 ]  - [   0.0159159900000000, -0.0000787700000000,  0.0209626700000000 ]  - [   0.0157855600000000,  0.0000442000000000,  0.0210727100000000 ]  - [   0.0157855600000000, -0.0000442000000000,  0.0210727100000000 ]  - [   0.0159159900000000,  0.0000787700000000,  0.0209626700000000 ]  - [   0.0158013600000000, -0.0000265200000000,  0.0209209500000000 ]  - [   0.0157945600000000,  0.0000516100000000,  0.0208270000000000 ]  - [   0.0157945600000000, -0.0000516100000000,  0.0208270000000000 ]  - [   0.0158013600000000,  0.0000265200000000,  0.0209209500000000 ]  - [  -0.0156836300000000,  0.0000000000000000, -0.0218892400000000 ]  - [  -0.0159897900000000, -0.0001889200000000, -0.0211895400000000 ]  - [  -0.0157586500000000,  0.0000000000000000, -0.0209580000000000 ]  - [  -0.0159897900000000,  0.0001889200000000, -0.0211895400000000 ]  - [  -0.0157322700000000,  0.0000000000000000, -0.0211869000000000 ]  - [  -0.0157467600000000, -0.0000395500000000, -0.0211734600000000 ]  - [  -0.0157750800000000,  0.0000000000000000, -0.0212818900000000 ]  - [  -0.0157467600000000,  0.0000395500000000, -0.0211734600000000 ]  - [  -0.0152823400000000,  0.0000000000000000, -0.0210784400000000 ]  - [  -0.0157539300000000, -0.0001124800000000, -0.0208678900000000 ]  - [  -0.0157724500000000,  0.0000000000000000, -0.0209020900000000 ]  - [  -0.0157539300000000,  0.0001124800000000, -0.0208678900000000 ]  - [   0.0808050200000000,  0.0000000000000000, -0.1353574000000000 ]  - [   0.0127987700000000, -0.0066145600000000,  0.0163085800000000 ]  - [   0.0109169500000000,  0.0000000000000000,  0.0164769000000000 ]  - [   0.0127987700000000,  0.0066145600000000,  0.0163085800000000 ]  - [   0.0111579600000000,  0.0000000000000000,  0.0168876400000000 ]  - [   0.0111215200000000,  0.0002504100000000,  0.0173279800000000 ]  - [   0.0111292600000000,  0.0000000000000000,  0.0170858200000000 ]  - [   0.0111215200000000, -0.0002504100000000,  0.0173279800000000 ]  - [   0.0112313700000000,  0.0000000000000000,  0.0169286800000000 ]  - [   0.0111792100000000, -0.0002048800000000,  0.0173577000000000 ]  - [   0.0110905200000000,  0.0000000000000000,  0.0170653300000000 ]  - [   0.0111792100000000,  0.0002048800000000,  0.0173577000000000 ]  - [  -0.0160941500000000,  0.0043543000000000, -0.0090380100000000 ]  - [  -0.0112104900000000, -0.0000968000000000, -0.0165760100000000 ]  - [  -0.0112104900000000,  0.0000968000000000, -0.0165760100000000 ]  - [  -0.0160941500000000, -0.0043543000000000, -0.0090380100000000 ]  - [  -0.0111008800000000,  0.0000334400000000, -0.0169898500000000 ]  - [  -0.0110941800000000,  0.0000139200000000, -0.0170355900000000 ]  - [  -0.0110941800000000, -0.0000139200000000, -0.0170355900000000 ]  - [  -0.0111008800000000, -0.0000334400000000, -0.0169898500000000 ]  - [  -0.0131963300000000, -0.0027468900000000, -0.0138168700000000 ]  - [  -0.0110904400000000,  0.0001325500000000, -0.0171127900000000 ]  - [  -0.0110904400000000, -0.0001325500000000, -0.0171127900000000 ]  - [  -0.0131963300000000,  0.0027468900000000, -0.0138168700000000 ]  - [   0.0110883000000000, -0.0001875000000000,  0.0171312000000000 ]  - [   0.0111552400000000,  0.0000420400000000,  0.0170120900000000 ]  - [   0.0111552400000000, -0.0000420400000000,  0.0170120900000000 ]  - [   0.0110883000000000,  0.0001875000000000,  0.0171312000000000 ]  - [   0.0110599200000000,  0.0001409000000000,  0.0172079500000000 ]  - [   0.0110816900000000,  0.0001622100000000,  0.0173252000000000 ]  - [   0.0110816900000000, -0.0001622100000000,  0.0173252000000000 ]  - [   0.0110599200000000, -0.0001409000000000,  0.0172079500000000 ]  - [   0.0109584800000000, -0.0000397800000000,  0.0171540100000000 ]  - [   0.0109626000000000,  0.0001455400000000,  0.0172620800000000 ]  - [   0.0109626000000000, -0.0001455400000000,  0.0172620800000000 ]  - [   0.0109584800000000,  0.0000397800000000,  0.0171540100000000 ]  - [  -0.0107278400000000,  0.0000000000000000, -0.0166393200000000 ]  - [  -0.0110976400000000, -0.0001737600000000, -0.0172472900000000 ]  - [  -0.0110870200000000,  0.0000000000000000, -0.0170936600000000 ]  - [  -0.0110976400000000,  0.0001737600000000, -0.0172472900000000 ]  - [  -0.0110812000000000,  0.0000000000000000, -0.0169624500000000 ]  - [  -0.0110718900000000,  0.0000686100000000, -0.0170431600000000 ]  - [  -0.0111365200000000,  0.0000000000000000, -0.0169518300000000 ]  - [  -0.0110718900000000, -0.0000686100000000, -0.0170431600000000 ]  - [  -0.0113206200000000,  0.0000000000000000, -0.0169550600000000 ]  - [  -0.0110278100000000, -0.0000264000000000, -0.0170406900000000 ]  - [  -0.0111915500000000,  0.0000000000000000, -0.0169803300000000 ]  - [  -0.0110278100000000,  0.0000264000000000, -0.0170406900000000 ]  - [   0.0084906400000000,  0.0236497200000000,  0.0328224800000000 ]  - [   0.0084967900000000,  0.0007816500000000,  0.0012335300000000 ]  - [   0.0084967900000000, -0.0007816500000000,  0.0012335300000000 ]  - [   0.0084906400000000, -0.0236497200000000,  0.0328224800000000 ]  - [   0.0084162100000000,  0.0000687900000000,  0.0013165300000000 ]  - [   0.0084053400000000,  0.0000203700000000,  0.0012511100000000 ]  - [   0.0084053400000000, -0.0000203700000000,  0.0012511100000000 ]  - [   0.0084162100000000, -0.0000687900000000,  0.0013165300000000 ]  - [   0.0077860200000000, -0.0001199900000000,  0.0016274800000000 ]  - [   0.0083894500000000, -0.0000350300000000,  0.0012412400000000 ]  - [   0.0083894500000000,  0.0000350300000000,  0.0012412400000000 ]  - [   0.0077860200000000,  0.0001199900000000,  0.0016274800000000 ]  - [  -0.0513174200000000,  0.0000000000000000,  0.0367396500000000 ]  - [  -0.0088836400000000,  0.0006081900000000, -0.0014311700000000 ]  - [  -0.0083973400000000,  0.0000000000000000, -0.0011628900000000 ]  - [  -0.0088836400000000, -0.0006081900000000, -0.0014311700000000 ]  - [  -0.0085418800000000,  0.0000000000000000, -0.0010108400000000 ]  - [  -0.0084721100000000,  0.0000393900000000, -0.0011436500000000 ]  - [  -0.0084874000000000,  0.0000000000000000, -0.0011821000000000 ]  - [  -0.0084721100000000, -0.0000393900000000, -0.0011436500000000 ]  - [  -0.0080792400000000,  0.0000000000000000, -0.0004686300000000 ]  - [  -0.0085446100000000, -0.0004460000000000, -0.0007432500000000 ]  - [  -0.0083871200000000,  0.0000000000000000, -0.0010147600000000 ]  - [  -0.0085446100000000,  0.0004460000000000, -0.0007432500000000 ]  - [   0.0073194500000000,  0.0000000000000000,  0.0008783300000000 ]  - [   0.0085214800000000,  0.0001320800000000,  0.0011204100000000 ]  - [   0.0084697400000000,  0.0000000000000000,  0.0011917100000000 ]  - [   0.0085214800000000, -0.0001320800000000,  0.0011204100000000 ]  - [   0.0084831600000000,  0.0000000000000000,  0.0012963300000000 ]  - [   0.0084687800000000, -0.0000106900000000,  0.0012684800000000 ]  - [   0.0084580000000000,  0.0000000000000000,  0.0011334900000000 ]  - [   0.0084687800000000,  0.0000106900000000,  0.0012684800000000 ]  - [   0.0085596400000000,  0.0000000000000000,  0.0012531100000000 ]  - [   0.0084939100000000,  0.0000173900000000,  0.0010681700000000 ]  - [   0.0083648600000000,  0.0000000000000000,  0.0009977900000000 ]  - [   0.0084939100000000, -0.0000173900000000,  0.0010681700000000 ]  - [  -0.0079788400000000,  0.0000855500000000, -0.0017884700000000 ]  - [  -0.0084786100000000,  0.0001232900000000, -0.0012869100000000 ]  - [  -0.0084786100000000, -0.0001232900000000, -0.0012869100000000 ]  - [  -0.0079788400000000, -0.0000855500000000, -0.0017884700000000 ]  - [  -0.0084949100000000,  0.0000127800000000, -0.0011183500000000 ]  - [  -0.0084930600000000, -0.0000813200000000, -0.0012494000000000 ]  - [  -0.0084930600000000,  0.0000813200000000, -0.0012494000000000 ]  - [  -0.0084949100000000, -0.0000127800000000, -0.0011183500000000 ]  - [  -0.0083804200000000,  0.0000083000000000, -0.0012357500000000 ]  - [  -0.0083864300000000, -0.0000234800000000, -0.0012376700000000 ]  - [  -0.0083864300000000,  0.0000234800000000, -0.0012376700000000 ]  - [  -0.0083804200000000, -0.0000083000000000, -0.0012357500000000 ]- atom:   49  displacement:    [   0.0046282778705144,  0.0000000000000000, -0.0088644821593428 ]  forces:  - [   0.0333209600000000,  0.0000000000000000,  0.0072182000000000 ]  - [   0.0157105600000000, -0.0003424900000000,  0.0209380800000000 ]  - [   0.0157526900000000,  0.0000000000000000,  0.0208809100000000 ]  - [   0.0157105600000000,  0.0003424900000000,  0.0209380800000000 ]  - [   0.0153769900000000,  0.0000000000000000,  0.0214934100000000 ]  - [   0.0150749000000000, -0.0004328400000000,  0.0209487800000000 ]  - [   0.0157462200000000,  0.0000000000000000,  0.0210410300000000 ]  - [   0.0150749000000000,  0.0004328400000000,  0.0209487800000000 ]  - [   0.0157561200000000,  0.0000000000000000,  0.0210604500000000 ]  - [   0.0157141300000000,  0.0000339200000000,  0.0212050100000000 ]  - [   0.0157819000000000,  0.0000000000000000,  0.0211278200000000 ]  - [   0.0157141300000000, -0.0000339200000000,  0.0212050100000000 ]  - [  -0.0166798200000000,  0.0008660700000000, -0.0194095000000000 ]  - [  -0.0157810400000000,  0.0000403200000000, -0.0210470300000000 ]  - [  -0.0157810400000000, -0.0000403200000000, -0.0210470300000000 ]  - [  -0.0166798200000000, -0.0008660700000000, -0.0194095000000000 ]  - [  -0.0158110600000000, -0.0000066900000000, -0.0208769300000000 ]  - [  -0.0157637000000000, -0.0000863600000000, -0.0208288900000000 ]  - [  -0.0157637000000000,  0.0000863600000000, -0.0208288900000000 ]  - [  -0.0158110600000000,  0.0000066900000000, -0.0208769300000000 ]  - [  -0.0148998200000000,  0.0047636700000000, -0.0309496300000000 ]  - [  -0.0157727500000000, -0.0013733100000000, -0.0211667100000000 ]  - [  -0.0157727500000000,  0.0013733100000000, -0.0211667100000000 ]  - [  -0.0148998200000000, -0.0047636700000000, -0.0309496300000000 ]  - [   0.0158155800000000, -0.0001490900000000,  0.0210885100000000 ]  - [   0.0158545300000000, -0.0000723100000000,  0.0210306800000000 ]  - [   0.0158545300000000,  0.0000723100000000,  0.0210306800000000 ]  - [   0.0158155800000000,  0.0001490900000000,  0.0210885100000000 ]  - [   0.0156408500000000,  0.0000788200000000,  0.0210580100000000 ]  - [   0.0157700300000000, -0.0000435100000000,  0.0209471900000000 ]  - [   0.0157700300000000,  0.0000435100000000,  0.0209471900000000 ]  - [   0.0156408500000000, -0.0000788200000000,  0.0210580100000000 ]  - [   0.0157540500000000,  0.0000259600000000,  0.0210989100000000 ]  - [   0.0157611100000000, -0.0000511000000000,  0.0211907500000000 ]  - [   0.0157611100000000,  0.0000511000000000,  0.0211907500000000 ]  - [   0.0157540500000000, -0.0000259600000000,  0.0210989100000000 ]  - [  -0.0158787700000000,  0.0000000000000000, -0.0201355300000000 ]  - [  -0.0155702200000000,  0.0001817200000000, -0.0208396900000000 ]  - [  -0.0157935300000000,  0.0000000000000000, -0.0210625800000000 ]  - [  -0.0155702200000000, -0.0001817200000000, -0.0208396900000000 ]  - [  -0.0158237600000000,  0.0000000000000000, -0.0208372400000000 ]  - [  -0.0158091300000000,  0.0000393500000000, -0.0208486700000000 ]  - [  -0.0157829900000000,  0.0000000000000000, -0.0207452900000000 ]  - [  -0.0158091300000000, -0.0000393500000000, -0.0208486700000000 ]  - [  -0.0162756400000000,  0.0000000000000000, -0.0209447300000000 ]  - [  -0.0158024000000000,  0.0001110200000000, -0.0211529100000000 ]  - [  -0.0157828300000000,  0.0000000000000000, -0.0211198300000000 ]  - [  -0.0158024000000000, -0.0001110200000000, -0.0211529100000000 ]  - [  -0.0580355600000000,  0.0000000000000000,  0.1682801300000000 ]  - [   0.0093643500000000,  0.0065168600000000,  0.0177677400000000 ]  - [   0.0112835700000000,  0.0000000000000000,  0.0176843400000000 ]  - [   0.0093643500000000, -0.0065168600000000,  0.0177677400000000 ]  - [   0.0110464400000000,  0.0000000000000000,  0.0172788100000000 ]  - [   0.0110836700000000, -0.0002485100000000,  0.0168475600000000 ]  - [   0.0110760900000000,  0.0000000000000000,  0.0170881300000000 ]  - [   0.0110836700000000,  0.0002485100000000,  0.0168475600000000 ]  - [   0.0109816700000000,  0.0000000000000000,  0.0172479700000000 ]  - [   0.0110314200000000,  0.0001985700000000,  0.0168201600000000 ]  - [   0.0111155100000000,  0.0000000000000000,  0.0171084300000000 ]  - [   0.0110314200000000, -0.0001985700000000,  0.0168201600000000 ]  - [  -0.0062035600000000, -0.0043085200000000, -0.0250920400000000 ]  - [  -0.0109967100000000,  0.0000862900000000, -0.0175950100000000 ]  - [  -0.0109967100000000, -0.0000862900000000, -0.0175950100000000 ]  - [  -0.0062035600000000,  0.0043085200000000, -0.0250920400000000 ]  - [  -0.0111035000000000, -0.0000333700000000, -0.0171864800000000 ]  - [  -0.0111108800000000, -0.0000143700000000, -0.0171418900000000 ]  - [  -0.0111108800000000,  0.0000143700000000, -0.0171418900000000 ]  - [  -0.0111035000000000,  0.0000333700000000, -0.0171864800000000 ]  - [  -0.0089328400000000,  0.0027221500000000, -0.0203415100000000 ]  - [  -0.0111128000000000, -0.0001294000000000, -0.0170636000000000 ]  - [  -0.0111128000000000,  0.0001294000000000, -0.0170636000000000 ]  - [  -0.0089328400000000, -0.0027221500000000, -0.0203415100000000 ]  - [   0.0111185700000000,  0.0001905700000000,  0.0170476600000000 ]  - [   0.0110503100000000, -0.0000417000000000,  0.0171658500000000 ]  - [   0.0110503100000000,  0.0000417000000000,  0.0171658500000000 ]  - [   0.0111185700000000, -0.0001905700000000,  0.0170476600000000 ]  - [   0.0111457000000000, -0.0001406200000000,  0.0169705000000000 ]  - [   0.0111228100000000, -0.0001596000000000,  0.0168529600000000 ]  - [   0.0111228100000000,  0.0001596000000000,  0.0168529600000000 ]  - [   0.0111457000000000,  0.0001406200000000,  0.0169705000000000 ]  - [   0.0112478400000000,  0.0000393600000000,  0.0170226700000000 ]  - [   0.0112430000000000, -0.0001464000000000,  0.0169147800000000 ]  - [   0.0112430000000000,  0.0001464000000000,  0.0169147800000000 ]  - [   0.0112478400000000, -0.0000393600000000,  0.0170226700000000 ]  - [  -0.0114743900000000,  0.0000000000000000, -0.0175300000000000 ]  - [  -0.0111035300000000,  0.0001741900000000, -0.0169247000000000 ]  - [  -0.0111177000000000,  0.0000000000000000, -0.0170829400000000 ]  - [  -0.0111035300000000, -0.0001741900000000, -0.0169247000000000 ]  - [  -0.0111238000000000,  0.0000000000000000, -0.0172098000000000 ]  - [  -0.0111328700000000, -0.0000671500000000, -0.0171297200000000 ]  - [  -0.0110684700000000,  0.0000000000000000, -0.0172221800000000 ]  - [  -0.0111328700000000,  0.0000671500000000, -0.0171297200000000 ]  - [  -0.0108839600000000,  0.0000000000000000, -0.0172197100000000 ]  - [  -0.0111777900000000,  0.0000266900000000, -0.0171339300000000 ]  - [  -0.0110137100000000,  0.0000000000000000, -0.0171917900000000 ]  - [  -0.0111777900000000, -0.0000266900000000, -0.0171339300000000 ]  - [   0.0088075300000000, -0.0229683600000000, -0.0298377900000000 ]  - [   0.0084344200000000, -0.0007541900000000,  0.0011975100000000 ]  - [   0.0084344200000000,  0.0007541900000000,  0.0011975100000000 ]  - [   0.0088075300000000,  0.0229683600000000, -0.0298377900000000 ]  - [   0.0085040300000000, -0.0000679000000000,  0.0010918400000000 ]  - [   0.0085163600000000, -0.0000201600000000,  0.0011560200000000 ]  - [   0.0085163600000000,  0.0000201600000000,  0.0011560200000000 ]  - [   0.0085040300000000,  0.0000679000000000,  0.0010918400000000 ]  - [   0.0091314500000000,  0.0001201900000000,  0.0007730700000000 ]  - [   0.0085284000000000,  0.0000347700000000,  0.0011666400000000 ]  - [   0.0085284000000000, -0.0000347700000000,  0.0011666400000000 ]  - [   0.0091314500000000, -0.0001201900000000,  0.0007730700000000 ]  - [   0.0321495000000000,  0.0000000000000000, -0.0378188900000000 ]  - [  -0.0080581300000000, -0.0005892700000000, -0.0009680300000000 ]  - [  -0.0085209700000000,  0.0000000000000000, -0.0012418500000000 ]  - [  -0.0080581300000000,  0.0005892700000000, -0.0009680300000000 ]  - [  -0.0083808300000000,  0.0000000000000000, -0.0013917000000000 ]  - [  -0.0084498200000000, -0.0000392400000000, -0.0012609700000000 ]  - [  -0.0084337800000000,  0.0000000000000000, -0.0012226500000000 ]  - [  -0.0084498200000000,  0.0000392400000000, -0.0012609700000000 ]  - [  -0.0088439900000000,  0.0000000000000000, -0.0019292600000000 ]  - [  -0.0083972600000000,  0.0004644700000000, -0.0016754000000000 ]  - [  -0.0085337900000000,  0.0000000000000000, -0.0013893400000000 ]  - [  -0.0083972600000000, -0.0004644700000000, -0.0016754000000000 ]  - [   0.0096240700000000,  0.0000000000000000,  0.0015155200000000 ]  - [   0.0084008900000000, -0.0001306800000000,  0.0012827200000000 ]  - [   0.0084522600000000,  0.0000000000000000,  0.0012132400000000 ]  - [   0.0084008900000000,  0.0001306800000000,  0.0012827200000000 ]  - [   0.0084384100000000,  0.0000000000000000,  0.0011102600000000 ]  - [   0.0084520100000000,  0.0000097600000000,  0.0011363500000000 ]  - [   0.0084645600000000,  0.0000000000000000,  0.0012733000000000 ]  - [   0.0084520100000000, -0.0000097600000000,  0.0011363500000000 ]  - [   0.0083704800000000,  0.0000000000000000,  0.0011603300000000 ]  - [   0.0084336500000000, -0.0000204300000000,  0.0013415800000000 ]  - [   0.0085548900000000,  0.0000000000000000,  0.0014047700000000 ]  - [   0.0084336500000000,  0.0000204300000000,  0.0013415800000000 ]  - [  -0.0089368400000000, -0.0000883200000000, -0.0006289100000000 ]  - [  -0.0084426700000000, -0.0001222300000000, -0.0011205000000000 ]  - [  -0.0084426700000000,  0.0001222300000000, -0.0011205000000000 ]  - [  -0.0089368400000000,  0.0000883200000000, -0.0006289100000000 ]  - [  -0.0084246600000000, -0.0000121600000000, -0.0012890400000000 ]  - [  -0.0084270700000000,  0.0000791500000000, -0.0011585100000000 ]  - [  -0.0084270700000000, -0.0000791500000000, -0.0011585100000000 ]  - [  -0.0084246600000000,  0.0000121600000000, -0.0012890400000000 ]  - [  -0.0085404200000000, -0.0000077700000000, -0.0011694900000000 ]  - [  -0.0085327300000000,  0.0000231400000000, -0.0011699200000000 ]  - [  -0.0085327300000000, -0.0000231400000000, -0.0011699200000000 ]  - [  -0.0085404200000000,  0.0000077700000000, -0.0011694900000000 ]- atom:   97  displacement:    [   0.0099948830452462,  0.0000000000000000, -0.0003198638958201 ]  forces:  - [   0.0161182500000000, -0.0003866500000000,  0.0194176900000000 ]  - [   0.0161182500000000,  0.0003866500000000,  0.0194176900000000 ]  - [   0.0158275600000000, -0.0000262600000000,  0.0209562800000000 ]  - [   0.0158275600000000,  0.0000262600000000,  0.0209562800000000 ]  - [   0.0154821300000000,  0.0008908000000000,  0.0200070500000000 ]  - [   0.0154821300000000, -0.0008908000000000,  0.0200070500000000 ]  - [   0.0159214000000000,  0.0006026300000000,  0.0217357900000000 ]  - [   0.0159214000000000, -0.0006026300000000,  0.0217357900000000 ]  - [   0.0157399500000000,  0.0000047400000000,  0.0210329700000000 ]  - [   0.0157399500000000, -0.0000047400000000,  0.0210329700000000 ]  - [   0.0157484600000000, -0.0000007800000000,  0.0209900300000000 ]  - [   0.0157484600000000,  0.0000007800000000,  0.0209900300000000 ]  - [  -0.0116484000000000,  0.0000000000000000, -0.0260059400000000 ]  - [  -0.0156534200000000, -0.0000110200000000, -0.0209302700000000 ]  - [  -0.0157517400000000,  0.0000000000000000, -0.0209627900000000 ]  - [  -0.0156534200000000,  0.0000110200000000, -0.0209302700000000 ]  - [  -0.0158278600000000,  0.0000000000000000, -0.0209448800000000 ]  - [  -0.0158119100000000, -0.0000069000000000, -0.0210139300000000 ]  - [  -0.0158172300000000,  0.0000000000000000, -0.0209421400000000 ]  - [  -0.0158119100000000,  0.0000069000000000, -0.0210139300000000 ]  - [  -0.0153405000000000,  0.0000000000000000, -0.0191784400000000 ]  - [  -0.0179352500000000, -0.0035408700000000, -0.0180509800000000 ]  - [  -0.0158955800000000,  0.0000000000000000, -0.0213064100000000 ]  - [  -0.0179352500000000,  0.0035408700000000, -0.0180509800000000 ]  - [   0.0160354600000000,  0.0000000000000000,  0.0208723100000000 ]  - [   0.0155970300000000,  0.0001941300000000,  0.0207937100000000 ]  - [   0.0157226400000000,  0.0000000000000000,  0.0209351300000000 ]  - [   0.0155970300000000, -0.0001941300000000,  0.0207937100000000 ]  - [   0.0159958000000000,  0.0000000000000000,  0.0210701000000000 ]  - [   0.0158557600000000, -0.0004921100000000,  0.0205988900000000 ]  - [   0.0157836000000000,  0.0000000000000000,  0.0208930400000000 ]  - [   0.0158557600000000,  0.0004921100000000,  0.0205988900000000 ]  - [   0.0157799100000000,  0.0000000000000000,  0.0210223100000000 ]  - [   0.0157715400000000, -0.0000357600000000,  0.0210599300000000 ]  - [   0.0157995900000000,  0.0000000000000000,  0.0209481000000000 ]  - [   0.0157715400000000,  0.0000357600000000,  0.0210599300000000 ]  - [  -0.0157692700000000, -0.0005159500000000, -0.0204163000000000 ]  - [  -0.0157692700000000,  0.0005159500000000, -0.0204163000000000 ]  - [  -0.0157726900000000, -0.0000377500000000, -0.0208648100000000 ]  - [  -0.0157726900000000,  0.0000377500000000, -0.0208648100000000 ]  - [  -0.0157513700000000, -0.0000173300000000, -0.0210253400000000 ]  - [  -0.0157513700000000,  0.0000173300000000, -0.0210253400000000 ]  - [  -0.0157721800000000,  0.0000411000000000, -0.0210603400000000 ]  - [  -0.0157721800000000, -0.0000411000000000, -0.0210603400000000 ]  - [  -0.0157746100000000, -0.0000353400000000, -0.0210641900000000 ]  - [  -0.0157746100000000,  0.0000353400000000, -0.0210641900000000 ]  - [  -0.0157530200000000, -0.0000140800000000, -0.0210120100000000 ]  - [  -0.0157530200000000,  0.0000140800000000, -0.0210120100000000 ]  - [   0.0266949600000000,  0.0049787700000000,  0.0239192700000000 ]  - [   0.0266949600000000, -0.0049787700000000,  0.0239192700000000 ]  - [   0.0112268700000000,  0.0007134100000000,  0.0171872900000000 ]  - [   0.0112268700000000, -0.0007134100000000,  0.0171872900000000 ]  - [   0.0114368500000000,  0.0001088200000000,  0.0164845200000000 ]  - [   0.0114368500000000, -0.0001088200000000,  0.0164845200000000 ]  - [   0.0111698000000000, -0.0000632200000000,  0.0170422200000000 ]  - [   0.0111698000000000,  0.0000632200000000,  0.0170422200000000 ]  - [   0.0111483300000000, -0.0000488000000000,  0.0170577600000000 ]  - [   0.0111483300000000,  0.0000488000000000,  0.0170577600000000 ]  - [   0.0111905700000000, -0.0000471100000000,  0.0170671800000000 ]  - [   0.0111905700000000,  0.0000471100000000,  0.0170671800000000 ]  - [   0.0375838800000000,  0.0000000000000000, -0.0388684000000000 ]  - [  -0.0114333300000000, -0.0004826100000000, -0.0177194400000000 ]  - [  -0.0110200900000000,  0.0000000000000000, -0.0169766600000000 ]  - [  -0.0114333300000000,  0.0004826100000000, -0.0177194400000000 ]  - [  -0.0109658100000000,  0.0000000000000000, -0.0171151800000000 ]  - [  -0.0109825500000000,  0.0000898500000000, -0.0170405200000000 ]  - [  -0.0110801600000000,  0.0000000000000000, -0.0171073700000000 ]  - [  -0.0109825500000000, -0.0000898500000000, -0.0170405200000000 ]  - [  -0.0113054800000000,  0.0000000000000000, -0.0167927500000000 ]  - [  -0.0108929500000000, -0.0000273800000000, -0.0170778300000000 ]  - [  -0.0111095800000000,  0.0000000000000000, -0.0170166200000000 ]  - [  -0.0108929500000000,  0.0000273800000000, -0.0170778300000000 ]  - [   0.0115225900000000,  0.0000000000000000,  0.0160030100000000 ]  - [   0.0111440600000000, -0.0001190300000000,  0.0171814700000000 ]  - [   0.0111071900000000,  0.0000000000000000,  0.0171023200000000 ]  - [   0.0111440600000000,  0.0001190300000000,  0.0171814700000000 ]  - [   0.0110996700000000,  0.0000000000000000,  0.0171920200000000 ]  - [   0.0110637100000000,  0.0002741300000000,  0.0171074000000000 ]  - [   0.0111181400000000,  0.0000000000000000,  0.0169940500000000 ]  - [   0.0110637100000000, -0.0002741300000000,  0.0171074000000000 ]  - [   0.0111325300000000,  0.0000000000000000,  0.0171255600000000 ]  - [   0.0110835600000000, -0.0000206900000000,  0.0170859300000000 ]  - [   0.0111950800000000,  0.0000000000000000,  0.0171348200000000 ]  - [   0.0110835600000000,  0.0000206900000000,  0.0170859300000000 ]  - [  -0.0118959900000000, -0.0002896100000000, -0.0169326100000000 ]  - [  -0.0118959900000000,  0.0002896100000000, -0.0169326100000000 ]  - [  -0.0111666100000000,  0.0000696600000000, -0.0171367700000000 ]  - [  -0.0111666100000000, -0.0000696600000000, -0.0171367700000000 ]  - [  -0.0110613000000000, -0.0000411200000000, -0.0171077400000000 ]  - [  -0.0110613000000000,  0.0000411200000000, -0.0171077400000000 ]  - [  -0.0110189700000000,  0.0001118600000000, -0.0170786300000000 ]  - [  -0.0110189700000000, -0.0001118600000000, -0.0170786300000000 ]  - [  -0.0110651100000000,  0.0000657500000000, -0.0169767100000000 ]  - [  -0.0110651100000000, -0.0000657500000000, -0.0169767100000000 ]  - [  -0.0110744600000000, -0.0000924800000000, -0.0169896200000000 ]  - [  -0.0110744600000000,  0.0000924800000000, -0.0169896200000000 ]  - [  -0.0953571100000000,  0.0000000000000000,  0.0054324700000000 ]  - [   0.0074355400000000, -0.0003686400000000,  0.0008187500000000 ]  - [   0.0082047500000000,  0.0000000000000000,  0.0010816700000000 ]  - [   0.0074355400000000,  0.0003686400000000,  0.0008187500000000 ]  - [   0.0085402500000000,  0.0000000000000000,  0.0011807700000000 ]  - [   0.0083381500000000, -0.0000022500000000,  0.0011518400000000 ]  - [   0.0084996100000000,  0.0000000000000000,  0.0010964900000000 ]  - [   0.0083381500000000,  0.0000022500000000,  0.0011518400000000 ]  - [   0.0085402700000000,  0.0000000000000000,  0.0011776500000000 ]  - [   0.0083375100000000,  0.0000401500000000,  0.0011645200000000 ]  - [   0.0085037700000000,  0.0000000000000000,  0.0012350500000000 ]  - [   0.0083375100000000, -0.0000401500000000,  0.0011645200000000 ]  - [   0.0014317800000000,  0.0096920000000000,  0.0030187200000000 ]  - [   0.0014317800000000, -0.0096920000000000,  0.0030187200000000 ]  - [  -0.0083712300000000, -0.0002320800000000, -0.0009290300000000 ]  - [  -0.0083712300000000,  0.0002320800000000, -0.0009290300000000 ]  - [  -0.0086091700000000, -0.0000021700000000, -0.0011553100000000 ]  - [  -0.0086091700000000,  0.0000021700000000, -0.0011553100000000 ]  - [  -0.0084482000000000, -0.0000102300000000, -0.0012377400000000 ]  - [  -0.0084482000000000,  0.0000102300000000, -0.0012377400000000 ]  - [  -0.0084955400000000,  0.0000268700000000, -0.0011872900000000 ]  - [  -0.0084955400000000, -0.0000268700000000, -0.0011872900000000 ]  - [  -0.0085329900000000,  0.0000537200000000, -0.0012723700000000 ]  - [  -0.0085329900000000, -0.0000537200000000, -0.0012723700000000 ]  - [   0.0092329200000000, -0.0001004600000000,  0.0010490100000000 ]  - [   0.0092329200000000,  0.0001004600000000,  0.0010490100000000 ]  - [   0.0086115600000000,  0.0000273700000000,  0.0011942500000000 ]  - [   0.0086115600000000, -0.0000273700000000,  0.0011942500000000 ]  - [   0.0084571300000000,  0.0000103500000000,  0.0013999900000000 ]  - [   0.0084571300000000, -0.0000103500000000,  0.0013999900000000 ]  - [   0.0084282500000000,  0.0000315600000000,  0.0013460100000000 ]  - [   0.0084282500000000, -0.0000315600000000,  0.0013460100000000 ]  - [   0.0084529600000000,  0.0000180100000000,  0.0012341100000000 ]  - [   0.0084529600000000, -0.0000180100000000,  0.0012341100000000 ]  - [   0.0084264800000000, -0.0001045200000000,  0.0012694000000000 ]  - [   0.0084264800000000,  0.0001045200000000,  0.0012694000000000 ]  - [  -0.0038659000000000,  0.0000000000000000, -0.0017067000000000 ]  - [  -0.0085175400000000,  0.0003532500000000, -0.0014400300000000 ]  - [  -0.0084781100000000,  0.0000000000000000, -0.0012638200000000 ]  - [  -0.0085175400000000, -0.0003532500000000, -0.0014400300000000 ]  - [  -0.0086818200000000,  0.0000000000000000, -0.0011980300000000 ]  - [  -0.0085904300000000, -0.0000329000000000, -0.0012503600000000 ]  - [  -0.0086285800000000,  0.0000000000000000, -0.0012050000000000 ]  - [  -0.0085904300000000,  0.0000329000000000, -0.0012503600000000 ]  - [  -0.0084545200000000,  0.0000000000000000, -0.0011860900000000 ]  - [  -0.0084387100000000,  0.0000010800000000, -0.0011611600000000 ]  - [  -0.0085047300000000,  0.0000000000000000, -0.0012009100000000 ]  - [  -0.0084387100000000, -0.0000010800000000, -0.0011611600000000 ]- atom:   97  displacement:    [  -0.0099948830452462,  0.0000000000000000,  0.0003198638958201 ]  forces:  - [   0.0154353500000000,  0.0003775900000000,  0.0225947400000000 ]  - [   0.0154353500000000, -0.0003775900000000,  0.0225947400000000 ]  - [   0.0157268000000000,  0.0000256100000000,  0.0210676400000000 ]  - [   0.0157268000000000, -0.0000256100000000,  0.0210676400000000 ]  - [   0.0160815500000000, -0.0009223700000000,  0.0220445200000000 ]  - [   0.0160815500000000,  0.0009223700000000,  0.0220445200000000 ]  - [   0.0156313100000000, -0.0006097300000000,  0.0202802700000000 ]  - [   0.0156313100000000,  0.0006097300000000,  0.0202802700000000 ]  - [   0.0158154300000000, -0.0000048100000000,  0.0209875800000000 ]  - [   0.0158154300000000,  0.0000048100000000,  0.0209875800000000 ]  - [   0.0158072000000000,  0.0000012400000000,  0.0210319900000000 ]  - [   0.0158072000000000, -0.0000012400000000,  0.0210319900000000 ]  - [  -0.0199838800000000,  0.0000000000000000, -0.0159258100000000 ]  - [  -0.0159054800000000,  0.0000125200000000, -0.0210876700000000 ]  - [  -0.0158039800000000,  0.0000000000000000, -0.0210560100000000 ]  - [  -0.0159054800000000, -0.0000125200000000, -0.0210876700000000 ]  - [  -0.0157257700000000,  0.0000000000000000, -0.0210745400000000 ]  - [  -0.0157418000000000,  0.0000068300000000, -0.0210056000000000 ]  - [  -0.0157373600000000,  0.0000000000000000, -0.0210773800000000 ]  - [  -0.0157418000000000, -0.0000068300000000, -0.0210056000000000 ]  - [  -0.0161952200000000,  0.0000000000000000, -0.0228409100000000 ]  - [  -0.0136138600000000,  0.0035691700000000, -0.0239912500000000 ]  - [  -0.0156603200000000,  0.0000000000000000, -0.0207233600000000 ]  - [  -0.0136138600000000, -0.0035691700000000, -0.0239912500000000 ]  - [   0.0155281200000000,  0.0000000000000000,  0.0211444900000000 ]  - [   0.0159584900000000, -0.0001957700000000,  0.0212291300000000 ]  - [   0.0158319100000000,  0.0000000000000000,  0.0210847300000000 ]  - [   0.0159584900000000,  0.0001957700000000,  0.0212291300000000 ]  - [   0.0155604700000000,  0.0000000000000000,  0.0209500400000000 ]  - [   0.0156991000000000,  0.0004806100000000,  0.0214105500000000 ]  - [   0.0157708000000000,  0.0000000000000000,  0.0211241900000000 ]  - [   0.0156991000000000, -0.0004806100000000,  0.0214105500000000 ]  - [   0.0157733400000000,  0.0000000000000000,  0.0209958600000000 ]  - [   0.0157828200000000,  0.0000361700000000,  0.0209581800000000 ]  - [   0.0157539200000000,  0.0000000000000000,  0.0210719300000000 ]  - [   0.0157828200000000, -0.0000361700000000,  0.0209581800000000 ]  - [  -0.0157840800000000,  0.0005111200000000, -0.0215992400000000 ]  - [  -0.0157840800000000, -0.0005111200000000, -0.0215992400000000 ]  - [  -0.0157827200000000,  0.0000379800000000, -0.0211565700000000 ]  - [  -0.0157827200000000, -0.0000379800000000, -0.0211565700000000 ]  - [  -0.0158027500000000,  0.0000181600000000, -0.0209981300000000 ]  - [  -0.0158027500000000, -0.0000181600000000, -0.0209981300000000 ]  - [  -0.0157828600000000, -0.0000404700000000, -0.0209628600000000 ]  - [  -0.0157828600000000,  0.0000404700000000, -0.0209628600000000 ]  - [  -0.0157796400000000,  0.0000333600000000, -0.0209594900000000 ]  - [  -0.0157796400000000, -0.0000333600000000, -0.0209594900000000 ]  - [  -0.0158022600000000,  0.0000137500000000, -0.0210092100000000 ]  - [  -0.0158022600000000, -0.0000137500000000, -0.0210092100000000 ]  - [  -0.0044789200000000, -0.0049817500000000,  0.0102684700000000 ]  - [  -0.0044789200000000,  0.0049817500000000,  0.0102684700000000 ]  - [   0.0109764200000000, -0.0007169100000000,  0.0169877900000000 ]  - [   0.0109764200000000,  0.0007169100000000,  0.0169877900000000 ]  - [   0.0107665300000000, -0.0001027900000000,  0.0176842400000000 ]  - [   0.0107665300000000,  0.0001027900000000,  0.0176842400000000 ]  - [   0.0110346500000000,  0.0000640300000000,  0.0171313900000000 ]  - [   0.0110346500000000, -0.0000640300000000,  0.0171313900000000 ]  - [   0.0110549700000000,  0.0000486800000000,  0.0171170700000000 ]  - [   0.0110549700000000, -0.0000486800000000,  0.0171170700000000 ]  - [   0.0110134700000000,  0.0000477700000000,  0.0171061900000000 ]  - [   0.0110134700000000, -0.0000477700000000,  0.0171061900000000 ]  - [  -0.0618525100000000,  0.0000000000000000,  0.0060152500000000 ]  - [  -0.0107566900000000,  0.0004826600000000, -0.0164519700000000 ]  - [  -0.0111871600000000,  0.0000000000000000, -0.0172014700000000 ]  - [  -0.0107566900000000, -0.0004826600000000, -0.0164519700000000 ]  - [  -0.0112405100000000,  0.0000000000000000, -0.0170612600000000 ]  - [  -0.0112241600000000, -0.0000915800000000, -0.0171378300000000 ]  - [  -0.0111266400000000,  0.0000000000000000, -0.0170697200000000 ]  - [  -0.0112241600000000,  0.0000915800000000, -0.0171378300000000 ]  - [  -0.0108971000000000,  0.0000000000000000, -0.0173883900000000 ]  - [  -0.0113149600000000,  0.0000271200000000, -0.0170973100000000 ]  - [  -0.0110974400000000,  0.0000000000000000, -0.0171608100000000 ]  - [  -0.0113149600000000, -0.0000271200000000, -0.0170973100000000 ]  - [   0.0106958100000000,  0.0000000000000000,  0.0181468400000000 ]  - [   0.0110609900000000,  0.0001172000000000,  0.0169973200000000 ]  - [   0.0110991700000000,  0.0000000000000000,  0.0170758800000000 ]  - [   0.0110609900000000, -0.0001172000000000,  0.0169973200000000 ]  - [   0.0111058700000000,  0.0000000000000000,  0.0169857800000000 ]  - [   0.0111416100000000, -0.0002747500000000,  0.0170704100000000 ]  - [   0.0110871000000000,  0.0000000000000000,  0.0171801700000000 ]  - [   0.0111416100000000,  0.0002747500000000,  0.0170704100000000 ]  - [   0.0110733900000000,  0.0000000000000000,  0.0170518800000000 ]  - [   0.0111223500000000,  0.0000202400000000,  0.0170909900000000 ]  - [   0.0110108100000000,  0.0000000000000000,  0.0170425400000000 ]  - [   0.0111223500000000, -0.0000202400000000,  0.0170909900000000 ]  - [  -0.0103193900000000,  0.0002794900000000, -0.0172329600000000 ]  - [  -0.0103193900000000, -0.0002794900000000, -0.0172329600000000 ]  - [  -0.0110391500000000, -0.0000682200000000, -0.0170367700000000 ]  - [  -0.0110391500000000,  0.0000682200000000, -0.0170367700000000 ]  - [  -0.0111447500000000,  0.0000417400000000, -0.0170649300000000 ]  - [  -0.0111447500000000, -0.0000417400000000, -0.0170649300000000 ]  - [  -0.0111864300000000, -0.0001140900000000, -0.0170950300000000 ]  - [  -0.0111864300000000,  0.0001140900000000, -0.0170950300000000 ]  - [  -0.0111397600000000, -0.0000644500000000, -0.0171961000000000 ]  - [  -0.0111397600000000,  0.0000644500000000, -0.0171961000000000 ]  - [  -0.0111302600000000,  0.0000940900000000, -0.0171852800000000 ]  - [  -0.0111302600000000, -0.0000940900000000, -0.0171852800000000 ]  - [   0.1145995000000000,  0.0000000000000000, -0.0042264100000000 ]  - [   0.0094895300000000,  0.0003378000000000,  0.0015760300000000 ]  - [   0.0087148100000000,  0.0000000000000000,  0.0013217600000000 ]  - [   0.0094895300000000, -0.0003378000000000,  0.0015760300000000 ]  - [   0.0083779400000000,  0.0000000000000000,  0.0012268200000000 ]  - [   0.0085833600000000,  0.0000028100000000,  0.0012554800000000 ]  - [   0.0084196200000000,  0.0000000000000000,  0.0013108300000000 ]  - [   0.0085833600000000, -0.0000028100000000,  0.0012554800000000 ]  - [   0.0083782100000000,  0.0000000000000000,  0.0012310700000000 ]  - [   0.0085818300000000, -0.0000410800000000,  0.0012428200000000 ]  - [   0.0084149100000000,  0.0000000000000000,  0.0011717100000000 ]  - [   0.0085818300000000,  0.0000410800000000,  0.0012428200000000 ]  - [  -0.0185572600000000, -0.0098955200000000, -0.0055085100000000 ]  - [  -0.0185572600000000,  0.0098955200000000, -0.0055085100000000 ]  - [  -0.0085463000000000,  0.0002352800000000, -0.0014808700000000 ]  - [  -0.0085463000000000, -0.0002352800000000, -0.0014808700000000 ]  - [  -0.0083103700000000,  0.0000032000000000, -0.0012487600000000 ]  - [  -0.0083103700000000, -0.0000032000000000, -0.0012487600000000 ]  - [  -0.0084714700000000,  0.0000098400000000, -0.0011658700000000 ]  - [  -0.0084714700000000, -0.0000098400000000, -0.0011658700000000 ]  - [  -0.0084259200000000, -0.0000259000000000, -0.0012159200000000 ]  - [  -0.0084259200000000,  0.0000259000000000, -0.0012159200000000 ]  - [  -0.0083874800000000, -0.0000544500000000, -0.0011302700000000 ]  - [  -0.0083874800000000,  0.0000544500000000, -0.0011302700000000 ]  - [   0.0076880300000000,  0.0001001800000000,  0.0013590300000000 ]  - [   0.0076880300000000, -0.0001001800000000,  0.0013590300000000 ]  - [   0.0083095700000000, -0.0000261600000000,  0.0012106700000000 ]  - [   0.0083095700000000,  0.0000261600000000,  0.0012106700000000 ]  - [   0.0084626700000000, -0.0000101800000000,  0.0010047800000000 ]  - [   0.0084626700000000,  0.0000101800000000,  0.0010047800000000 ]  - [   0.0084928700000000, -0.0000294300000000,  0.0010611400000000 ]  - [   0.0084928700000000,  0.0000294300000000,  0.0010611400000000 ]  - [   0.0084691100000000, -0.0000186100000000,  0.0011709500000000 ]  - [   0.0084691100000000,  0.0000186100000000,  0.0011709500000000 ]  - [   0.0084960300000000,  0.0001031400000000,  0.0011372200000000 ]  - [   0.0084960300000000, -0.0001031400000000,  0.0011372200000000 ]  - [  -0.0129193600000000,  0.0000000000000000, -0.0007153300000000 ]  - [  -0.0084051800000000, -0.0003469200000000, -0.0009692500000000 ]  - [  -0.0084424200000000,  0.0000000000000000, -0.0011436600000000 ]  - [  -0.0084051800000000,  0.0003469200000000, -0.0009692500000000 ]  - [  -0.0082372300000000,  0.0000000000000000, -0.0012096300000000 ]  - [  -0.0083282300000000,  0.0000333200000000, -0.0011562100000000 ]  - [  -0.0082894900000000,  0.0000000000000000, -0.0012012700000000 ]  - [  -0.0083282300000000, -0.0000333200000000, -0.0011562100000000 ]  - [  -0.0084643600000000,  0.0000000000000000, -0.0012217500000000 ]  - [  -0.0084802400000000, -0.0000014300000000, -0.0012466300000000 ]  - [  -0.0084143300000000,  0.0000000000000000, -0.0012063400000000 ]  - [  -0.0084802400000000,  0.0000014300000000, -0.0012466300000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0142780200000000,  0.0002613000000000,  0.0220692800000000 ]  - [   0.0173018200000000,  0.0002580600000000,  0.0199383200000000 ]  - [   0.0158334300000000, -0.0000356500000000,  0.0211049500000000 ]  - [   0.0157245400000000, -0.0000359500000000,  0.0209181800000000 ]  - [   0.0160203200000000,  0.0013533700000000,  0.0193948700000000 ]  - [   0.0155288100000000,  0.0013521000000000,  0.0226380600000000 ]  - [   0.0157800500000000, -0.0005317900000000,  0.0207916500000000 ]  - [   0.0157766000000000, -0.0005326400000000,  0.0212323000000000 ]  - [   0.0157867500000000,  0.0000216000000000,  0.0209817800000000 ]  - [   0.0157683200000000,  0.0000219900000000,  0.0210414300000000 ]  - [   0.0157585500000000, -0.0000294500000000,  0.0210311600000000 ]  - [   0.0157977300000000, -0.0000295500000000,  0.0209930700000000 ]  - [  -0.0157923400000000, -0.0028128300000000, -0.0209914400000000 ]  - [  -0.0154212900000000,  0.0000787500000000, -0.0215554400000000 ]  - [  -0.0157766700000000, -0.0000021800000000, -0.0210108700000000 ]  - [  -0.0161289100000000,  0.0000783500000000, -0.0204699800000000 ]  - [  -0.0157773700000000,  0.0000105100000000, -0.0210090800000000 ]  - [  -0.0157565800000000,  0.0000071800000000, -0.0210407800000000 ]  - [  -0.0157779700000000, -0.0000318500000000, -0.0210100000000000 ]  - [  -0.0157984500000000,  0.0000072200000000, -0.0209781500000000 ]  - [  -0.0157812800000000, -0.0011543300000000, -0.0210116300000000 ]  - [  -0.0169959100000000,  0.0023247500000000, -0.0243011200000000 ]  - [  -0.0157783000000000, -0.0023267300000000, -0.0210030000000000 ]  - [  -0.0145806200000000,  0.0022549900000000, -0.0177904500000000 ]  - [   0.0157759000000000,  0.0000707300000000,  0.0210121100000000 ]  - [   0.0156576500000000, -0.0000485700000000,  0.0212401000000000 ]  - [   0.0157776200000000, -0.0000803900000000,  0.0210099100000000 ]  - [   0.0158948200000000, -0.0000496000000000,  0.0207794900000000 ]  - [   0.0157768700000000,  0.0001308100000000,  0.0210087300000000 ]  - [   0.0157915400000000,  0.0000504500000000,  0.0210841800000000 ]  - [   0.0157778800000000, -0.0001836300000000,  0.0210094800000000 ]  - [   0.0157634300000000,  0.0000490600000000,  0.0209356400000000 ]  - [   0.0157773000000000,  0.0000192900000000,  0.0210099600000000 ]  - [   0.0157653500000000, -0.0000018100000000,  0.0210302800000000 ]  - [   0.0157775700000000,  0.0000995800000000,  0.0210115700000000 ]  - [   0.0157903400000000, -0.0000021800000000,  0.0209895900000000 ]  - [  -0.0166588100000000,  0.0010898800000000, -0.0220509100000000 ]  - [  -0.0148728800000000,  0.0011014300000000, -0.0199421700000000 ]  - [  -0.0157579800000000, -0.0000322000000000, -0.0212177700000000 ]  - [  -0.0158002400000000, -0.0000303900000000, -0.0208110300000000 ]  - [  -0.0157550700000000, -0.0000496900000000, -0.0209673600000000 ]  - [  -0.0158008400000000, -0.0000484400000000, -0.0210546100000000 ]  - [  -0.0157585100000000,  0.0000700400000000, -0.0209556200000000 ]  - [  -0.0157973900000000,  0.0000700900000000, -0.0210674400000000 ]  - [  -0.0157626800000000,  0.0001355100000000, -0.0209355400000000 ]  - [  -0.0157927200000000,  0.0001360500000000, -0.0210867700000000 ]  - [  -0.0158270200000000, -0.0001022700000000, -0.0209763500000000 ]  - [  -0.0157283200000000, -0.0001024700000000, -0.0210469700000000 ]  - [   0.0226604300000000,  0.0373891400000000,  0.0488993000000000 ]  - [  -0.0009056700000000,  0.0384776700000000, -0.0160024500000000 ]  - [   0.0109127400000000,  0.0002138300000000,  0.0161097000000000 ]  - [   0.0112853100000000,  0.0001929900000000,  0.0180351100000000 ]  - [   0.0110455600000000,  0.0000579700000000,  0.0169194200000000 ]  - [   0.0111615300000000,  0.0000528600000000,  0.0172507100000000 ]  - [   0.0110933400000000,  0.0000382200000000,  0.0171205400000000 ]  - [   0.0111113900000000,  0.0000372000000000,  0.0170518000000000 ]  - [   0.0110519800000000, -0.0000228400000000,  0.0171378300000000 ]  - [   0.0111519100000000, -0.0000236800000000,  0.0170347700000000 ]  - [   0.0110472300000000,  0.0000324000000000,  0.0170351100000000 ]  - [   0.0111580100000000,  0.0000318500000000,  0.0171379000000000 ]  - [  -0.0110510000000000,  0.0107231300000000, -0.0171664500000000 ]  - [  -0.0111679800000000, -0.0001918000000000, -0.0164398800000000 ]  - [  -0.0111044000000000, -0.0001727200000000, -0.0170895700000000 ]  - [  -0.0110446500000000, -0.0002046600000000, -0.0177251800000000 ]  - [  -0.0111026500000000, -0.0000239300000000, -0.0170889500000000 ]  - [  -0.0111014800000000,  0.0000203000000000, -0.0170431500000000 ]  - [  -0.0111030000000000,  0.0000126200000000, -0.0170880700000000 ]  - [  -0.0111053300000000,  0.0000210900000000, -0.0171340300000000 ]  - [  -0.0111032600000000, -0.0004630700000000, -0.0170898700000000 ]  - [  -0.0108372700000000,  0.0002716000000000, -0.0174582400000000 ]  - [  -0.0111026100000000,  0.0000199800000000, -0.0170870700000000 ]  - [  -0.0113781500000000,  0.0002695700000000, -0.0167136300000000 ]  - [   0.0111019600000000,  0.0000844500000000,  0.0170873300000000 ]  - [   0.0110420300000000, -0.0000228400000000,  0.0169081000000000 ]  - [   0.0111023600000000, -0.0000262200000000,  0.0170885900000000 ]  - [   0.0111636800000000, -0.0000228500000000,  0.0172679800000000 ]  - [   0.0111048500000000, -0.0003465100000000,  0.0170911100000000 ]  - [   0.0111836900000000, -0.0002240600000000,  0.0171088000000000 ]  - [   0.0111027800000000,  0.0001776200000000,  0.0170889200000000 ]  - [   0.0110259000000000, -0.0002180300000000,  0.0170704100000000 ]  - [   0.0111029500000000,  0.0000272100000000,  0.0170882200000000 ]  - [   0.0110761800000000, -0.0000227400000000,  0.0170865700000000 ]  - [   0.0111030900000000, -0.0000501700000000,  0.0170876700000000 ]  - [   0.0111315500000000, -0.0000215400000000,  0.0170906000000000 ]  - [  -0.0113572700000000,  0.0000428300000000, -0.0173170200000000 ]  - [  -0.0108426500000000,  0.0000446200000000, -0.0168531500000000 ]  - [  -0.0111061000000000, -0.0000250400000000, -0.0169493100000000 ]  - [  -0.0110988300000000, -0.0000244200000000, -0.0172224800000000 ]  - [  -0.0110946800000000, -0.0000310200000000, -0.0170968500000000 ]  - [  -0.0111106300000000, -0.0000322100000000, -0.0170762200000000 ]  - [  -0.0110989400000000, -0.0000809000000000, -0.0171755200000000 ]  - [  -0.0111064600000000, -0.0000795500000000, -0.0169985600000000 ]  - [  -0.0110733900000000, -0.0000987000000000, -0.0170807200000000 ]  - [  -0.0111319600000000, -0.0000976000000000, -0.0170922800000000 ]  - [  -0.0111275000000000,  0.0001041300000000, -0.0171263800000000 ]  - [  -0.0110770300000000,  0.0001059700000000, -0.0170468900000000 ]  - [   0.0089639500000000, -0.1128176000000000,  0.0025395900000000 ]  - [   0.0088632900000000,  0.0088360600000000,  0.0026684300000000 ]  - [   0.0084622800000000,  0.0006991000000000,  0.0012074800000000 ]  - [   0.0080633400000000,  0.0086856000000000, -0.0002364200000000 ]  - [   0.0084588600000000,  0.0000009700000000,  0.0012014500000000 ]  - [   0.0084209100000000, -0.0000304900000000,  0.0012353000000000 ]  - [   0.0084593500000000,  0.0000382800000000,  0.0012034400000000 ]  - [   0.0085001700000000, -0.0000300800000000,  0.0011714300000000 ]  - [   0.0084592800000000,  0.0000013400000000,  0.0012038100000000 ]  - [   0.0084626400000000, -0.0000307000000000,  0.0011985300000000 ]  - [   0.0084591600000000,  0.0000380300000000,  0.0012027100000000 ]  - [   0.0084579200000000, -0.0000296100000000,  0.0012083700000000 ]  - [   0.0012176800000000,  0.0021303100000000, -0.0034300000000000 ]  - [  -0.0182354700000000,  0.0021088400000000,  0.0010477700000000 ]  - [  -0.0086920700000000,  0.0007719700000000, -0.0010898500000000 ]  - [  -0.0082317900000000,  0.0007713600000000, -0.0013109800000000 ]  - [  -0.0084632100000000, -0.0000745100000000, -0.0012118400000000 ]  - [  -0.0084574200000000, -0.0000752900000000, -0.0011936100000000 ]  - [  -0.0084682100000000,  0.0000364900000000, -0.0011493900000000 ]  - [  -0.0084516800000000,  0.0000370800000000, -0.0012542300000000 ]  - [  -0.0084293900000000,  0.0000317800000000, -0.0010712000000000 ]  - [  -0.0084906900000000,  0.0000312500000000, -0.0013330400000000 ]  - [  -0.0084036600000000, -0.0000611500000000, -0.0011154100000000 ]  - [  -0.0085173800000000, -0.0000587600000000, -0.0012896800000000 ]  - [   0.0085694500000000, -0.0001469300000000,  0.0014699900000000 ]  - [   0.0083516400000000, -0.0001484300000000,  0.0009351800000000 ]  - [   0.0084308400000000,  0.0001699200000000,  0.0011144300000000 ]  - [   0.0084899400000000,  0.0001698200000000,  0.0012890400000000 ]  - [   0.0084422000000000,  0.0000568900000000,  0.0012226700000000 ]  - [   0.0084774100000000,  0.0000577300000000,  0.0011804500000000 ]  - [   0.0085696800000000,  0.0000769900000000,  0.0013789400000000 ]  - [   0.0083507200000000,  0.0000765300000000,  0.0010257300000000 ]  - [   0.0084521800000000,  0.0000572300000000,  0.0012624700000000 ]  - [   0.0084689200000000,  0.0000582400000000,  0.0011418700000000 ]  - [   0.0084243100000000,  0.0000763300000000,  0.0010008700000000 ]  - [   0.0084986100000000,  0.0000768400000000,  0.0014077900000000 ]  - [  -0.0084700400000000, -0.0008051600000000, -0.0012023300000000 ]  - [  -0.0081083600000000,  0.0001269200000000, -0.0012060100000000 ]  - [  -0.0084596100000000,  0.0002413200000000, -0.0012033600000000 ]  - [  -0.0088085000000000,  0.0001273900000000, -0.0012002400000000 ]  - [  -0.0084598900000000, -0.0000317200000000, -0.0012036300000000 ]  - [  -0.0084901800000000,  0.0000200800000000, -0.0011108400000000 ]  - [  -0.0084593500000000, -0.0000051700000000, -0.0012029900000000 ]  - [  -0.0084300300000000,  0.0000197500000000, -0.0012953500000000 ]  - [  -0.0084594800000000,  0.0000240200000000, -0.0012036800000000 ]  - [  -0.0084604400000000,  0.0000336000000000, -0.0012696300000000 ]  - [  -0.0084598200000000, -0.0000971600000000, -0.0012034000000000 ]  - [  -0.0084586600000000,  0.0000340600000000, -0.0011368700000000 ]- atom:   97  displacement:    [  -0.0046282778705144,  0.0000000000000000,  0.0088644821593428 ]  forces:  - [   0.0138730300000000,  0.0005029500000000,  0.0233655300000000 ]  - [   0.0138730300000000, -0.0005029500000000,  0.0233655300000000 ]  - [   0.0156720300000000,  0.0000297300000000,  0.0211267900000000 ]  - [   0.0156720300000000, -0.0000297300000000,  0.0211267900000000 ]  - [   0.0156804300000000, -0.0019919400000000,  0.0231137900000000 ]  - [   0.0156804300000000,  0.0019919400000000,  0.0231137900000000 ]  - [   0.0157370000000000, -0.0002572100000000,  0.0207057000000000 ]  - [   0.0157370000000000,  0.0002572100000000,  0.0207057000000000 ]  - [   0.0158539700000000,  0.0000382700000000,  0.0208979700000000 ]  - [   0.0158539700000000, -0.0000382700000000,  0.0208979700000000 ]  - [   0.0158268000000000, -0.0000381100000000,  0.0209201200000000 ]  - [   0.0158268000000000,  0.0000381100000000,  0.0209201200000000 ]  - [  -0.0193601800000000,  0.0000000000000000, -0.0203044500000000 ]  - [  -0.0160618400000000, -0.0000433200000000, -0.0208315600000000 ]  - [  -0.0158289200000000,  0.0000000000000000, -0.0209226300000000 ]  - [  -0.0160618400000000,  0.0000433200000000, -0.0208315600000000 ]  - [  -0.0156798400000000,  0.0000000000000000, -0.0211564500000000 ]  - [  -0.0157274200000000,  0.0000437000000000, -0.0211383300000000 ]  - [  -0.0157521500000000,  0.0000000000000000, -0.0211403000000000 ]  - [  -0.0157274200000000, -0.0000437000000000, -0.0211383300000000 ]  - [  -0.0140026000000000,  0.0000000000000000, -0.0166598900000000 ]  - [  -0.0138705000000000, -0.0023529600000000, -0.0214269400000000 ]  - [  -0.0158758200000000,  0.0000000000000000, -0.0215376100000000 ]  - [  -0.0138705000000000,  0.0023529600000000, -0.0214269400000000 ]  - [   0.0150733700000000,  0.0000000000000000,  0.0216973300000000 ]  - [   0.0159856300000000, -0.0001975200000000,  0.0212291300000000 ]  - [   0.0158199000000000,  0.0000000000000000,  0.0210323000000000 ]  - [   0.0159856300000000,  0.0001975200000000,  0.0212291300000000 ]  - [   0.0156582000000000,  0.0000000000000000,  0.0210703000000000 ]  - [   0.0156493000000000,  0.0002553100000000,  0.0213178200000000 ]  - [   0.0157755000000000,  0.0000000000000000,  0.0211034200000000 ]  - [   0.0156493000000000, -0.0002553100000000,  0.0213178200000000 ]  - [   0.0158111600000000,  0.0000000000000000,  0.0209101000000000 ]  - [   0.0157562200000000, -0.0000461900000000,  0.0208871200000000 ]  - [   0.0157063300000000,  0.0000000000000000,  0.0209688800000000 ]  - [   0.0157562200000000,  0.0000461900000000,  0.0208871200000000 ]  - [  -0.0153951800000000, -0.0007511000000000, -0.0203694600000000 ]  - [  -0.0153951800000000,  0.0007511000000000, -0.0203694600000000 ]  - [  -0.0157380000000000, -0.0000243400000000, -0.0208930800000000 ]  - [  -0.0157380000000000,  0.0000243400000000, -0.0208930800000000 ]  - [  -0.0157674300000000, -0.0000461500000000, -0.0210903000000000 ]  - [  -0.0157674300000000,  0.0000461500000000, -0.0210903000000000 ]  - [  -0.0158050700000000,  0.0000498900000000, -0.0210605300000000 ]  - [  -0.0158050700000000, -0.0000498900000000, -0.0210605300000000 ]  - [  -0.0158682500000000,  0.0000982900000000, -0.0208481900000000 ]  - [  -0.0158682500000000, -0.0000982900000000, -0.0208481900000000 ]  - [  -0.0157802500000000, -0.0000590800000000, -0.0209200000000000 ]  - [  -0.0157802500000000,  0.0000590800000000, -0.0209200000000000 ]  - [   0.0138222500000000,  0.0205443800000000,  0.0497563400000000 ]  - [   0.0138222500000000, -0.0205443800000000,  0.0497563400000000 ]  - [   0.0110072900000000,  0.0007502900000000,  0.0170362800000000 ]  - [   0.0110072900000000, -0.0007502900000000,  0.0170362800000000 ]  - [   0.0108142000000000, -0.0003314000000000,  0.0177162600000000 ]  - [   0.0108142000000000,  0.0003314000000000,  0.0177162600000000 ]  - [   0.0110775400000000,  0.0000129500000000,  0.0171467000000000 ]  - [   0.0110775400000000, -0.0000129500000000,  0.0171467000000000 ]  - [   0.0110074300000000, -0.0000093500000000,  0.0171722800000000 ]  - [   0.0110074300000000,  0.0000093500000000,  0.0171722800000000 ]  - [   0.0110747600000000, -0.0000168000000000,  0.0171491300000000 ]  - [   0.0110747600000000,  0.0000168000000000,  0.0171491300000000 ]  - [  -0.0593142600000000,  0.0000000000000000,  0.0179305100000000 ]  - [  -0.0113289400000000, -0.0004029600000000, -0.0172129000000000 ]  - [  -0.0111459000000000,  0.0000000000000000, -0.0171046000000000 ]  - [  -0.0113289400000000,  0.0004029600000000, -0.0172129000000000 ]  - [  -0.0112658400000000,  0.0000000000000000, -0.0169380600000000 ]  - [  -0.0111629700000000, -0.0000368900000000, -0.0170546800000000 ]  - [  -0.0111244800000000,  0.0000000000000000, -0.0170645200000000 ]  - [  -0.0111629700000000,  0.0000368900000000, -0.0170546800000000 ]  - [  -0.0114144300000000,  0.0000000000000000, -0.0167238900000000 ]  - [  -0.0113464400000000, -0.0001696500000000, -0.0167107400000000 ]  - [  -0.0110668800000000,  0.0000000000000000, -0.0169199800000000 ]  - [  -0.0113464400000000,  0.0001696500000000, -0.0167107400000000 ]  - [   0.0106608700000000,  0.0000000000000000,  0.0171374200000000 ]  - [   0.0111544900000000,  0.0000003100000000,  0.0170016000000000 ]  - [   0.0111261200000000,  0.0000000000000000,  0.0170853800000000 ]  - [   0.0111544900000000, -0.0000003100000000,  0.0170016000000000 ]  - [   0.0110725900000000,  0.0000000000000000,  0.0170688700000000 ]  - [   0.0111576100000000, -0.0000364500000000,  0.0169630600000000 ]  - [   0.0110791000000000,  0.0000000000000000,  0.0169228100000000 ]  - [   0.0111576100000000,  0.0000364500000000,  0.0169630600000000 ]  - [   0.0110926900000000,  0.0000000000000000,  0.0171635300000000 ]  - [   0.0110686700000000,  0.0000016100000000,  0.0171303600000000 ]  - [   0.0111318800000000,  0.0000000000000000,  0.0170358900000000 ]  - [   0.0110686700000000, -0.0000016100000000,  0.0171303600000000 ]  - [  -0.0102239800000000,  0.0002472000000000, -0.0174509600000000 ]  - [  -0.0102239800000000, -0.0002472000000000, -0.0174509600000000 ]  - [  -0.0110702900000000, -0.0000554300000000, -0.0171424900000000 ]  - [  -0.0110702900000000,  0.0000554300000000, -0.0171424900000000 ]  - [  -0.0111126500000000,  0.0000059000000000, -0.0169865600000000 ]  - [  -0.0111126500000000, -0.0000059000000000, -0.0169865600000000 ]  - [  -0.0111181900000000, -0.0000874200000000, -0.0171223700000000 ]  - [  -0.0111181900000000,  0.0000874200000000, -0.0171223700000000 ]  - [  -0.0111332000000000, -0.0000369200000000, -0.0171770800000000 ]  - [  -0.0111332000000000,  0.0000369200000000, -0.0171770800000000 ]  - [  -0.0111027500000000,  0.0001494500000000, -0.0171575600000000 ]  - [  -0.0111027500000000, -0.0001494500000000, -0.0171575600000000 ]  - [   0.0594124200000000,  0.0000000000000000, -0.0999269500000000 ]  - [   0.0085185800000000, -0.0011218100000000, -0.0015327400000000 ]  - [   0.0084619700000000,  0.0000000000000000,  0.0009163600000000 ]  - [   0.0085185800000000,  0.0011218100000000, -0.0015327400000000 ]  - [   0.0084043400000000,  0.0000000000000000,  0.0013976900000000 ]  - [   0.0084838200000000,  0.0000058000000000,  0.0012409600000000 ]  - [   0.0084692900000000,  0.0000000000000000,  0.0012588000000000 ]  - [   0.0084838200000000, -0.0000058000000000,  0.0012409600000000 ]  - [   0.0084089300000000,  0.0000000000000000,  0.0013977900000000 ]  - [   0.0084721400000000, -0.0000468200000000,  0.0012353000000000 ]  - [   0.0083464900000000,  0.0000000000000000,  0.0011945900000000 ]  - [   0.0084721400000000,  0.0000468200000000,  0.0012353000000000 ]  - [  -0.0094835300000000, -0.0064927200000000, -0.0071910600000000 ]  - [  -0.0094835300000000,  0.0064927200000000, -0.0071910600000000 ]  - [  -0.0082661700000000,  0.0002042200000000, -0.0015547300000000 ]  - [  -0.0082661700000000, -0.0002042200000000, -0.0015547300000000 ]  - [  -0.0083470900000000, -0.0000065800000000, -0.0011578200000000 ]  - [  -0.0083470900000000,  0.0000065800000000, -0.0011578200000000 ]  - [  -0.0084965300000000,  0.0000502500000000, -0.0011776400000000 ]  - [  -0.0084965300000000, -0.0000502500000000, -0.0011776400000000 ]  - [  -0.0084234900000000,  0.0001010100000000, -0.0009384800000000 ]  - [  -0.0084234900000000, -0.0001010100000000, -0.0009384800000000 ]  - [  -0.0084895300000000,  0.0000501200000000, -0.0012149700000000 ]  - [  -0.0084895300000000, -0.0000501200000000, -0.0012149700000000 ]  - [   0.0079676600000000, -0.0001855200000000,  0.0012714500000000 ]  - [   0.0079676600000000,  0.0001855200000000,  0.0012714500000000 ]  - [   0.0083851500000000,  0.0000634700000000,  0.0012646500000000 ]  - [   0.0083851500000000, -0.0000634700000000,  0.0012646500000000 ]  - [   0.0084918800000000, -0.0000577400000000,  0.0011918900000000 ]  - [   0.0084918800000000,  0.0000577400000000,  0.0011918900000000 ]  - [   0.0085383000000000,  0.0001630900000000,  0.0013032300000000 ]  - [   0.0085383000000000, -0.0001630900000000,  0.0013032300000000 ]  - [   0.0086386800000000, -0.0000270400000000,  0.0012694400000000 ]  - [   0.0086386800000000,  0.0000270400000000,  0.0012694400000000 ]  - [   0.0086064000000000, -0.0001065100000000,  0.0013391900000000 ]  - [   0.0086064000000000,  0.0001065100000000,  0.0013391900000000 ]  - [  -0.0109494000000000,  0.0000000000000000, -0.0009824700000000 ]  - [  -0.0086396600000000, -0.0001626100000000, -0.0011099000000000 ]  - [  -0.0085051300000000,  0.0000000000000000, -0.0011984400000000 ]  - [  -0.0086396600000000,  0.0001626100000000, -0.0011099000000000 ]  - [  -0.0083419600000000,  0.0000000000000000, -0.0009173400000000 ]  - [  -0.0084362400000000,  0.0000960200000000, -0.0010713100000000 ]  - [  -0.0083825200000000,  0.0000000000000000, -0.0011823900000000 ]  - [  -0.0084362400000000, -0.0000960200000000, -0.0010713100000000 ]  - [  -0.0084496100000000,  0.0000000000000000, -0.0013125200000000 ]  - [  -0.0084333900000000, -0.0000583100000000, -0.0012622800000000 ]  - [  -0.0084358000000000,  0.0000000000000000, -0.0011942200000000 ]  - [  -0.0084333900000000,  0.0000583100000000, -0.0012622800000000 ]- atom:   97  displacement:    [   0.0046282778705144,  0.0000000000000000, -0.0088644821593428 ]  forces:  - [   0.0177007800000000, -0.0005232300000000,  0.0186261600000000 ]  - [   0.0177007800000000,  0.0005232300000000,  0.0186261600000000 ]  - [   0.0158824200000000, -0.0000310700000000,  0.0208950700000000 ]  - [   0.0158824200000000,  0.0000310700000000,  0.0208950700000000 ]  - [   0.0158690100000000,  0.0019443400000000,  0.0189561800000000 ]  - [   0.0158690100000000, -0.0019443400000000,  0.0189561800000000 ]  - [   0.0158181400000000,  0.0002554300000000,  0.0213166900000000 ]  - [   0.0158181400000000, -0.0002554300000000,  0.0213166900000000 ]  - [   0.0156998900000000, -0.0000387100000000,  0.0211250600000000 ]  - [   0.0156998900000000,  0.0000387100000000,  0.0211250600000000 ]  - [   0.0157277300000000,  0.0000376300000000,  0.0211027400000000 ]  - [   0.0157277300000000, -0.0000376300000000,  0.0211027400000000 ]  - [  -0.0123188100000000,  0.0000000000000000, -0.0216437700000000 ]  - [  -0.0154943500000000,  0.0000423000000000, -0.0211851700000000 ]  - [  -0.0157255000000000,  0.0000000000000000, -0.0210961700000000 ]  - [  -0.0154943500000000, -0.0000423000000000, -0.0211851700000000 ]  - [  -0.0158734900000000,  0.0000000000000000, -0.0208630600000000 ]  - [  -0.0158258800000000, -0.0000445600000000, -0.0208802300000000 ]  - [  -0.0158025000000000,  0.0000000000000000, -0.0208775400000000 ]  - [  -0.0158258800000000,  0.0000445600000000, -0.0208802300000000 ]  - [  -0.0175718900000000,  0.0000000000000000, -0.0253800500000000 ]  - [  -0.0177065700000000,  0.0024047300000000, -0.0206159900000000 ]  - [  -0.0156783600000000,  0.0000000000000000, -0.0204891300000000 ]  - [  -0.0177065700000000, -0.0024047300000000, -0.0206159900000000 ]  - [   0.0164874300000000,  0.0000000000000000,  0.0203163500000000 ]  - [   0.0155687600000000,  0.0001978500000000,  0.0207894900000000 ]  - [   0.0157342200000000,  0.0000000000000000,  0.0209871500000000 ]  - [   0.0155687600000000, -0.0001978500000000,  0.0207894900000000 ]  - [   0.0158943100000000,  0.0000000000000000,  0.0209502200000000 ]  - [   0.0159058300000000, -0.0002605800000000,  0.0206983100000000 ]  - [   0.0157783000000000,  0.0000000000000000,  0.0209160700000000 ]  - [   0.0159058300000000,  0.0002605800000000,  0.0206983100000000 ]  - [   0.0157416800000000,  0.0000000000000000,  0.0211093000000000 ]  - [   0.0157981800000000,  0.0000450900000000,  0.0211321300000000 ]  - [   0.0158479900000000,  0.0000000000000000,  0.0210509300000000 ]  - [   0.0157981800000000, -0.0000450900000000,  0.0211321300000000 ]  - [  -0.0161550500000000,  0.0007500800000000, -0.0216490400000000 ]  - [  -0.0161550500000000, -0.0007500800000000, -0.0216490400000000 ]  - [  -0.0158162100000000,  0.0000261200000000, -0.0211269900000000 ]  - [  -0.0158162100000000, -0.0000261200000000, -0.0211269900000000 ]  - [  -0.0157866300000000,  0.0000471500000000, -0.0209333300000000 ]  - [  -0.0157866300000000, -0.0000471500000000, -0.0209333300000000 ]  - [  -0.0157495200000000, -0.0000502800000000, -0.0209622300000000 ]  - [  -0.0157495200000000,  0.0000502800000000, -0.0209622300000000 ]  - [  -0.0156864500000000, -0.0001001900000000, -0.0211774200000000 ]  - [  -0.0156864500000000,  0.0001001900000000, -0.0211774200000000 ]  - [  -0.0157748300000000,  0.0000602200000000, -0.0211037000000000 ]  - [  -0.0157748300000000, -0.0000602200000000, -0.0211037000000000 ]  - [   0.0081372000000000, -0.0210727600000000, -0.0160394100000000 ]  - [   0.0081372000000000,  0.0210727600000000, -0.0160394100000000 ]  - [   0.0111919800000000, -0.0007699300000000,  0.0171302600000000 ]  - [   0.0111919800000000,  0.0007699300000000,  0.0171302600000000 ]  - [   0.0113852700000000,  0.0003349000000000,  0.0164567800000000 ]  - [   0.0113852700000000, -0.0003349000000000,  0.0164567800000000 ]  - [   0.0111279900000000, -0.0000127500000000,  0.0170248600000000 ]  - [   0.0111279900000000,  0.0000127500000000,  0.0170248600000000 ]  - [   0.0111975900000000,  0.0000094700000000,  0.0169991800000000 ]  - [   0.0111975900000000, -0.0000094700000000,  0.0169991800000000 ]  - [   0.0111294500000000,  0.0000182500000000,  0.0170227500000000 ]  - [   0.0111294500000000, -0.0000182500000000,  0.0170227500000000 ]  - [   0.0350439000000000,  0.0000000000000000, -0.0509404400000000 ]  - [  -0.0108851400000000,  0.0004195000000000, -0.0169506100000000 ]  - [  -0.0110603200000000,  0.0000000000000000, -0.0170718200000000 ]  - [  -0.0108851400000000, -0.0004195000000000, -0.0169506100000000 ]  - [  -0.0109423300000000,  0.0000000000000000, -0.0172371800000000 ]  - [  -0.0110447600000000,  0.0000353400000000, -0.0171223300000000 ]  - [  -0.0110819600000000,  0.0000000000000000, -0.0171123100000000 ]  - [  -0.0110447600000000, -0.0000353400000000, -0.0171223300000000 ]  - [  -0.0107901400000000,  0.0000000000000000, -0.0174591500000000 ]  - [  -0.0108632100000000,  0.0001771500000000, -0.0174694800000000 ]  - [  -0.0111427000000000,  0.0000000000000000, -0.0172588600000000 ]  - [  -0.0108632100000000, -0.0001771500000000, -0.0174694800000000 ]  - [   0.0115521800000000,  0.0000000000000000,  0.0170362500000000 ]  - [   0.0110514300000000, -0.0000008800000000,  0.0171755900000000 ]  - [   0.0110803300000000,  0.0000000000000000,  0.0170915800000000 ]  - [   0.0110514300000000,  0.0000008800000000,  0.0171755900000000 ]  - [   0.0111340500000000,  0.0000000000000000,  0.0171062200000000 ]  - [   0.0110497600000000,  0.0000369900000000,  0.0172132100000000 ]  - [   0.0111281900000000,  0.0000000000000000,  0.0172538400000000 ]  - [   0.0110497600000000, -0.0000369900000000,  0.0172132100000000 ]  - [   0.0111135400000000,  0.0000000000000000,  0.0170109400000000 ]  - [   0.0111382300000000, -0.0000013500000000,  0.0170450800000000 ]  - [   0.0110735400000000,  0.0000000000000000,  0.0171416400000000 ]  - [   0.0111382300000000,  0.0000013500000000,  0.0170450800000000 ]  - [  -0.0119918400000000, -0.0002540300000000, -0.0167145600000000 ]  - [  -0.0119918400000000,  0.0002540300000000, -0.0167145600000000 ]  - [  -0.0111356100000000,  0.0000565200000000, -0.0170293000000000 ]  - [  -0.0111356100000000, -0.0000565200000000, -0.0170293000000000 ]  - [  -0.0110937700000000, -0.0000059800000000, -0.0171849700000000 ]  - [  -0.0110937700000000,  0.0000059800000000, -0.0171849700000000 ]  - [  -0.0110878500000000,  0.0000880600000000, -0.0170509000000000 ]  - [  -0.0110878500000000, -0.0000880600000000, -0.0170509000000000 ]  - [  -0.0110722100000000,  0.0000374600000000, -0.0169950600000000 ]  - [  -0.0110722100000000, -0.0000374600000000, -0.0169950600000000 ]  - [  -0.0111025200000000, -0.0001492600000000, -0.0170140800000000 ]  - [  -0.0111025200000000,  0.0001492600000000, -0.0170140800000000 ]  - [  -0.0399022300000000,  0.0000000000000000,  0.1021152300000000 ]  - [   0.0084149200000000,  0.0010829800000000,  0.0039653800000000 ]  - [   0.0084568700000000,  0.0000000000000000,  0.0014890700000000 ]  - [   0.0084149200000000, -0.0010829800000000,  0.0039653800000000 ]  - [   0.0085142400000000,  0.0000000000000000,  0.0010095200000000 ]  - [   0.0084375300000000, -0.0000050200000000,  0.0011655700000000 ]  - [   0.0084503700000000,  0.0000000000000000,  0.0011477000000000 ]  - [   0.0084375300000000,  0.0000050200000000,  0.0011655700000000 ]  - [   0.0085120100000000,  0.0000000000000000,  0.0010059200000000 ]  - [   0.0084483200000000,  0.0000465700000000,  0.0011718500000000 ]  - [   0.0085747300000000,  0.0000000000000000,  0.0012129200000000 ]  - [   0.0084483200000000, -0.0000465700000000,  0.0011718500000000 ]  - [  -0.0074089300000000,  0.0064798600000000,  0.0047338500000000 ]  - [  -0.0074089300000000, -0.0064798600000000,  0.0047338500000000 ]  - [  -0.0086523100000000, -0.0002051500000000, -0.0008496900000000 ]  - [  -0.0086523100000000,  0.0002051500000000, -0.0008496900000000 ]  - [  -0.0085712700000000,  0.0000068300000000, -0.0012471900000000 ]  - [  -0.0085712700000000, -0.0000068300000000, -0.0012471900000000 ]  - [  -0.0084235300000000, -0.0000503300000000, -0.0012270900000000 ]  - [  -0.0084235300000000,  0.0000503300000000, -0.0012270900000000 ]  - [  -0.0084979000000000, -0.0001028900000000, -0.0014687900000000 ]  - [  -0.0084979000000000,  0.0001028900000000, -0.0014687900000000 ]  - [  -0.0084299000000000, -0.0000514500000000, -0.0011873700000000 ]  - [  -0.0084299000000000,  0.0000514500000000, -0.0011873700000000 ]  - [   0.0089538000000000,  0.0001877000000000,  0.0011341800000000 ]  - [   0.0089538000000000, -0.0001877000000000,  0.0011341800000000 ]  - [   0.0085358600000000, -0.0000636400000000,  0.0011397400000000 ]  - [   0.0085358600000000,  0.0000636400000000,  0.0011397400000000 ]  - [   0.0084290400000000,  0.0000569700000000,  0.0012117700000000 ]  - [   0.0084290400000000, -0.0000569700000000,  0.0012117700000000 ]  - [   0.0083821600000000, -0.0001630800000000,  0.0011014300000000 ]  - [   0.0083821600000000,  0.0001630800000000,  0.0011014300000000 ]  - [   0.0082811200000000,  0.0000268200000000,  0.0011356300000000 ]  - [   0.0082811200000000, -0.0000268200000000,  0.0011356300000000 ]  - [   0.0083153200000000,  0.0001054900000000,  0.0010670100000000 ]  - [   0.0083153200000000, -0.0001054900000000,  0.0010670100000000 ]  - [  -0.0058919900000000,  0.0000000000000000, -0.0014426100000000 ]  - [  -0.0082803900000000,  0.0001664100000000, -0.0012974600000000 ]  - [  -0.0084147600000000,  0.0000000000000000, -0.0012087300000000 ]  - [  -0.0082803900000000, -0.0001664100000000, -0.0012974600000000 ]  - [  -0.0085761700000000,  0.0000000000000000, -0.0014872600000000 ]  - [  -0.0084822600000000, -0.0000954600000000, -0.0013350000000000 ]  - [  -0.0085372800000000,  0.0000000000000000, -0.0012245900000000 ]  - [  -0.0084822600000000,  0.0000954600000000, -0.0013350000000000 ]  - [  -0.0084696600000000,  0.0000000000000000, -0.0010934800000000 ]  - [  -0.0084861300000000,  0.0000587000000000, -0.0011443700000000 ]  - [  -0.0084830700000000,  0.0000000000000000, -0.0012130600000000 ]  - [  -0.0084861300000000, -0.0000587000000000, -0.0011443700000000 ]