# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c70d6fdc-33a6-4b2b-87dd-a6434153965f/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 KBiO3 / Pn-3 (201) / materials id 29799](https://mdr.nims.go.jp/datasets/a962d066-10f0-40e4-8ac1-f58f09dfa0ec)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Pn-3"  number: 201  Hall_symbol: "P 2 2 3 -1n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.098179180000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.098179180000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.098179180000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.786951200000000,  0.503251950000000,  0.165932250000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.786951200000000,  0.496748050000000,  0.834067750000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.213048800000000,  0.503251950000000,  0.834067750000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.496748050000000,  0.834067750000000,  0.786951200000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.834067750000000,  0.213048800000000,  0.503251950000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.834067750000000,  0.786951200000000,  0.496748050000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.503251950000000,  0.165932250000000,  0.786951200000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.165932250000000,  0.786951200000000,  0.503251950000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.503251950000000,  0.834067750000000,  0.213048800000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.496748050000000,  0.165932250000000,  0.213048800000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.165932250000000,  0.213048800000000,  0.496748050000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.213048800000000,  0.496748050000000,  0.165932250000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.713048800000000,  0.996748050000000,  0.334067750000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.713048800000000,  0.003251950000000,  0.665932250000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.858939120000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.286951200000000,  0.996748050000000,  0.665932250000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.665932250000000,  0.286951200000000,  0.996748050000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.665932250000000,  0.713048800000000,  0.003251950000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.996748050000000,  0.334067750000000,  0.713048800000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.334067750000000,  0.713048800000000,  0.996748050000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.996748050000000,  0.665932250000000,  0.286951200000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.003251950000000,  0.334067750000000,  0.286951200000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.334067750000000,  0.286951200000000,  0.003251950000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.286951200000000,  0.003251950000000,  0.334067750000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.358939120000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.358939120000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.358939120000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.641060880000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.641060880000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.641060880000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.141060880000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.141060880000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.500000000000000,  0.500000000000000,  0.141060880000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.858939120000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.858939120000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.003251950000000,  0.665932250000000,  0.713048800000000 ]    mass: 15.999400  - symbol: K  # 37    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300  - symbol: K  # 39    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 40    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300  - symbol: K  # 41    coordinates: [  0.155312050000000,  0.155312050000000,  0.155312050000000 ]    mass: 39.098300  - symbol: K  # 42    coordinates: [  0.844687950000000,  0.844687950000000,  0.155312050000000 ]    mass: 39.098300  - symbol: K  # 43    coordinates: [  0.155312050000000,  0.844687950000000,  0.844687950000000 ]    mass: 39.098300  - symbol: K  # 44    coordinates: [  0.844687950000000,  0.155312050000000,  0.844687950000000 ]    mass: 39.098300  - symbol: K  # 45    coordinates: [  0.344687950000000,  0.344687950000000,  0.344687950000000 ]    mass: 39.098300  - symbol: K  # 46    coordinates: [  0.655312050000000,  0.655312050000000,  0.344687950000000 ]    mass: 39.098300  - symbol: K  # 47    coordinates: [  0.344687950000000,  0.655312050000000,  0.655312050000000 ]    mass: 39.098300  - symbol: K  # 48    coordinates: [  0.655312050000000,  0.344687950000000,  0.655312050000000 ]    mass: 39.098300  - symbol: Bi # 49    coordinates: [  0.340369470000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400  - symbol: Bi # 50    coordinates: [  0.000000000000000,  0.340369470000000,  0.500000000000000 ]    mass: 208.980400  - symbol: Bi # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.340369470000000 ]    mass: 208.980400  - symbol: Bi # 52    coordinates: [  0.000000000000000,  0.659630530000000,  0.500000000000000 ]    mass: 208.980400  - symbol: Bi # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.659630530000000 ]    mass: 208.980400  - symbol: Bi # 54    coordinates: [  0.659630530000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400  - symbol: Bi # 55    coordinates: [  0.159630530000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400  - symbol: Bi # 56    coordinates: [  0.500000000000000,  0.159630530000000,  0.000000000000000 ]    mass: 208.980400  - symbol: Bi # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.159630530000000 ]    mass: 208.980400  - symbol: Bi # 58    coordinates: [  0.500000000000000,  0.840369470000000,  0.000000000000000 ]    mass: 208.980400  - symbol: Bi # 59    coordinates: [  0.000000000000000,  0.500000000000000,  0.840369470000000 ]    mass: 208.980400  - symbol: Bi # 60    coordinates: [  0.840369470000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400  reciprocal_lattice: # without 2pi  - [     0.099027753635087,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.099027753635087,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.099027753635087 ] # c*unit_cell:  lattice:  - [    10.098179180000001,    -0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.098179180000001,    -0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.098179180000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.786951200000000,  0.503251950000000,  0.165932250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.786951200000000,  0.496748050000000,  0.834067750000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.213048800000000,  0.503251950000000,  0.834067750000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.496748050000000,  0.834067750000000,  0.786951200000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.834067750000000,  0.213048800000000,  0.503251950000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.834067750000000,  0.786951200000000,  0.496748050000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.503251950000000,  0.165932250000000,  0.786951200000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.165932250000000,  0.786951200000000,  0.503251950000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.503251950000000,  0.834067750000000,  0.213048800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.496748050000000,  0.165932250000000,  0.213048800000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.165932250000000,  0.213048800000000,  0.496748050000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.213048800000000,  0.496748050000000,  0.165932250000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.713048800000000,  0.996748050000000,  0.334067750000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.713048800000000,  0.003251950000000,  0.665932250000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.858939120000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.286951200000000,  0.996748050000000,  0.665932250000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.665932250000000,  0.286951200000000,  0.996748050000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.665932250000000,  0.713048800000000,  0.003251950000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.996748050000000,  0.334067750000000,  0.713048800000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.334067750000000,  0.713048800000000,  0.996748050000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.996748050000000,  0.665932250000000,  0.286951200000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.003251950000000,  0.334067750000000,  0.286951200000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.334067750000000,  0.286951200000000,  0.003251950000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.286951200000000,  0.003251950000000,  0.334067750000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.358939120000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.358939120000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.358939120000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.641060880000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.641060880000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.641060880000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.141060880000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.141060880000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.500000000000000,  0.500000000000000,  0.141060880000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.858939120000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.858939120000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.003251950000000,  0.665932250000000,  0.713048800000000 ]    mass: 15.999400    reduced_to: 36  - symbol: K  # 37    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 38  - symbol: K  # 39    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 40    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 40  - symbol: K  # 41    coordinates: [  0.155312050000000,  0.155312050000000,  0.155312050000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.844687950000000,  0.844687950000000,  0.155312050000000 ]    mass: 39.098300    reduced_to: 42  - symbol: K  # 43    coordinates: [  0.155312050000000,  0.844687950000000,  0.844687950000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.844687950000000,  0.155312050000000,  0.844687950000000 ]    mass: 39.098300    reduced_to: 44  - symbol: K  # 45    coordinates: [  0.344687950000000,  0.344687950000000,  0.344687950000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.655312050000000,  0.655312050000000,  0.344687950000000 ]    mass: 39.098300    reduced_to: 46  - symbol: K  # 47    coordinates: [  0.344687950000000,  0.655312050000000,  0.655312050000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 48    coordinates: [  0.655312050000000,  0.344687950000000,  0.655312050000000 ]    mass: 39.098300    reduced_to: 48  - symbol: Bi # 49    coordinates: [  0.340369470000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 49  - symbol: Bi # 50    coordinates: [  0.000000000000000,  0.340369470000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 50  - symbol: Bi # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.340369470000000 ]    mass: 208.980400    reduced_to: 51  - symbol: Bi # 52    coordinates: [  0.000000000000000,  0.659630530000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 52  - symbol: Bi # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.659630530000000 ]    mass: 208.980400    reduced_to: 53  - symbol: Bi # 54    coordinates: [  0.659630530000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 54  - symbol: Bi # 55    coordinates: [  0.159630530000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 55  - symbol: Bi # 56    coordinates: [  0.500000000000000,  0.159630530000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 56  - symbol: Bi # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.159630530000000 ]    mass: 208.980400    reduced_to: 57  - symbol: Bi # 58    coordinates: [  0.500000000000000,  0.840369470000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 58  - symbol: Bi # 59    coordinates: [  0.000000000000000,  0.500000000000000,  0.840369470000000 ]    mass: 208.980400    reduced_to: 59  - symbol: Bi # 60    coordinates: [  0.840369470000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 60supercell:  lattice:  - [    10.098179180000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.098179180000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.098179180000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.786951200000000,  0.503251950000000,  0.165932250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.786951200000000,  0.496748050000000,  0.834067750000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.213048800000000,  0.503251950000000,  0.834067750000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.496748050000000,  0.834067750000000,  0.786951200000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.834067750000000,  0.213048800000000,  0.503251950000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.834067750000000,  0.786951200000000,  0.496748050000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.503251950000000,  0.165932250000000,  0.786951200000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.165932250000000,  0.786951200000000,  0.503251950000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.503251950000000,  0.834067750000000,  0.213048800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.496748050000000,  0.165932250000000,  0.213048800000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.165932250000000,  0.213048800000000,  0.496748050000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.213048800000000,  0.496748050000000,  0.165932250000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.713048800000000,  0.996748050000000,  0.334067750000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.713048800000000,  0.003251950000000,  0.665932250000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.858939120000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.286951200000000,  0.996748050000000,  0.665932250000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.665932250000000,  0.286951200000000,  0.996748050000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.665932250000000,  0.713048800000000,  0.003251950000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.996748050000000,  0.334067750000000,  0.713048800000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.334067750000000,  0.713048800000000,  0.996748050000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.996748050000000,  0.665932250000000,  0.286951200000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.003251950000000,  0.334067750000000,  0.286951200000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.334067750000000,  0.286951200000000,  0.003251950000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.286951200000000,  0.003251950000000,  0.334067750000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.358939120000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.358939120000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.358939120000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.641060880000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.641060880000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.641060880000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.141060880000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.141060880000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.500000000000000,  0.500000000000000,  0.141060880000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.500000000000000,  0.858939120000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.858939120000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.003251950000000,  0.665932250000000,  0.713048800000000 ]    mass: 15.999400    reduced_to: 36  - symbol: K  # 37    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 38  - symbol: K  # 39    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 40    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 40  - symbol: K  # 41    coordinates: [  0.155312050000000,  0.155312050000000,  0.155312050000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.844687950000000,  0.844687950000000,  0.155312050000000 ]    mass: 39.098300    reduced_to: 42  - symbol: K  # 43    coordinates: [  0.155312050000000,  0.844687950000000,  0.844687950000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.844687950000000,  0.155312050000000,  0.844687950000000 ]    mass: 39.098300    reduced_to: 44  - symbol: K  # 45    coordinates: [  0.344687950000000,  0.344687950000000,  0.344687950000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.655312050000000,  0.655312050000000,  0.344687950000000 ]    mass: 39.098300    reduced_to: 46  - symbol: K  # 47    coordinates: [  0.344687950000000,  0.655312050000000,  0.655312050000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 48    coordinates: [  0.655312050000000,  0.344687950000000,  0.655312050000000 ]    mass: 39.098300    reduced_to: 48  - symbol: Bi # 49    coordinates: [  0.340369470000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 49  - symbol: Bi # 50    coordinates: [  0.000000000000000,  0.340369470000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 50  - symbol: Bi # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.340369470000000 ]    mass: 208.980400    reduced_to: 51  - symbol: Bi # 52    coordinates: [  0.000000000000000,  0.659630530000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 52  - symbol: Bi # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.659630530000000 ]    mass: 208.980400    reduced_to: 53  - symbol: Bi # 54    coordinates: [  0.659630530000000,  0.500000000000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 54  - symbol: Bi # 55    coordinates: [  0.159630530000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 55  - symbol: Bi # 56    coordinates: [  0.500000000000000,  0.159630530000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 56  - symbol: Bi # 57    coordinates: [  0.000000000000000,  0.500000000000000,  0.159630530000000 ]    mass: 208.980400    reduced_to: 57  - symbol: Bi # 58    coordinates: [  0.500000000000000,  0.840369470000000,  0.000000000000000 ]    mass: 208.980400    reduced_to: 58  - symbol: Bi # 59    coordinates: [  0.000000000000000,  0.500000000000000,  0.840369470000000 ]    mass: 208.980400    reduced_to: 59  - symbol: Bi # 60    coordinates: [  0.840369470000000,  0.000000000000000,  0.500000000000000 ]    mass: 208.980400    reduced_to: 60displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1569484800000000,  0.0022608300000000, -0.0371230900000000 ]  - [  -0.0082197300000000, -0.0000241600000000,  0.0024460200000000 ]  - [   0.0041718800000000,  0.0000640900000000, -0.0001465000000000 ]  - [   0.0006810700000000, -0.0010227300000000,  0.0021865000000000 ]  - [  -0.0017385100000000, -0.0016864700000000,  0.0003366900000000 ]  - [  -0.0021682400000000,  0.0016390300000000,  0.0005514900000000 ]  - [   0.0006497700000000,  0.0010297000000000,  0.0021326800000000 ]  - [   0.0015672100000000,  0.0021353400000000,  0.0010395900000000 ]  - [   0.0008645100000000, -0.0013671500000000, -0.0016365600000000 ]  - [   0.0005746000000000,  0.0010517900000000, -0.0016848700000000 ]  - [   0.0016185300000000, -0.0021894500000000,  0.0012010200000000 ]  - [   0.0136351100000000, -0.0002651700000000, -0.0005826400000000 ]  - [  -0.0018320400000000,  0.0001565500000000, -0.0010337900000000 ]  - [  -0.0017415600000000, -0.0001009400000000,  0.0009247000000000 ]  - [  -0.0018499200000000,  0.0000360400000000,  0.0021510900000000 ]  - [   0.0022242300000000,  0.0000380400000000,  0.0009711600000000 ]  - [   0.0033598200000000,  0.0067994600000000,  0.0033249700000000 ]  - [   0.0042493000000000, -0.0079876200000000,  0.0041093900000000 ]  - [  -0.0006904400000000,  0.0000958600000000, -0.0008426900000000 ]  - [   0.0027852400000000, -0.0008234100000000,  0.0007982000000000 ]  - [   0.0055654900000000,  0.0050000400000000,  0.0080725700000000 ]  - [   0.0043512600000000, -0.0044377300000000,  0.0068766300000000 ]  - [   0.0027072300000000,  0.0009378500000000,  0.0007565600000000 ]  - [   0.0022067500000000, -0.0000593300000000, -0.0009079600000000 ]  - [   0.0011925400000000, -0.0000453000000000,  0.0000643900000000 ]  - [   0.0041773700000000, -0.0022712000000000, -0.0077013300000000 ]  - [  -0.0003043400000000,  0.0000218700000000,  0.0001520500000000 ]  - [   0.0047453100000000,  0.0024267100000000, -0.0081018400000000 ]  - [  -0.0002697000000000,  0.0000087000000000,  0.0005614500000000 ]  - [   0.0010013900000000, -0.0002737700000000, -0.0000668500000000 ]  - [   0.0012440600000000, -0.0000780900000000,  0.0011974500000000 ]  - [   0.0001181900000000,  0.0002533400000000, -0.0000194200000000 ]  - [   0.0192453700000000,  0.0001419800000000,  0.0066350000000000 ]  - [   0.0002813600000000, -0.0006210300000000, -0.0002789800000000 ]  - [   0.0021085000000000,  0.0000760800000000,  0.0049457200000000 ]  - [  -0.0006964500000000, -0.0000747900000000, -0.0009578400000000 ]  - [   0.0011062100000000,  0.0001752600000000, -0.0008267400000000 ]  - [  -0.0010253200000000,  0.0003329800000000, -0.0001624200000000 ]  - [   0.0027678500000000,  0.0011819400000000,  0.0008044500000000 ]  - [  -0.0020108100000000, -0.0000264500000000,  0.0006010100000000 ]  - [  -0.0014729200000000,  0.0007899600000000,  0.0003052000000000 ]  - [   0.0024432400000000, -0.0008943200000000,  0.0006207500000000 ]  - [  -0.0010350300000000, -0.0007053000000000,  0.0001763600000000 ]  - [   0.0015752900000000,  0.0003540500000000, -0.0002458900000000 ]  - [  -0.0018823800000000, -0.0005580400000000,  0.0010438500000000 ]  - [   0.0044585000000000, -0.0014949500000000, -0.0015973500000000 ]  - [  -0.0009873000000000, -0.0001773000000000, -0.0002890100000000 ]  - [   0.0005408500000000, -0.0002177100000000, -0.0006916400000000 ]  - [  -0.0137227700000000, -0.0001720000000000, -0.0087487000000000 ]  - [   0.0009337200000000,  0.0012106400000000, -0.0074822000000000 ]  - [  -0.0005189200000000,  0.0002987900000000,  0.0019821900000000 ]  - [   0.0008316600000000, -0.0011286100000000, -0.0078010900000000 ]  - [  -0.0003051900000000,  0.0001423200000000, -0.0016128500000000 ]  - [   0.0389096300000000,  0.0002536800000000,  0.0278799600000000 ]  - [  -0.0017070300000000,  0.0000411700000000, -0.0001779700000000 ]  - [  -0.0061635500000000, -0.0034346100000000, -0.0000083900000000 ]  - [   0.0675383600000000, -0.0007391600000000, -0.0050867600000000 ]  - [  -0.0065250600000000,  0.0038374600000000, -0.0000900600000000 ]  - [   0.0050396500000000,  0.0001220300000000,  0.0111739900000000 ]  - [   0.0023446500000000, -0.0000367800000000, -0.0001176400000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1529179000000000, -0.0022828400000000,  0.0390374700000000 ]  - [   0.0081858700000000,  0.0000233400000000, -0.0023951900000000 ]  - [  -0.0041493800000000, -0.0000639500000000,  0.0001494100000000 ]  - [  -0.0006745100000000,  0.0010173500000000, -0.0021782400000000 ]  - [   0.0017198600000000,  0.0016794400000000, -0.0003335400000000 ]  - [   0.0021491600000000, -0.0016303100000000, -0.0005464500000000 ]  - [  -0.0006419100000000, -0.0010236000000000, -0.0021235500000000 ]  - [  -0.0015549600000000, -0.0021213800000000, -0.0010295600000000 ]  - [  -0.0008536300000000,  0.0013601000000000,  0.0016326900000000 ]  - [  -0.0005646800000000, -0.0010482100000000,  0.0016809400000000 ]  - [  -0.0016063800000000,  0.0021755000000000, -0.0011924600000000 ]  - [  -0.0136765600000000,  0.0002641100000000,  0.0006047800000000 ]  - [   0.0018284000000000, -0.0001492200000000,  0.0010227500000000 ]  - [   0.0017356200000000,  0.0000998800000000, -0.0009196100000000 ]  - [   0.0018296500000000, -0.0000369200000000, -0.0021429900000000 ]  - [  -0.0022137400000000, -0.0000382200000000, -0.0009649500000000 ]  - [  -0.0032983400000000, -0.0068098700000000, -0.0033303000000000 ]  - [  -0.0041792400000000,  0.0080017700000000, -0.0041127300000000 ]  - [   0.0006752900000000, -0.0000899700000000,  0.0008413100000000 ]  - [  -0.0027678900000000,  0.0008605600000000, -0.0008043600000000 ]  - [  -0.0055108900000000, -0.0048506100000000, -0.0079177800000000 ]  - [  -0.0043008200000000,  0.0043027100000000, -0.0067335300000000 ]  - [  -0.0026908900000000, -0.0009739700000000, -0.0007602200000000 ]  - [  -0.0021971000000000,  0.0000588400000000,  0.0009045100000000 ]  - [  -0.0011704600000000,  0.0000449300000000, -0.0000641400000000 ]  - [  -0.0041745200000000,  0.0022056900000000,  0.0075648500000000 ]  - [   0.0002991200000000, -0.0000221800000000, -0.0001431100000000 ]  - [  -0.0047359400000000, -0.0023606600000000,  0.0079604600000000 ]  - [   0.0002672600000000, -0.0000083700000000, -0.0005666400000000 ]  - [  -0.0009983300000000,  0.0002728800000000,  0.0000675900000000 ]  - [  -0.0012505300000000,  0.0000778600000000, -0.0011843300000000 ]  - [  -0.0001160800000000, -0.0002602600000000,  0.0000199900000000 ]  - [  -0.0195033400000000, -0.0001430100000000, -0.0066368100000000 ]  - [  -0.0002790900000000,  0.0006260800000000,  0.0002762700000000 ]  - [  -0.0020366800000000, -0.0000763800000000, -0.0048971100000000 ]  - [   0.0006839400000000,  0.0000683400000000,  0.0009539300000000 ]  - [  -0.0011039300000000, -0.0001677900000000,  0.0008211700000000 ]  - [   0.0010213700000000, -0.0003304600000000,  0.0001636600000000 ]  - [  -0.0027420000000000, -0.0011612100000000, -0.0008011700000000 ]  - [   0.0020018900000000,  0.0000204700000000, -0.0006017900000000 ]  - [   0.0014677500000000, -0.0007819200000000, -0.0003024300000000 ]  - [  -0.0024257400000000,  0.0009150100000000, -0.0006155300000000 ]  - [   0.0010319300000000,  0.0007005400000000, -0.0001744300000000 ]  - [  -0.0015662100000000, -0.0003554500000000,  0.0002423100000000 ]  - [   0.0018734500000000,  0.0005594400000000, -0.0010457300000000 ]  - [  -0.0044858200000000,  0.0015781400000000,  0.0016903800000000 ]  - [   0.0009823100000000,  0.0001757800000000,  0.0002902000000000 ]  - [  -0.0005438800000000,  0.0002117000000000,  0.0006892600000000 ]  - [   0.0137005900000000,  0.0001733900000000,  0.0087413500000000 ]  - [  -0.0009152700000000, -0.0012159900000000,  0.0074100900000000 ]  - [   0.0005074300000000, -0.0002982600000000, -0.0019730600000000 ]  - [  -0.0008154100000000,  0.0011368000000000,  0.0077325000000000 ]  - [   0.0003029700000000, -0.0001423800000000,  0.0016030500000000 ]  - [  -0.0400921400000000, -0.0002910500000000, -0.0299050800000000 ]  - [   0.0016985800000000, -0.0000419000000000,  0.0001736800000000 ]  - [   0.0061001400000000,  0.0034269200000000,  0.0000113400000000 ]  - [  -0.0623455800000000,  0.0006497800000000,  0.0050174900000000 ]  - [   0.0064613000000000, -0.0038273100000000,  0.0000921000000000 ]  - [  -0.0049321900000000, -0.0001179300000000, -0.0111194800000000 ]  - [  -0.0023277500000000,  0.0000342300000000,  0.0001207300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0024558000000000, -0.0358438900000000, -0.0020549200000000 ]  - [   0.0000260300000000, -0.0016164200000000,  0.0000304200000000 ]  - [  -0.0000651000000000, -0.0009099900000000,  0.0000075700000000 ]  - [  -0.0003341000000000,  0.0011688300000000, -0.0012024600000000 ]  - [  -0.0001905100000000,  0.0005743000000000, -0.0008778400000000 ]  - [   0.0001022200000000,  0.0008545500000000,  0.0005284200000000 ]  - [   0.0002999300000000,  0.0010939600000000,  0.0010305600000000 ]  - [   0.0004159300000000,  0.0006417800000000,  0.0002992000000000 ]  - [  -0.0005292000000000,  0.0013953300000000,  0.0005508700000000 ]  - [   0.0008780000000000,  0.0011815500000000, -0.0003345700000000 ]  - [  -0.0004976000000000,  0.0006818400000000, -0.0003348000000000 ]  - [  -0.0002928500000000, -0.0004182000000000,  0.0000294300000000 ]  - [   0.0001545300000000,  0.0018635600000000, -0.0003034900000000 ]  - [   0.0001040400000000,  0.0004552000000000, -0.0000345300000000 ]  - [   0.0000775100000000, -0.0015445600000000,  0.0000053800000000 ]  - [  -0.0000425500000000,  0.0004132800000000, -0.0000576300000000 ]  - [   0.0061770600000000,  0.0043035400000000,  0.0037080300000000 ]  - [  -0.0073011500000000,  0.0055710400000000, -0.0048589700000000 ]  - [   0.0000064000000000, -0.0001787400000000,  0.0008070400000000 ]  - [  -0.0008670600000000, -0.0006837600000000,  0.0000077500000000 ]  - [   0.0048460600000000,  0.0004348400000000,  0.0041222800000000 ]  - [  -0.0037179800000000, -0.0000915900000000, -0.0033197700000000 ]  - [   0.0007013900000000, -0.0006904300000000, -0.0000169700000000 ]  - [  -0.0000621700000000,  0.0003986300000000, -0.0000278900000000 ]  - [  -0.0000161100000000,  0.0003462100000000,  0.0000340800000000 ]  - [  -0.0045937300000000, -0.0016098300000000,  0.0040848200000000 ]  - [  -0.0000324100000000,  0.0005888800000000,  0.0000471300000000 ]  - [   0.0047453300000000, -0.0016989000000000, -0.0041256400000000 ]  - [  -0.0000473200000000,  0.0003734900000000,  0.0000012700000000 ]  - [  -0.0000176400000000,  0.0030899800000000,  0.0000085400000000 ]  - [  -0.0000115100000000, -0.0011286300000000,  0.0000145300000000 ]  - [   0.0001105900000000,  0.0005502400000000, -0.0001007500000000 ]  - [  -0.0001939200000000, -0.0016961500000000, -0.0000364900000000 ]  - [  -0.0000858500000000,  0.0008275200000000,  0.0000826100000000 ]  - [   0.0001870100000000, -0.0002940800000000,  0.0001152400000000 ]  - [  -0.0000176800000000, -0.0001683500000000, -0.0007534900000000 ]  - [  -0.0001069800000000, -0.0000459600000000,  0.0003719700000000 ]  - [   0.0000866700000000, -0.0000265500000000, -0.0001393400000000 ]  - [   0.0007728900000000,  0.0081007400000000, -0.0016796700000000 ]  - [  -0.0001261700000000, -0.0000672200000000, -0.0000477300000000 ]  - [   0.0003079400000000, -0.0004238000000000,  0.0000478900000000 ]  - [  -0.0006560300000000, -0.0036463000000000, -0.0002567300000000 ]  - [  -0.0000982000000000, -0.0002954000000000,  0.0001995100000000 ]  - [   0.0000980200000000, -0.0005261700000000, -0.0004985600000000 ]  - [  -0.0000314500000000,  0.0002025600000000,  0.0000799100000000 ]  - [  -0.0024800200000000,  0.0031573600000000,  0.0031146300000000 ]  - [   0.0000864600000000,  0.0001258300000000, -0.0000257100000000 ]  - [  -0.0000551900000000,  0.0002283900000000, -0.0000357400000000 ]  - [   0.0001441300000000,  0.0018222200000000,  0.0000270200000000 ]  - [   0.0004110500000000,  0.0013023000000000,  0.0023246200000000 ]  - [  -0.0004521900000000, -0.0024744000000000,  0.0000939000000000 ]  - [  -0.0002236300000000,  0.0011250700000000, -0.0023564100000000 ]  - [  -0.0000759200000000, -0.0020178700000000,  0.0000131900000000 ]  - [   0.0002750100000000,  0.0100858100000000,  0.0012295000000000 ]  - [   0.0000771700000000, -0.0012894800000000,  0.0000603900000000 ]  - [  -0.0030010900000000, -0.0035284500000000,  0.0000056600000000 ]  - [  -0.0008545700000000,  0.0109887600000000,  0.0004125800000000 ]  - [   0.0032185500000000, -0.0037001900000000, -0.0002364800000000 ]  - [   0.0000620800000000,  0.0047651300000000, -0.0001508500000000 ]  - [   0.0002500600000000, -0.0020973800000000,  0.0003715000000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0020883000000000,  0.0362123100000000,  0.0013509800000000 ]  - [  -0.0000220700000000,  0.0016168200000000, -0.0000190400000000 ]  - [   0.0000634300000000,  0.0009103000000000, -0.0000074500000000 ]  - [   0.0003331800000000, -0.0011664000000000,  0.0011904400000000 ]  - [   0.0001966700000000, -0.0005646100000000,  0.0008843200000000 ]  - [  -0.0000978000000000, -0.0008636700000000, -0.0005281800000000 ]  - [  -0.0002989400000000, -0.0010951300000000, -0.0010391500000000 ]  - [  -0.0004176900000000, -0.0006503300000000, -0.0002997000000000 ]  - [   0.0005275100000000, -0.0013956000000000, -0.0005466200000000 ]  - [  -0.0008842300000000, -0.0011817200000000,  0.0003363100000000 ]  - [   0.0004969500000000, -0.0006733700000000,  0.0003325200000000 ]  - [   0.0002367500000000,  0.0004194800000000, -0.0000263200000000 ]  - [  -0.0001505900000000, -0.0018746300000000,  0.0003098500000000 ]  - [  -0.0000966400000000, -0.0004555100000000,  0.0000364700000000 ]  - [  -0.0000669100000000,  0.0015455600000000, -0.0000065100000000 ]  - [   0.0000331700000000, -0.0004138200000000,  0.0000571600000000 ]  - [  -0.0062101900000000, -0.0043489600000000, -0.0037435400000000 ]  - [   0.0072577200000000, -0.0055048300000000,  0.0048114000000000 ]  - [  -0.0000099700000000,  0.0001823200000000, -0.0007949400000000 ]  - [   0.0008581400000000,  0.0006828700000000, -0.0000085900000000 ]  - [  -0.0048242300000000, -0.0004098900000000, -0.0041003300000000 ]  - [   0.0037337900000000,  0.0000756300000000,  0.0033349600000000 ]  - [  -0.0007098100000000,  0.0006895900000000,  0.0000169300000000 ]  - [   0.0000555000000000, -0.0003989300000000,  0.0000280400000000 ]  - [   0.0000262100000000, -0.0003470500000000, -0.0000346200000000 ]  - [   0.0046075600000000,  0.0016295500000000, -0.0041059800000000 ]  - [   0.0000365600000000, -0.0005888100000000, -0.0000359600000000 ]  - [  -0.0047338900000000,  0.0016782100000000,  0.0041062400000000 ]  - [   0.0000481700000000, -0.0003737000000000, -0.0000078400000000 ]  - [   0.0000138100000000, -0.0030876300000000, -0.0000098500000000 ]  - [  -0.0000001000000000,  0.0011291800000000, -0.0000152400000000 ]  - [  -0.0001119000000000, -0.0005587200000000,  0.0001020400000000 ]  - [   0.0001671500000000,  0.0016943200000000,  0.0000286400000000 ]  - [   0.0000846700000000, -0.0008187400000000, -0.0000830100000000 ]  - [  -0.0001478200000000,  0.0002939700000000, -0.0000831600000000 ]  - [   0.0000160900000000,  0.0001654800000000,  0.0007640900000000 ]  - [   0.0001046700000000,  0.0000507300000000, -0.0003739800000000 ]  - [  -0.0000834400000000,  0.0000255400000000,  0.0001386500000000 ]  - [  -0.0008593200000000, -0.0085889800000000,  0.0018645900000000 ]  - [   0.0001303900000000,  0.0000692100000000,  0.0000466800000000 ]  - [  -0.0003054000000000,  0.0004214300000000, -0.0000465100000000 ]  - [   0.0006503700000000,  0.0036408800000000,  0.0002544800000000 ]  - [   0.0001020400000000,  0.0002978500000000, -0.0002015000000000 ]  - [  -0.0001006800000000,  0.0005229400000000,  0.0004982000000000 ]  - [   0.0000334600000000, -0.0002047200000000, -0.0000816700000000 ]  - [   0.0023867700000000, -0.0030963200000000, -0.0029873500000000 ]  - [  -0.0000846100000000, -0.0001241900000000,  0.0000262200000000 ]  - [   0.0000530300000000, -0.0002325500000000,  0.0000335300000000 ]  - [  -0.0001367600000000, -0.0018216900000000, -0.0000241900000000 ]  - [  -0.0004133600000000, -0.0013102600000000, -0.0023180500000000 ]  - [   0.0004619800000000,  0.0024771400000000, -0.0000964600000000 ]  - [   0.0002231000000000, -0.0011183700000000,  0.0023664500000000 ]  - [   0.0000771400000000,  0.0020174400000000, -0.0000154100000000 ]  - [  -0.0001063300000000, -0.0100622000000000, -0.0008543800000000 ]  - [  -0.0000766000000000,  0.0012900700000000, -0.0000623200000000 ]  - [   0.0029969600000000,  0.0035207200000000, -0.0000046700000000 ]  - [   0.0005370000000000, -0.0109730100000000, -0.0003276400000000 ]  - [  -0.0032226000000000,  0.0037087500000000,  0.0002344000000000 ]  - [  -0.0000328200000000, -0.0047649900000000,  0.0001170700000000 ]  - [  -0.0002569600000000,  0.0021010500000000, -0.0003805300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0366284500000000, -0.0017332200000000, -0.1036743900000000 ]  - [  -0.0023782600000000,  0.0000234000000000,  0.0065571000000000 ]  - [  -0.0001604300000000, -0.0000069300000000,  0.0007100400000000 ]  - [   0.0004944300000000, -0.0007434800000000,  0.0016058200000000 ]  - [  -0.0003364400000000, -0.0010454500000000,  0.0011804800000000 ]  - [  -0.0001005000000000,  0.0013584700000000,  0.0013919800000000 ]  - [   0.0004164800000000,  0.0008178300000000,  0.0015544200000000 ]  - [   0.0008183800000000,  0.0010212100000000,  0.0010935400000000 ]  - [  -0.0001003300000000, -0.0001021600000000, -0.0021523000000000 ]  - [  -0.0001947100000000,  0.0003379500000000, -0.0017215100000000 ]  - [   0.0007429000000000, -0.0010142500000000,  0.0011632600000000 ]  - [   0.0005600000000000, -0.0000278100000000, -0.0011414900000000 ]  - [  -0.0010212800000000, -0.0003061600000000, -0.0001001400000000 ]  - [  -0.0009160900000000, -0.0000341900000000,  0.0010215100000000 ]  - [   0.0012936000000000, -0.0000465700000000,  0.0044763500000000 ]  - [   0.0009611600000000,  0.0000561700000000,  0.0008616800000000 ]  - [   0.0046763700000000,  0.0043217600000000, -0.0000877700000000 ]  - [   0.0054388800000000, -0.0048754700000000,  0.0004240700000000 ]  - [  -0.0008573200000000,  0.0008233600000000,  0.0027786100000000 ]  - [   0.0008238300000000,  0.0000943300000000, -0.0001828000000000 ]  - [   0.0072914200000000,  0.0054783900000000,  0.0041909800000000 ]  - [   0.0062063400000000, -0.0047133000000000,  0.0033076100000000 ]  - [   0.0008433700000000, -0.0000738700000000, -0.0001665700000000 ]  - [   0.0008995000000000,  0.0000288600000000, -0.0004216400000000 ]  - [   0.0005867200000000,  0.0000270600000000, -0.0001909000000000 ]  - [  -0.0047963100000000,  0.0019843600000000, -0.0012288000000000 ]  - [   0.0001734700000000,  0.0000351400000000,  0.0002228100000000 ]  - [  -0.0051718500000000, -0.0020878000000000, -0.0010956900000000 ]  - [   0.0000448600000000,  0.0000478200000000,  0.0008262800000000 ]  - [   0.0009996500000000, -0.0000743200000000, -0.0003017500000000 ]  - [   0.0009181000000000, -0.0000754600000000,  0.0012472300000000 ]  - [  -0.0000650000000000,  0.0001814100000000,  0.0003575000000000 ]  - [   0.0002416100000000,  0.0000029600000000, -0.0020084700000000 ]  - [  -0.0002588800000000,  0.0004452200000000,  0.0005589200000000 ]  - [   0.0042999200000000,  0.0000160200000000,  0.0034834600000000 ]  - [  -0.0006979900000000, -0.0008440000000000,  0.0027029200000000 ]  - [   0.0000901600000000,  0.0009019000000000, -0.0012348900000000 ]  - [  -0.0000613700000000, -0.0001064000000000, -0.0004768500000000 ]  - [   0.0007718100000000, -0.0020401200000000,  0.0021406300000000 ]  - [  -0.0007087000000000, -0.0000554600000000,  0.0006678700000000 ]  - [  -0.0005046200000000,  0.0000840000000000,  0.0008683600000000 ]  - [   0.0005386200000000, -0.0006468600000000,  0.0017633600000000 ]  - [   0.0000472200000000,  0.0002959800000000, -0.0003558900000000 ]  - [   0.0003896700000000, -0.0006653000000000, -0.0005917600000000 ]  - [  -0.0003222400000000,  0.0000242300000000,  0.0003905200000000 ]  - [  -0.0020944900000000,  0.0021643700000000,  0.0047824100000000 ]  - [  -0.0001480200000000, -0.0000578900000000, -0.0005521800000000 ]  - [  -0.0002112100000000, -0.0004265400000000, -0.0014779300000000 ]  - [  -0.0017150700000000,  0.0000139100000000, -0.0005083900000000 ]  - [  -0.0009041500000000,  0.0016373300000000, -0.0078539700000000 ]  - [   0.0006167000000000, -0.0002276300000000,  0.0010155100000000 ]  - [  -0.0011042600000000, -0.0013888400000000, -0.0080565900000000 ]  - [  -0.0000386500000000, -0.0001700700000000, -0.0020856500000000 ]  - [   0.0370741800000000,  0.0011007700000000,  0.0681287600000000 ]  - [  -0.0009963900000000, -0.0000543200000000, -0.0005537300000000 ]  - [  -0.0046349400000000, -0.0021491100000000,  0.0010252800000000 ]  - [  -0.0149463600000000,  0.0002974700000000,  0.0198293800000000 ]  - [  -0.0048523600000000,  0.0022565300000000,  0.0009730400000000 ]  - [   0.0079295200000000,  0.0001297400000000, -0.0040109100000000 ]  - [   0.0007377500000000, -0.0002149600000000, -0.0010687400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0395508700000000,  0.0016746900000000,  0.1058952500000000 ]  - [   0.0024627500000000, -0.0000244600000000, -0.0067219900000000 ]  - [   0.0001358200000000,  0.0000068800000000, -0.0007097700000000 ]  - [  -0.0004987200000000,  0.0007474300000000, -0.0016194500000000 ]  - [   0.0003425900000000,  0.0010547100000000, -0.0011843900000000 ]  - [   0.0001096100000000, -0.0013690500000000, -0.0013979500000000 ]  - [  -0.0004186400000000, -0.0008237100000000, -0.0015681300000000 ]  - [  -0.0008227800000000, -0.0010322200000000, -0.0010971900000000 ]  - [   0.0000985700000000,  0.0001080500000000,  0.0021653900000000 ]  - [   0.0001938000000000, -0.0003413200000000,  0.0017370200000000 ]  - [  -0.0007476800000000,  0.0010262500000000, -0.0011706000000000 ]  - [  -0.0006267300000000,  0.0000292800000000,  0.0011359200000000 ]  - [   0.0010357200000000,  0.0003087600000000,  0.0001005000000000 ]  - [   0.0009283100000000,  0.0000351600000000, -0.0010248500000000 ]  - [  -0.0012707000000000,  0.0000480800000000, -0.0044620800000000 ]  - [  -0.0009752500000000, -0.0000569700000000, -0.0008636300000000 ]  - [  -0.0047170400000000, -0.0044184500000000,  0.0000812600000000 ]  - [  -0.0054776500000000,  0.0049749900000000, -0.0004216800000000 ]  - [   0.0008698500000000, -0.0008360400000000, -0.0027739900000000 ]  - [  -0.0008353200000000, -0.0000904600000000,  0.0001794900000000 ]  - [  -0.0072656300000000, -0.0054383400000000, -0.0042375900000000 ]  - [  -0.0061824700000000,  0.0046805600000000, -0.0033510500000000 ]  - [  -0.0008558000000000,  0.0000683000000000,  0.0001654700000000 ]  - [  -0.0009132000000000, -0.0000287800000000,  0.0004248200000000 ]  - [  -0.0005802400000000, -0.0000269400000000,  0.0001912000000000 ]  - [   0.0048211000000000, -0.0019932700000000,  0.0013044700000000 ]  - [  -0.0001732900000000, -0.0000353300000000, -0.0002171300000000 ]  - [   0.0051955900000000,  0.0020989600000000,  0.0011771300000000 ]  - [  -0.0000431300000000, -0.0000481400000000, -0.0008366000000000 ]  - [  -0.0010087600000000,  0.0000734600000000,  0.0003029800000000 ]  - [  -0.0009312700000000,  0.0000758300000000, -0.0012542500000000 ]  - [   0.0000646900000000, -0.0001920700000000, -0.0003585100000000 ]  - [  -0.0003235000000000, -0.0000039600000000,  0.0020156000000000 ]  - [   0.0002581200000000, -0.0004332200000000, -0.0005573100000000 ]  - [  -0.0042805100000000, -0.0000148100000000, -0.0034686600000000 ]  - [   0.0007118100000000,  0.0008556200000000, -0.0026950900000000 ]  - [  -0.0000946000000000, -0.0009109400000000,  0.0012393700000000 ]  - [   0.0000672100000000,  0.0001044300000000,  0.0004769500000000 ]  - [  -0.0007873800000000,  0.0019983500000000, -0.0021566700000000 ]  - [   0.0007193000000000,  0.0000554800000000, -0.0006706500000000 ]  - [   0.0005136900000000, -0.0000879600000000, -0.0008680400000000 ]  - [  -0.0005471300000000,  0.0006660100000000, -0.0017634200000000 ]  - [  -0.0000406900000000, -0.0002926300000000,  0.0003530000000000 ]  - [  -0.0003992100000000,  0.0006665200000000,  0.0005900300000000 ]  - [   0.0003277500000000, -0.0000237900000000, -0.0003948100000000 ]  - [   0.0019509300000000, -0.0020145300000000, -0.0046517100000000 ]  - [   0.0001533600000000,  0.0000591700000000,  0.0005541000000000 ]  - [   0.0002141400000000,  0.0004333100000000,  0.0014865900000000 ]  - [   0.0017690700000000, -0.0000145400000000,  0.0005425700000000 ]  - [   0.0008934300000000, -0.0016368200000000,  0.0078921500000000 ]  - [  -0.0006179300000000,  0.0002243900000000, -0.0010213600000000 ]  - [   0.0010949800000000,  0.0013876100000000,  0.0080956700000000 ]  - [   0.0000415100000000,  0.0001695900000000,  0.0020921700000000 ]  - [  -0.0396472600000000, -0.0011713000000000, -0.0705750200000000 ]  - [   0.0010043700000000,  0.0000534400000000,  0.0005545700000000 ]  - [   0.0046683300000000,  0.0021622100000000, -0.0010270700000000 ]  - [   0.0147949000000000, -0.0003030400000000, -0.0196658000000000 ]  - [   0.0048829800000000, -0.0022669700000000, -0.0009720700000000 ]  - [  -0.0080461800000000, -0.0001317200000000,  0.0039309000000000 ]  - [  -0.0007464400000000,  0.0002142800000000,  0.0010739400000000 ]- atom:   15  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0018252700000000,  0.0000684700000000,  0.0012671600000000 ]  - [  -0.0018252700000000, -0.0000684700000000, -0.0012671600000000 ]  - [   0.0012358900000000,  0.0000029000000000,  0.0009514800000000 ]  - [   0.0005596900000000,  0.0002136000000000, -0.0002467500000000 ]  - [  -0.0019912300000000,  0.0066643500000000,  0.0000290000000000 ]  - [  -0.0019912300000000, -0.0066643500000000, -0.0000290000000000 ]  - [   0.0008213500000000,  0.0004169900000000, -0.0006138900000000 ]  - [   0.0034491900000000,  0.0049174400000000,  0.0000964100000000 ]  - [   0.0008213500000000, -0.0004169900000000,  0.0006138900000000 ]  - [   0.0005596900000000, -0.0002136000000000,  0.0002467500000000 ]  - [   0.0034491900000000, -0.0049174400000000, -0.0000964100000000 ]  - [   0.0012358900000000, -0.0000029000000000, -0.0009514800000000 ]  - [   0.0010028000000000, -0.0000120900000000,  0.0010246000000000 ]  - [   0.0010028000000000,  0.0000120900000000, -0.0010246000000000 ]  - [  -0.1258139400000000, -0.0000000000000000, -0.0000000000000000 ]  - [   0.0011809200000000,  0.0000237000000000,  0.0005686400000000 ]  - [   0.0002078400000000,  0.0001399400000000, -0.0000392500000000 ]  - [   0.0002078400000000, -0.0001399400000000,  0.0000392500000000 ]  - [  -0.0017059600000000, -0.0020636500000000,  0.0023886500000000 ]  - [   0.0008463700000000,  0.0005621700000000,  0.0000079800000000 ]  - [  -0.0017059600000000,  0.0020636500000000, -0.0023886500000000 ]  - [  -0.0016426700000000, -0.0019575300000000, -0.0022348600000000 ]  - [   0.0008463700000000, -0.0005621700000000, -0.0000079800000000 ]  - [   0.0011809200000000, -0.0000237000000000, -0.0005686400000000 ]  - [   0.0004729200000000, -0.0000000000000000, -0.0000000000000000 ]  - [  -0.0005119200000000,  0.0004271000000000, -0.0000069600000000 ]  - [  -0.0022163900000000, -0.0000271700000000,  0.0004196800000000 ]  - [  -0.0005119200000000, -0.0004271000000000,  0.0000069600000000 ]  - [  -0.0022163900000000,  0.0000271700000000, -0.0004196800000000 ]  - [   0.0000815100000000, -0.0000000000000000, -0.0000000000000000 ]  - [   0.0175144300000000, -0.0000000000000000, -0.0000000000000000 ]  - [   0.0006683400000000,  0.0003996800000000,  0.0002074700000000 ]  - [   0.0009117900000000,  0.0001255600000000,  0.0003826800000000 ]  - [   0.0006683400000000, -0.0003996800000000, -0.0002074700000000 ]  - [   0.0009117900000000, -0.0001255600000000, -0.0003826800000000 ]  - [  -0.0016426700000000,  0.0019575300000000,  0.0022348600000000 ]  - [   0.0003335000000000,  0.0012828200000000,  0.0014911700000000 ]  - [  -0.0007180200000000,  0.0006439300000000, -0.0004212000000000 ]  - [   0.0003335000000000, -0.0012828200000000, -0.0014911700000000 ]  - [  -0.0007180200000000, -0.0006439300000000,  0.0004212000000000 ]  - [  -0.0002590700000000,  0.0004107300000000,  0.0001461200000000 ]  - [   0.0007176900000000, -0.0001247300000000, -0.0002441900000000 ]  - [  -0.0002590700000000, -0.0004107300000000, -0.0001461200000000 ]  - [   0.0007176900000000,  0.0001247300000000,  0.0002441900000000 ]  - [  -0.0017769800000000,  0.0008130000000000,  0.0006474000000000 ]  - [  -0.0010924600000000,  0.0021203400000000, -0.0020122500000000 ]  - [  -0.0017769800000000, -0.0008130000000000, -0.0006474000000000 ]  - [  -0.0010924600000000, -0.0021203400000000,  0.0020122500000000 ]  - [  -0.0027617300000000, -0.0000000000000000, -0.0000000000000000 ]  - [   0.0560555300000000, -0.0323018900000000,  0.0003290900000000 ]  - [  -0.0020924700000000,  0.0002716400000000, -0.0003790800000000 ]  - [   0.0560555300000000,  0.0323018900000000, -0.0003290900000000 ]  - [  -0.0020924700000000, -0.0002716400000000,  0.0003790800000000 ]  - [  -0.0005769300000000, -0.0000000000000000, -0.0000000000000000 ]  - [   0.0009441600000000, -0.0000000000000000, -0.0000000000000000 ]  - [  -0.0009657500000000,  0.0001748900000000,  0.0002303600000000 ]  - [   0.0028765800000000,  0.0000112600000000,  0.0033191900000000 ]  - [  -0.0009657500000000, -0.0001748900000000, -0.0002303600000000 ]  - [   0.0028765800000000, -0.0000112600000000, -0.0033191900000000 ]  - [   0.0020010100000000, -0.0000000000000000, -0.0000000000000000 ]- atom:   15  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0018585400000000, -0.0000749600000000, -0.0012905700000000 ]  - [   0.0018585400000000,  0.0000749600000000,  0.0012905700000000 ]  - [  -0.0012600200000000, -0.0000085500000000, -0.0009056100000000 ]  - [  -0.0005492900000000, -0.0001664000000000,  0.0002631400000000 ]  - [   0.0020303600000000, -0.0065995100000000, -0.0000347500000000 ]  - [   0.0020303600000000,  0.0065995100000000,  0.0000347500000000 ]  - [  -0.0008241400000000, -0.0004561700000000,  0.0006310100000000 ]  - [  -0.0034983000000000, -0.0049164500000000, -0.0001020400000000 ]  - [  -0.0008241400000000,  0.0004561700000000, -0.0006310100000000 ]  - [  -0.0005492900000000,  0.0001664000000000, -0.0002631400000000 ]  - [  -0.0034983000000000,  0.0049164500000000,  0.0001020400000000 ]  - [  -0.0012600200000000,  0.0000085500000000,  0.0009056100000000 ]  - [  -0.0009980400000000,  0.0000168600000000, -0.0009868600000000 ]  - [  -0.0009980400000000, -0.0000168600000000,  0.0009868600000000 ]  - [   0.1229923900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011801100000000, -0.0000183800000000, -0.0006024400000000 ]  - [  -0.0002378300000000, -0.0001526000000000,  0.0000432000000000 ]  - [  -0.0002378300000000,  0.0001526000000000, -0.0000432000000000 ]  - [   0.0016664900000000,  0.0021195700000000, -0.0023966700000000 ]  - [  -0.0008178800000000, -0.0005696400000000, -0.0000031300000000 ]  - [   0.0016664900000000, -0.0021195700000000,  0.0023966700000000 ]  - [   0.0015956300000000,  0.0020164900000000,  0.0022390900000000 ]  - [  -0.0008178800000000,  0.0005696400000000,  0.0000031300000000 ]  - [  -0.0011801100000000,  0.0000183800000000,  0.0006024400000000 ]  - [  -0.0004913000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005127400000000, -0.0004318000000000,  0.0000043800000000 ]  - [   0.0022097700000000,  0.0000266500000000, -0.0004366600000000 ]  - [   0.0005127400000000,  0.0004318000000000, -0.0000043800000000 ]  - [   0.0022097700000000, -0.0000266500000000,  0.0004366600000000 ]  - [  -0.0000781000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0170142600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0006651900000000, -0.0003904900000000, -0.0002056000000000 ]  - [  -0.0009191800000000, -0.0001253500000000, -0.0003914100000000 ]  - [  -0.0006651900000000,  0.0003904900000000,  0.0002056000000000 ]  - [  -0.0009191800000000,  0.0001253500000000,  0.0003914100000000 ]  - [   0.0015956300000000, -0.0020164900000000, -0.0022390900000000 ]  - [  -0.0003446100000000, -0.0012808800000000, -0.0014899200000000 ]  - [   0.0007209200000000, -0.0006450700000000,  0.0004179700000000 ]  - [  -0.0003446100000000,  0.0012808800000000,  0.0014899200000000 ]  - [   0.0007209200000000,  0.0006450700000000, -0.0004179700000000 ]  - [   0.0002755300000000, -0.0004005200000000, -0.0001339400000000 ]  - [  -0.0007356600000000,  0.0001192000000000,  0.0002511000000000 ]  - [   0.0002755300000000,  0.0004005200000000,  0.0001339400000000 ]  - [  -0.0007356600000000, -0.0001192000000000, -0.0002511000000000 ]  - [   0.0017659400000000, -0.0008144200000000, -0.0006455400000000 ]  - [   0.0010469500000000, -0.0020841000000000,  0.0019764300000000 ]  - [   0.0017659400000000,  0.0008144200000000,  0.0006455400000000 ]  - [   0.0010469500000000,  0.0020841000000000, -0.0019764300000000 ]  - [   0.0027742300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0547431500000000,  0.0303543700000000, -0.0003270000000000 ]  - [   0.0020776500000000, -0.0002723800000000,  0.0003835900000000 ]  - [  -0.0547431500000000, -0.0303543700000000,  0.0003270000000000 ]  - [   0.0020776500000000,  0.0002723800000000, -0.0003835900000000 ]  - [   0.0005512900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009248600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009660900000000, -0.0001677900000000, -0.0002315500000000 ]  - [  -0.0028586400000000, -0.0000116100000000, -0.0033630000000000 ]  - [   0.0009660900000000,  0.0001677900000000,  0.0002315500000000 ]  - [  -0.0028586400000000,  0.0000116100000000,  0.0033630000000000 ]  - [  -0.0019985200000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   15  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000357500000000, -0.0015440500000000, -0.0000380400000000 ]  - [  -0.0000369300000000, -0.0015453800000000, -0.0000563600000000 ]  - [   0.0000817900000000, -0.0011284000000000,  0.0000741200000000 ]  - [  -0.0001040300000000,  0.0003541100000000,  0.0000219800000000 ]  - [   0.0002576300000000,  0.0192301600000000,  0.0001843200000000 ]  - [  -0.0003082400000000,  0.0195185800000000,  0.0001769300000000 ]  - [   0.0000814700000000,  0.0005615200000000, -0.0002749700000000 ]  - [   0.0042659000000000,  0.0020330500000000,  0.0001680300000000 ]  - [  -0.0000838200000000,  0.0005536900000000, -0.0002799700000000 ]  - [   0.0000987800000000,  0.0003617400000000,  0.0000171100000000 ]  - [  -0.0043142700000000,  0.0021122400000000,  0.0001669700000000 ]  - [  -0.0000742700000000, -0.0011290500000000,  0.0000769700000000 ]  - [  -0.0002968600000000,  0.0030884500000000, -0.0000960200000000 ]  - [   0.0002498800000000,  0.0030887400000000, -0.0000513700000000 ]  - [  -0.0020069900000000, -0.1195015600000000,  0.0019054300000000 ]  - [   0.0000441000000000,  0.0003464200000000, -0.0000283500000000 ]  - [   0.0001761100000000, -0.0002972300000000,  0.0000335800000000 ]  - [  -0.0001705500000000, -0.0003063700000000,  0.0000353000000000 ]  - [  -0.0041083800000000, -0.0011124900000000, -0.0079976500000000 ]  - [   0.0000437500000000, -0.0002701300000000, -0.0000481600000000 ]  - [   0.0041230300000000, -0.0011600500000000, -0.0080642300000000 ]  - [  -0.0040869400000000, -0.0012422400000000,  0.0076014300000000 ]  - [  -0.0000445600000000, -0.0002673600000000, -0.0000475500000000 ]  - [  -0.0000458200000000,  0.0003466600000000, -0.0000252300000000 ]  - [   0.0000039100000000,  0.0002693000000000, -0.0000170300000000 ]  - [   0.0000843500000000, -0.0022045600000000, -0.0000860800000000 ]  - [   0.0001100200000000,  0.0025844900000000, -0.0000023100000000 ]  - [  -0.0000873000000000, -0.0022193700000000, -0.0000861900000000 ]  - [  -0.0000620600000000,  0.0025839500000000,  0.0000134700000000 ]  - [  -0.0000051000000000,  0.0003608100000000, -0.0001030300000000 ]  - [  -0.0000585700000000, -0.0099609800000000, -0.0001113600000000 ]  - [   0.0004352200000000,  0.0009146500000000,  0.0001345600000000 ]  - [  -0.0001324100000000, -0.0002526700000000, -0.0002084300000000 ]  - [  -0.0004433600000000,  0.0009162200000000,  0.0001340300000000 ]  - [   0.0001362600000000, -0.0002523200000000, -0.0002046500000000 ]  - [   0.0041037900000000, -0.0012904200000000,  0.0076640800000000 ]  - [   0.0012702600000000, -0.0010345500000000, -0.0020085600000000 ]  - [   0.0006105800000000, -0.0002078600000000, -0.0000073100000000 ]  - [  -0.0012676000000000, -0.0010489900000000, -0.0020000700000000 ]  - [  -0.0006097400000000, -0.0002012000000000, -0.0000099500000000 ]  - [   0.0005611400000000, -0.0006148600000000, -0.0001111600000000 ]  - [   0.0004593800000000, -0.0008227600000000,  0.0006722500000000 ]  - [  -0.0005611700000000, -0.0006122600000000, -0.0001133900000000 ]  - [  -0.0004611900000000, -0.0008279400000000,  0.0006664000000000 ]  - [   0.0000928700000000,  0.0001372400000000,  0.0000738300000000 ]  - [   0.0015100500000000,  0.0009436000000000,  0.0013555900000000 ]  - [  -0.0000887100000000,  0.0001506800000000,  0.0000829400000000 ]  - [  -0.0015371500000000,  0.0008946100000000,  0.0013781900000000 ]  - [  -0.0000009200000000,  0.0002320800000000,  0.0000655900000000 ]  - [  -0.0198406000000000,  0.0424733200000000, -0.0001371700000000 ]  - [   0.0001802900000000, -0.0009433900000000, -0.0001825700000000 ]  - [   0.0219912700000000,  0.0446242200000000, -0.0001379700000000 ]  - [  -0.0001456900000000, -0.0009434500000000, -0.0001872300000000 ]  - [  -0.0000086400000000,  0.0007556000000000,  0.0002189500000000 ]  - [  -0.0000251500000000, -0.0011376700000000, -0.0001118300000000 ]  - [  -0.0001905700000000, -0.0003766200000000,  0.0002141900000000 ]  - [  -0.0000539000000000,  0.0136514500000000, -0.0000066500000000 ]  - [   0.0001881100000000, -0.0003687800000000,  0.0002140300000000 ]  - [   0.0000800000000000,  0.0136519100000000,  0.0000477000000000 ]  - [  -0.0000141600000000, -0.0219145400000000, -0.0005571500000000 ]- atom:   15  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0021411900000000,  0.0000063000000000,  0.0044615000000000 ]  - [  -0.0021529300000000,  0.0000059900000000,  0.0044771200000000 ]  - [   0.0011920600000000, -0.0000147300000000,  0.0012489400000000 ]  - [  -0.0001125700000000,  0.0000648300000000,  0.0001151800000000 ]  - [  -0.0000064900000000, -0.0001405800000000, -0.0016950700000000 ]  - [   0.0000006400000000, -0.0001441200000000, -0.0016951200000000 ]  - [  -0.0000856900000000, -0.0002591800000000,  0.0002787900000000 ]  - [  -0.0000026200000000,  0.0000552100000000, -0.0002940900000000 ]  - [   0.0000851300000000, -0.0002583300000000,  0.0002818100000000 ]  - [   0.0001100400000000,  0.0000649900000000,  0.0001188400000000 ]  - [  -0.0000335100000000,  0.0000972000000000, -0.0002936800000000 ]  - [  -0.0011898800000000, -0.0000148700000000,  0.0012524500000000 ]  - [  -0.0000686600000000,  0.0000088900000000, -0.0003051500000000 ]  - [   0.0000656800000000,  0.0000093200000000, -0.0002994500000000 ]  - [   0.0002929600000000,  0.0019057000000000, -0.0294743100000000 ]  - [   0.0000603100000000, -0.0000344800000000, -0.0001931600000000 ]  - [  -0.0000374500000000, -0.0000262300000000,  0.0005885400000000 ]  - [   0.0000335400000000, -0.0000175900000000,  0.0005894300000000 ]  - [   0.0047670400000000, -0.0052166100000000,  0.0047684600000000 ]  - [   0.0000472800000000,  0.0000090000000000,  0.0003732700000000 ]  - [  -0.0047128100000000, -0.0051514800000000,  0.0047128800000000 ]  - [  -0.0045739000000000,  0.0047803000000000,  0.0041531600000000 ]  - [  -0.0000491100000000,  0.0000077600000000,  0.0003740700000000 ]  - [  -0.0000679600000000, -0.0000345700000000, -0.0001885900000000 ]  - [   0.0000042800000000,  0.0000168400000000,  0.0001686800000000 ]  - [   0.0000162800000000,  0.0000288400000000,  0.0025842600000000 ]  - [   0.0000907400000000, -0.0000148800000000, -0.0005073800000000 ]  - [  -0.0000137100000000,  0.0000245100000000,  0.0025843400000000 ]  - [  -0.0000807800000000, -0.0000151400000000, -0.0005168900000000 ]  - [  -0.0000052000000000, -0.0001030900000000,  0.0001762400000000 ]  - [  -0.0000430000000000,  0.0001114700000000, -0.0051388600000000 ]  - [  -0.0000426100000000, -0.0001295400000000, -0.0002525600000000 ]  - [   0.0004373900000000,  0.0000420000000000,  0.0006633600000000 ]  - [   0.0000415900000000, -0.0001209500000000, -0.0002523600000000 ]  - [  -0.0004413500000000,  0.0000422900000000,  0.0006698800000000 ]  - [   0.0046280200000000,  0.0048380400000000,  0.0041992600000000 ]  - [   0.0008496400000000, -0.0013736200000000, -0.0006558600000000 ]  - [  -0.0004507600000000,  0.0002269800000000, -0.0000052300000000 ]  - [  -0.0008506200000000, -0.0013715500000000, -0.0006589400000000 ]  - [   0.0004529400000000,  0.0002302900000000, -0.0000076400000000 ]  - [   0.0003536800000000, -0.0002916000000000, -0.0002771500000000 ]  - [  -0.0003214600000000,  0.0004803200000000, -0.0004251600000000 ]  - [  -0.0003515700000000, -0.0002912500000000, -0.0002771100000000 ]  - [   0.0003186200000000,  0.0004810700000000, -0.0004253800000000 ]  - [   0.0001570000000000, -0.0000772300000000,  0.0001970300000000 ]  - [  -0.0008936400000000,  0.0008053900000000,  0.0007005400000000 ]  - [  -0.0001511400000000, -0.0000698200000000,  0.0002038500000000 ]  - [   0.0008673000000000,  0.0007863600000000,  0.0007167100000000 ]  - [   0.0000048700000000, -0.0000353300000000, -0.0025117100000000 ]  - [  -0.0002827000000000,  0.0000731300000000,  0.0147714300000000 ]  - [  -0.0000287000000000,  0.0001586600000000,  0.0003002600000000 ]  - [   0.0000195300000000, -0.0000821100000000,  0.0147735800000000 ]  - [   0.0000356600000000,  0.0001590800000000,  0.0003021000000000 ]  - [   0.0000052100000000, -0.0000996200000000, -0.0041605800000000 ]  - [   0.0000002400000000, -0.0000308600000000,  0.0006101600000000 ]  - [   0.0000161400000000,  0.0000207500000000, -0.0004503000000000 ]  - [   0.0024053800000000, -0.0001470900000000, -0.0101876500000000 ]  - [  -0.0000108400000000,  0.0000200800000000, -0.0004500000000000 ]  - [  -0.0024332000000000, -0.0001475500000000, -0.0102091100000000 ]  - [  -0.0000055400000000,  0.0001524300000000,  0.0003924000000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0011051000000000, -0.0001059700000000,  0.0000950800000000 ]  - [   0.0027534800000000, -0.0008059200000000, -0.0007862400000000 ]  - [  -0.0020042900000000,  0.0001300500000000, -0.0007163400000000 ]  - [   0.0080884900000000, -0.0019206000000000, -0.0011285900000000 ]  - [   0.0006693600000000,  0.0006037000000000,  0.0000480500000000 ]  - [   0.0021488800000000, -0.0008054300000000, -0.0017859400000000 ]  - [  -0.0000483300000000,  0.0009049200000000,  0.0001688600000000 ]  - [  -0.0012357400000000, -0.0008257500000000,  0.0003751600000000 ]  - [  -0.0000683000000000,  0.0000554200000000,  0.0000280300000000 ]  - [  -0.0000266500000000,  0.0001067100000000,  0.0003334100000000 ]  - [  -0.0004754600000000,  0.0001642100000000,  0.0001392500000000 ]  - [  -0.0010211200000000,  0.0000855500000000,  0.0000647600000000 ]  - [   0.0011058600000000, -0.0001061700000000,  0.0000894800000000 ]  - [   0.0027574900000000, -0.0008252600000000, -0.0007718300000000 ]  - [   0.0003491700000000,  0.0012685200000000,  0.0008507600000000 ]  - [  -0.0020078700000000,  0.0001273200000000, -0.0007121900000000 ]  - [   0.0006694900000000,  0.0005992100000000,  0.0000461400000000 ]  - [   0.0021489500000000, -0.0008007300000000, -0.0017547500000000 ]  - [  -0.0000471400000000,  0.0009078100000000,  0.0001739500000000 ]  - [  -0.0012387600000000, -0.0008218300000000,  0.0003705700000000 ]  - [  -0.0000676200000000,  0.0000556600000000,  0.0000190500000000 ]  - [  -0.0000252300000000,  0.0001038500000000,  0.0003294600000000 ]  - [  -0.0004779900000000,  0.0001606400000000,  0.0001387600000000 ]  - [  -0.0010245900000000,  0.0000845700000000,  0.0000633600000000 ]  - [  -0.0007146000000000,  0.0006090800000000,  0.0004510700000000 ]  - [  -0.0000044800000000,  0.0004251200000000,  0.0000099900000000 ]  - [  -0.0002030500000000, -0.0002281000000000,  0.0006477400000000 ]  - [  -0.0006556900000000,  0.0014922700000000, -0.0020113100000000 ]  - [  -0.0010395400000000, -0.0013778400000000,  0.0012838900000000 ]  - [   0.0003323200000000,  0.0012703300000000,  0.0008497100000000 ]  - [  -0.0007237700000000,  0.0006114700000000,  0.0004518700000000 ]  - [  -0.0000075500000000,  0.0004146800000000,  0.0000074800000000 ]  - [  -0.0002060800000000, -0.0002292700000000,  0.0006389200000000 ]  - [  -0.0006592400000000,  0.0014910600000000, -0.0019982900000000 ]  - [  -0.0010434300000000, -0.0013671800000000,  0.0012798800000000 ]  - [   0.0086023700000000, -0.0021208400000000, -0.0012153500000000 ]  - [  -0.0342557500000000,  0.0133650300000000,  0.0133612600000000 ]  - [   0.0004406700000000, -0.0001023400000000,  0.0001010900000000 ]  - [  -0.0002355700000000, -0.0001009400000000, -0.0000899500000000 ]  - [   0.0003991700000000,  0.0000893800000000, -0.0001020600000000 ]  - [   0.0002733700000000, -0.0000479100000000, -0.0000504300000000 ]  - [  -0.0005681200000000,  0.0001777900000000,  0.0003539400000000 ]  - [   0.0023217000000000,  0.0004727700000000,  0.0004781700000000 ]  - [  -0.0005476400000000,  0.0003453900000000,  0.0001572200000000 ]  - [   0.0002735900000000, -0.0000483500000000, -0.0000512400000000 ]  - [  -0.0005644200000000,  0.0001789800000000,  0.0003587200000000 ]  - [   0.0023032800000000,  0.0004674200000000,  0.0004722600000000 ]  - [  -0.0005437200000000,  0.0003505600000000,  0.0001582200000000 ]  - [   0.0024616800000000,  0.0005851800000000, -0.0002742400000000 ]  - [   0.0001768700000000, -0.0012198800000000, -0.0007431900000000 ]  - [  -0.0001532100000000, -0.0010365000000000,  0.0010048200000000 ]  - [   0.0043710400000000, -0.0016937700000000, -0.0073942300000000 ]  - [   0.0037533800000000, -0.0070443600000000,  0.0032133400000000 ]  - [  -0.0030932700000000,  0.0031994700000000, -0.0014689400000000 ]  - [   0.0024620200000000,  0.0005893900000000, -0.0002823300000000 ]  - [   0.0001804800000000, -0.0012216300000000, -0.0007385000000000 ]  - [  -0.0001577300000000, -0.0010400900000000,  0.0010096200000000 ]  - [   0.0043504800000000, -0.0016740900000000, -0.0073299600000000 ]  - [   0.0037676200000000, -0.0071031800000000,  0.0032374200000000 ]  - [  -0.0031203500000000,  0.0031804300000000, -0.0014549000000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0014738200000000,  0.0003049300000000, -0.0005078900000000 ]  - [  -0.0010370500000000,  0.0001001400000000, -0.0000445200000000 ]  - [   0.0015730900000000, -0.0000992800000000,  0.0003936800000000 ]  - [  -0.0002955900000000,  0.0002941600000000,  0.0007020900000000 ]  - [  -0.0005935400000000, -0.0002428100000000,  0.0004966600000000 ]  - [  -0.0003562300000000, -0.0001778400000000,  0.0002002500000000 ]  - [  -0.0004219500000000,  0.0000861600000000,  0.0007857600000000 ]  - [   0.0008683300000000,  0.0003017000000000,  0.0000474300000000 ]  - [  -0.0005232900000000,  0.0006669900000000, -0.0003546300000000 ]  - [  -0.0036538000000000,  0.0006608600000000, -0.0009071100000000 ]  - [   0.0017628700000000, -0.0006158800000000,  0.0002614700000000 ]  - [   0.0024397000000000, -0.0006480200000000, -0.0005430700000000 ]  - [  -0.0018776600000000, -0.0000304700000000, -0.0003304400000000 ]  - [  -0.0009827200000000, -0.0000851800000000,  0.0001521500000000 ]  - [  -0.0002644600000000,  0.0005614900000000,  0.0003528000000000 ]  - [   0.0005426400000000,  0.0000539700000000, -0.0002101000000000 ]  - [  -0.0014793900000000, -0.0006957300000000,  0.0000361900000000 ]  - [  -0.0005510400000000,  0.0002930800000000, -0.0000248900000000 ]  - [   0.0002031100000000,  0.0000233100000000, -0.0005561300000000 ]  - [   0.0003937100000000,  0.0010480200000000,  0.0000804500000000 ]  - [   0.0002296300000000,  0.0004305800000000,  0.0002126700000000 ]  - [   0.0030939400000000, -0.0020350900000000, -0.0014969100000000 ]  - [   0.0047927000000000,  0.0017087500000000, -0.0031276200000000 ]  - [   0.0044972100000000, -0.0024734700000000,  0.0020677600000000 ]  - [  -0.0010409600000000,  0.0015097100000000,  0.0008696500000000 ]  - [   0.0006962400000000,  0.0020125600000000, -0.0013749100000000 ]  - [   0.0009002500000000, -0.0008023700000000,  0.0021186500000000 ]  - [   0.0002002200000000,  0.0006426400000000,  0.0000784900000000 ]  - [   0.0001438400000000, -0.0000737300000000,  0.0008090300000000 ]  - [  -0.0017720500000000,  0.0000942700000000,  0.0001564800000000 ]  - [   0.0007222800000000,  0.0004610100000000,  0.0003198400000000 ]  - [  -0.0004239200000000,  0.0002426200000000, -0.0006714300000000 ]  - [  -0.0008244500000000, -0.0004819500000000, -0.0001241100000000 ]  - [  -0.0002751100000000,  0.0001441000000000, -0.0001113900000000 ]  - [  -0.0006111800000000, -0.0002905900000000,  0.0004101700000000 ]  - [   0.0001250100000000, -0.0000580100000000,  0.0001784000000000 ]  - [   0.0002737300000000, -0.0000508900000000, -0.0000488000000000 ]  - [  -0.0005678100000000,  0.0001571400000000, -0.0004679700000000 ]  - [   0.0023033400000000, -0.0003526800000000, -0.0003446300000000 ]  - [  -0.0005479700000000, -0.0004733300000000,  0.0001781900000000 ]  - [  -0.0196869900000000,  0.0011869500000000,  0.0012927500000000 ]  - [   0.0010342800000000,  0.0009870200000000,  0.0000242400000000 ]  - [  -0.0006787400000000, -0.0000220800000000, -0.0000062500000000 ]  - [   0.0010451700000000,  0.0000081500000000,  0.0009868300000000 ]  - [   0.0010006100000000,  0.0031641500000000,  0.0031642700000000 ]  - [   0.0003978700000000, -0.0000650800000000,  0.0000561800000000 ]  - [  -0.0001862900000000, -0.0000554100000000, -0.0000630900000000 ]  - [   0.0003959600000000,  0.0000634500000000, -0.0000646900000000 ]  - [  -0.0007376600000000,  0.0029932600000000, -0.0006245300000000 ]  - [  -0.0005167500000000, -0.0005489900000000, -0.0029447200000000 ]  - [   0.0034118500000000, -0.0026154400000000,  0.0029245300000000 ]  - [  -0.0005109400000000, -0.0003890900000000, -0.0006039600000000 ]  - [   0.0006402700000000, -0.0004519300000000, -0.0003352900000000 ]  - [   0.0020557500000000,  0.0003219100000000,  0.0002658100000000 ]  - [  -0.0048306600000000,  0.0003413500000000,  0.0002166700000000 ]  - [   0.0078441700000000,  0.0007671700000000, -0.0045845500000000 ]  - [  -0.0005335900000000, -0.0047611200000000,  0.0002893300000000 ]  - [   0.0017702700000000, -0.0025355600000000, -0.0004838700000000 ]  - [  -0.0005604700000000, -0.0011348700000000,  0.0018258900000000 ]  - [   0.0024580700000000,  0.0006353200000000, -0.0009972700000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0014674400000000, -0.0003076400000000,  0.0005093000000000 ]  - [   0.0010298200000000, -0.0001005900000000,  0.0000449900000000 ]  - [  -0.0015693600000000,  0.0000994400000000, -0.0003939100000000 ]  - [   0.0002959900000000, -0.0002938300000000, -0.0007033300000000 ]  - [   0.0005889900000000,  0.0002451100000000, -0.0004992600000000 ]  - [   0.0003530500000000,  0.0001733700000000, -0.0002014200000000 ]  - [   0.0004236800000000, -0.0000870500000000, -0.0007858100000000 ]  - [  -0.0008692300000000, -0.0003052800000000, -0.0000465700000000 ]  - [   0.0005260500000000, -0.0006636000000000,  0.0003544800000000 ]  - [   0.0036325500000000, -0.0006530200000000,  0.0009020000000000 ]  - [  -0.0017653000000000,  0.0006203600000000, -0.0002499100000000 ]  - [  -0.0024304700000000,  0.0006578800000000,  0.0005417900000000 ]  - [   0.0018776400000000,  0.0000343000000000,  0.0003205300000000 ]  - [   0.0009862700000000,  0.0000861300000000, -0.0001508300000000 ]  - [   0.0002710600000000, -0.0005608500000000, -0.0003525500000000 ]  - [  -0.0005420200000000, -0.0000546700000000,  0.0002134600000000 ]  - [   0.0014833800000000,  0.0006854500000000, -0.0000332600000000 ]  - [   0.0005534200000000, -0.0002867400000000,  0.0000273900000000 ]  - [  -0.0002058700000000, -0.0000236900000000,  0.0005604200000000 ]  - [  -0.0003910700000000, -0.0010422900000000, -0.0000816600000000 ]  - [  -0.0002325300000000, -0.0004304300000000, -0.0002168100000000 ]  - [  -0.0031595500000000,  0.0021442300000000,  0.0015768300000000 ]  - [  -0.0046405300000000, -0.0015785700000000,  0.0029752000000000 ]  - [  -0.0044475300000000,  0.0023936000000000, -0.0019754700000000 ]  - [   0.0010998200000000, -0.0015374200000000, -0.0008911500000000 ]  - [  -0.0007211500000000, -0.0019760000000000,  0.0013590700000000 ]  - [  -0.0009385500000000,  0.0007893800000000, -0.0020832000000000 ]  - [  -0.0002014100000000, -0.0006506300000000, -0.0000785100000000 ]  - [  -0.0001446600000000,  0.0000735300000000, -0.0008155000000000 ]  - [   0.0017659900000000, -0.0000874900000000, -0.0001519100000000 ]  - [  -0.0007324900000000, -0.0004600500000000, -0.0003201800000000 ]  - [   0.0004264300000000, -0.0002496300000000,  0.0006673900000000 ]  - [   0.0008263200000000,  0.0004793700000000,  0.0001195900000000 ]  - [   0.0002789300000000, -0.0001367200000000,  0.0001134000000000 ]  - [   0.0006149400000000,  0.0002919900000000, -0.0004022500000000 ]  - [  -0.0001248200000000,  0.0000580400000000, -0.0001749900000000 ]  - [  -0.0002735800000000,  0.0000504900000000,  0.0000481000000000 ]  - [   0.0005643100000000, -0.0001579400000000,  0.0004721300000000 ]  - [  -0.0023210900000000,  0.0003599100000000,  0.0003519500000000 ]  - [   0.0005442200000000,  0.0004777900000000, -0.0001790800000000 ]  - [   0.0194960900000000, -0.0013860800000000, -0.0012811900000000 ]  - [  -0.0010335700000000, -0.0009955300000000, -0.0000242500000000 ]  - [   0.0006781000000000,  0.0000259600000000,  0.0000102000000000 ]  - [  -0.0010448200000000, -0.0000082900000000, -0.0009958200000000 ]  - [  -0.0010127000000000, -0.0031415500000000, -0.0031410600000000 ]  - [  -0.0003969400000000,  0.0000657300000000, -0.0000556800000000 ]  - [   0.0001851500000000,  0.0000564200000000,  0.0000635400000000 ]  - [  -0.0003950700000000, -0.0000631900000000,  0.0000657500000000 ]  - [   0.0007308500000000, -0.0029888700000000,  0.0006203100000000 ]  - [   0.0005280100000000,  0.0005499000000000,  0.0029492100000000 ]  - [  -0.0034071900000000,  0.0025828400000000, -0.0028852700000000 ]  - [   0.0005127200000000,  0.0003884800000000,  0.0006046000000000 ]  - [  -0.0006448100000000,  0.0004480600000000,  0.0003322800000000 ]  - [  -0.0020570000000000, -0.0003166800000000, -0.0002712300000000 ]  - [   0.0048343400000000, -0.0003269100000000, -0.0002386200000000 ]  - [  -0.0077679700000000, -0.0007570600000000,  0.0045117800000000 ]  - [   0.0005527300000000,  0.0047729900000000, -0.0002936400000000 ]  - [  -0.0017712200000000,  0.0025248700000000,  0.0004768800000000 ]  - [   0.0005610000000000,  0.0011339800000000, -0.0018235800000000 ]  - [  -0.0024468000000000, -0.0006413000000000,  0.0010053200000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0137115500000000,  0.0001405000000000, -0.0017514000000000 ]  - [  -0.0137115500000000, -0.0001405000000000,  0.0017514000000000 ]  - [   0.0389594100000000, -0.0001709300000000,  0.0373723700000000 ]  - [   0.0011293000000000, -0.0013950700000000,  0.0011251400000000 ]  - [  -0.0020894300000000, -0.0016026700000000, -0.0000132500000000 ]  - [  -0.0020894300000000,  0.0016026700000000,  0.0000132500000000 ]  - [   0.0013144300000000,  0.0016447900000000,  0.0012063700000000 ]  - [   0.0010184100000000,  0.0019724000000000,  0.0000965200000000 ]  - [   0.0013144300000000, -0.0016447900000000, -0.0012063700000000 ]  - [   0.0011293000000000,  0.0013950700000000, -0.0011251400000000 ]  - [   0.0010184100000000, -0.0019724000000000, -0.0000965200000000 ]  - [   0.0389594100000000,  0.0001709300000000, -0.0373723700000000 ]  - [  -0.0016950500000000,  0.0000763000000000, -0.0010010700000000 ]  - [  -0.0016950500000000, -0.0000763000000000,  0.0010010700000000 ]  - [  -0.0027619300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023306900000000, -0.0002534600000000,  0.0007408100000000 ]  - [  -0.0039756000000000,  0.0111723100000000,  0.0001334400000000 ]  - [  -0.0039756000000000, -0.0111723100000000, -0.0001334400000000 ]  - [  -0.0035286800000000, -0.0021645200000000, -0.0034281200000000 ]  - [   0.0197941200000000, -0.0052579200000000,  0.0003681000000000 ]  - [  -0.0035286800000000,  0.0021645200000000,  0.0034281200000000 ]  - [  -0.0037065500000000, -0.0022706000000000,  0.0038304200000000 ]  - [   0.0197941200000000,  0.0052579200000000, -0.0003681000000000 ]  - [   0.0023306900000000,  0.0002534600000000, -0.0007408100000000 ]  - [   0.0020127300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0101470400000000, -0.0033303400000000, -0.0000207700000000 ]  - [  -0.0003732000000000, -0.0000206300000000, -0.0001631200000000 ]  - [  -0.0101470400000000,  0.0033303400000000,  0.0000207700000000 ]  - [  -0.0003732000000000,  0.0000206300000000,  0.0001631200000000 ]  - [   0.0009373200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005680100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003028600000000,  0.0003777300000000,  0.0001851900000000 ]  - [   0.0445842100000000,  0.0000039400000000,  0.0324245200000000 ]  - [   0.0003028600000000, -0.0003777300000000, -0.0001851900000000 ]  - [   0.0445842100000000, -0.0000039400000000, -0.0324245200000000 ]  - [  -0.0037065500000000,  0.0022706000000000, -0.0038304200000000 ]  - [   0.0024633000000000,  0.0010133000000000, -0.0012286300000000 ]  - [  -0.0030971800000000,  0.0032229600000000,  0.0016870500000000 ]  - [   0.0024633000000000, -0.0010133000000000,  0.0012286300000000 ]  - [  -0.0030971800000000, -0.0032229600000000, -0.0016870500000000 ]  - [  -0.0007266900000000,  0.0028955400000000, -0.0005461300000000 ]  - [   0.0020540700000000, -0.0003282300000000,  0.0003941000000000 ]  - [  -0.0007266900000000, -0.0028955400000000,  0.0005461300000000 ]  - [   0.0020540700000000,  0.0003282300000000, -0.0003941000000000 ]  - [  -0.0048367600000000,  0.0002880500000000,  0.0007557500000000 ]  - [   0.0024570000000000,  0.0018298100000000,  0.0025384000000000 ]  - [  -0.0048367600000000, -0.0002880500000000, -0.0007557500000000 ]  - [   0.0024570000000000, -0.0018298100000000, -0.0025384000000000 ]  - [  -0.2867443600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0019699200000000,  0.0020913000000000, -0.0001478900000000 ]  - [  -0.0006765600000000,  0.0000603300000000,  0.0020961100000000 ]  - [   0.0019699200000000, -0.0020913000000000,  0.0001478900000000 ]  - [  -0.0006765600000000, -0.0000603300000000, -0.0020961100000000 ]  - [   0.0885284400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011727200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0086737500000000, -0.0146915600000000,  0.0000881200000000 ]  - [   0.0376785000000000, -0.0002406500000000, -0.0145163200000000 ]  - [  -0.0086737500000000,  0.0146915600000000, -0.0000881200000000 ]  - [   0.0376785000000000,  0.0002406500000000,  0.0145163200000000 ]  - [   0.0021321800000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0137142000000000, -0.0001432500000000,  0.0017206200000000 ]  - [   0.0137142000000000,  0.0001432500000000, -0.0017206200000000 ]  - [  -0.0400456700000000,  0.0002067800000000, -0.0393030600000000 ]  - [  -0.0011091100000000,  0.0014077100000000, -0.0011392300000000 ]  - [   0.0021112100000000,  0.0016151800000000,  0.0000119000000000 ]  - [   0.0021112100000000, -0.0016151800000000, -0.0000119000000000 ]  - [  -0.0013003500000000, -0.0016521800000000, -0.0012192400000000 ]  - [  -0.0010392500000000, -0.0019806800000000, -0.0000973400000000 ]  - [  -0.0013003500000000,  0.0016521800000000,  0.0012192400000000 ]  - [  -0.0011091100000000, -0.0014077100000000,  0.0011392300000000 ]  - [  -0.0010392500000000,  0.0019806800000000,  0.0000973400000000 ]  - [  -0.0400456700000000, -0.0002067800000000,  0.0393030600000000 ]  - [   0.0017081300000000, -0.0000740600000000,  0.0010148600000000 ]  - [   0.0017081300000000,  0.0000740600000000, -0.0010148600000000 ]  - [   0.0027487700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0023388100000000,  0.0002564600000000, -0.0007603700000000 ]  - [   0.0039538600000000, -0.0111282300000000, -0.0001322800000000 ]  - [   0.0039538600000000,  0.0111282300000000,  0.0001322800000000 ]  - [   0.0035217500000000,  0.0021652100000000,  0.0034299500000000 ]  - [  -0.0196978000000000,  0.0048411500000000, -0.0003702000000000 ]  - [   0.0035217500000000, -0.0021652100000000, -0.0034299500000000 ]  - [   0.0036976300000000,  0.0022725600000000, -0.0038314500000000 ]  - [  -0.0196978000000000, -0.0048411500000000,  0.0003702000000000 ]  - [  -0.0023388100000000, -0.0002564600000000,  0.0007603700000000 ]  - [  -0.0019941400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0102531100000000,  0.0033368900000000,  0.0000196600000000 ]  - [   0.0003737400000000,  0.0000200600000000,  0.0001571200000000 ]  - [   0.0102531100000000, -0.0033368900000000, -0.0000196600000000 ]  - [   0.0003737400000000, -0.0000200600000000, -0.0001571200000000 ]  - [  -0.0009214800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005726500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003028400000000, -0.0003686900000000, -0.0001837700000000 ]  - [  -0.0425200600000000, -0.0000048100000000, -0.0302332100000000 ]  - [  -0.0003028400000000,  0.0003686900000000,  0.0001837700000000 ]  - [  -0.0425200600000000,  0.0000048100000000,  0.0302332100000000 ]  - [   0.0036976300000000, -0.0022725600000000,  0.0038314500000000 ]  - [  -0.0024623600000000, -0.0010034500000000,  0.0012142800000000 ]  - [   0.0031165900000000, -0.0032241300000000, -0.0016779600000000 ]  - [  -0.0024623600000000,  0.0010034500000000, -0.0012142800000000 ]  - [   0.0031165900000000,  0.0032241300000000,  0.0016779600000000 ]  - [   0.0007479200000000, -0.0029067900000000,  0.0005548300000000 ]  - [  -0.0020594700000000,  0.0003349300000000, -0.0003778200000000 ]  - [   0.0007479200000000,  0.0029067900000000, -0.0005548300000000 ]  - [  -0.0020594700000000, -0.0003349300000000,  0.0003778200000000 ]  - [   0.0048259100000000, -0.0003007900000000, -0.0007730000000000 ]  - [  -0.0024439200000000, -0.0018138600000000, -0.0025274400000000 ]  - [   0.0048259100000000,  0.0003007900000000,  0.0007730000000000 ]  - [  -0.0024439200000000,  0.0018138600000000,  0.0025274400000000 ]  - [   0.2836337200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0019680000000000, -0.0021067700000000,  0.0001472600000000 ]  - [   0.0006763900000000, -0.0000599700000000, -0.0020977400000000 ]  - [  -0.0019680000000000,  0.0021067700000000, -0.0001472600000000 ]  - [   0.0006763900000000,  0.0000599700000000,  0.0020977400000000 ]  - [  -0.0871961100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0011851500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0085036000000000,  0.0146211600000000, -0.0000880200000000 ]  - [  -0.0378609300000000,  0.0002406100000000,  0.0147929500000000 ]  - [   0.0085036000000000, -0.0146211600000000,  0.0000880200000000 ]  - [  -0.0378609300000000, -0.0002406100000000, -0.0147929500000000 ]  - [  -0.0021395200000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001633800000000,  0.0018213500000000,  0.0000135200000000 ]  - [   0.0001824400000000,  0.0018207800000000,  0.0000153200000000 ]  - [  -0.0001278700000000,  0.0100718500000000, -0.0009302200000000 ]  - [  -0.0023825400000000, -0.0081004600000000,  0.0077845300000000 ]  - [  -0.0000434700000000, -0.0003133200000000,  0.0000765000000000 ]  - [   0.0000361000000000, -0.0002997800000000,  0.0000762300000000 ]  - [   0.0023051200000000, -0.0078498200000000, -0.0074295900000000 ]  - [   0.0006261100000000, -0.0005056400000000, -0.0004611200000000 ]  - [  -0.0023387400000000, -0.0078964000000000, -0.0074627200000000 ]  - [   0.0023420300000000, -0.0080513100000000,  0.0077488000000000 ]  - [  -0.0006081100000000, -0.0005213200000000, -0.0004536300000000 ]  - [   0.0004160500000000,  0.0100792400000000, -0.0013412000000000 ]  - [   0.0000361200000000, -0.0012922100000000, -0.0000588100000000 ]  - [  -0.0000467000000000, -0.0012915600000000, -0.0000489600000000 ]  - [   0.0000020600000000,  0.0002321500000000, -0.0000357100000000 ]  - [   0.0000353100000000, -0.0020970700000000,  0.0002224900000000 ]  - [   0.0079588700000000,  0.0049644900000000, -0.0000486400000000 ]  - [  -0.0080156700000000,  0.0050077800000000, -0.0000465000000000 ]  - [   0.0000028500000000,  0.0010099000000000, -0.0000228900000000 ]  - [  -0.0149699600000000,  0.0676374800000000, -0.0007397000000000 ]  - [  -0.0000079400000000,  0.0010430300000000,  0.0000017400000000 ]  - [   0.0002312800000000,  0.0009557700000000,  0.0001039900000000 ]  - [   0.0147738400000000,  0.0622517400000000, -0.0006536800000000 ]  - [  -0.0000353500000000, -0.0020995800000000,  0.0002068000000000 ]  - [  -0.0000184800000000, -0.0219148900000000, -0.0001528000000000 ]  - [  -0.0024193400000000,  0.0028520800000000, -0.0000676800000000 ]  - [  -0.0002095000000000, -0.0004522800000000,  0.0002315100000000 ]  - [   0.0024196000000000,  0.0028903700000000, -0.0000666800000000 ]  - [   0.0002188900000000, -0.0004534600000000,  0.0002306300000000 ]  - [  -0.0000228900000000, -0.0011362500000000, -0.0000309800000000 ]  - [  -0.0000027500000000,  0.0007540000000000,  0.0000995700000000 ]  - [   0.0000292900000000, -0.0020878300000000,  0.0001639500000000 ]  - [  -0.0000207800000000,  0.0147704200000000,  0.0001805500000000 ]  - [  -0.0000334100000000, -0.0020834300000000,  0.0001618400000000 ]  - [  -0.0002959800000000,  0.0147777800000000,  0.0004755400000000 ]  - [  -0.0002393700000000,  0.0009899900000000,  0.0000791800000000 ]  - [   0.0005940100000000, -0.0001579100000000, -0.0007433600000000 ]  - [   0.0031703300000000,  0.0037513700000000,  0.0073201500000000 ]  - [  -0.0005847500000000, -0.0001505200000000, -0.0007381100000000 ]  - [  -0.0032075400000000,  0.0037708600000000,  0.0074049700000000 ]  - [   0.0029703800000000,  0.0033976400000000, -0.0029254700000000 ]  - [   0.0003206200000000,  0.0006393100000000,  0.0006078300000000 ]  - [  -0.0030111600000000,  0.0034208900000000, -0.0029675500000000 ]  - [  -0.0003180200000000,  0.0006437000000000,  0.0006027600000000 ]  - [   0.0003304200000000, -0.0005282900000000, -0.0045304900000000 ]  - [   0.0006420100000000, -0.0005644700000000,  0.0004821800000000 ]  - [  -0.0003375900000000, -0.0005536600000000, -0.0045637500000000 ]  - [  -0.0006335200000000, -0.0005555500000000,  0.0004786100000000 ]  - [   0.0000506000000000, -0.2242594900000000,  0.0019444900000000 ]  - [   0.0006774300000000, -0.0006665800000000,  0.0000236800000000 ]  - [   0.0000308400000000,  0.0128315600000000, -0.0001154000000000 ]  - [  -0.0006865000000000, -0.0006854200000000,  0.0000251500000000 ]  - [  -0.0000181800000000,  0.0128307300000000, -0.0001797400000000 ]  - [  -0.0000863600000000, -0.0189021000000000, -0.0006125900000000 ]  - [  -0.0000125100000000,  0.0018430400000000, -0.0001364100000000 ]  - [  -0.0278304500000000,  0.0375533200000000,  0.0003718500000000 ]  - [   0.0004314500000000, -0.0036861300000000,  0.0000890500000000 ]  - [   0.0282038300000000,  0.0379854200000000,  0.0003719500000000 ]  - [  -0.0003128300000000, -0.0036843700000000,  0.0000865800000000 ]  - [   0.0000037700000000,  0.0002431000000000, -0.0001175700000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0087327300000000,  0.0000255500000000, -0.0005209500000000 ]  - [   0.0087589400000000,  0.0000259200000000, -0.0005234000000000 ]  - [   0.0276529200000000, -0.0010129900000000,  0.0680031200000000 ]  - [   0.0002235900000000,  0.0010961400000000,  0.0008023500000000 ]  - [   0.0001689300000000, -0.0001410100000000, -0.0020157400000000 ]  - [  -0.0001702200000000, -0.0001437400000000, -0.0020185200000000 ]  - [   0.0004128200000000, -0.0008955600000000,  0.0009053600000000 ]  - [  -0.0002175800000000,  0.0002909500000000, -0.0024761900000000 ]  - [  -0.0004144200000000, -0.0009029500000000,  0.0009423700000000 ]  - [  -0.0002258800000000,  0.0011031000000000,  0.0008430700000000 ]  - [   0.0002344900000000,  0.0003058900000000, -0.0024764000000000 ]  - [  -0.0301486900000000, -0.0010716300000000,  0.0707055000000000 ]  - [  -0.0001722000000000,  0.0000604900000000, -0.0005527600000000 ]  - [   0.0001816400000000,  0.0000612600000000, -0.0005562100000000 ]  - [   0.0000078800000000,  0.0000655400000000, -0.0025094700000000 ]  - [  -0.0001267900000000, -0.0003737400000000, -0.0010745100000000 ]  - [  -0.0001285300000000, -0.0001225600000000,  0.0047637900000000 ]  - [   0.0001333200000000, -0.0001175300000000,  0.0047659400000000 ]  - [  -0.0029925900000000, -0.0046643600000000, -0.0061404700000000 ]  - [   0.0003156900000000, -0.0008942500000000,  0.0109818800000000 ]  - [   0.0030046800000000, -0.0046406600000000, -0.0061226600000000 ]  - [   0.0032269400000000,  0.0048572200000000, -0.0064836400000000 ]  - [  -0.0002852400000000, -0.0004930900000000,  0.0109802500000000 ]  - [   0.0001110100000000, -0.0003790000000000, -0.0010708300000000 ]  - [   0.0000098100000000,  0.0005571400000000,  0.0003882900000000 ]  - [   0.0001695100000000,  0.0000148100000000,  0.0136508900000000 ]  - [   0.0001940300000000,  0.0000130000000000, -0.0009612200000000 ]  - [  -0.0001253700000000,  0.0000077600000000,  0.0136519200000000 ]  - [  -0.0001872900000000,  0.0000135900000000, -0.0009717000000000 ]  - [  -0.0000003000000000, -0.0001119600000000,  0.0006095700000000 ]  - [   0.0000110900000000, -0.0002191300000000, -0.0041578500000000 ]  - [  -0.0001617700000000,  0.0002720700000000, -0.0009458900000000 ]  - [   0.0217695800000000, -0.0001518700000000,  0.0560768500000000 ]  - [   0.0001559400000000,  0.0002727300000000, -0.0009442900000000 ]  - [  -0.0200533100000000, -0.0001506500000000,  0.0547223200000000 ]  - [  -0.0032134700000000,  0.0048797800000000, -0.0065020300000000 ]  - [  -0.0002804600000000, -0.0010369900000000,  0.0001806200000000 ]  - [   0.0014473100000000,  0.0070312200000000,  0.0043457600000000 ]  - [   0.0002800300000000, -0.0010398500000000,  0.0001790100000000 ]  - [  -0.0014734800000000,  0.0071170800000000,  0.0043768200000000 ]  - [  -0.0006205900000000, -0.0026092700000000, -0.0005260300000000 ]  - [  -0.0002721800000000,  0.0004526000000000, -0.0005088900000000 ]  - [   0.0006213500000000, -0.0025881200000000, -0.0005184100000000 ]  - [   0.0002655800000000,  0.0004492800000000, -0.0005105500000000 ]  - [   0.0002255400000000, -0.0048110100000000,  0.0078550300000000 ]  - [   0.0010102200000000,  0.0011392100000000,  0.0017741800000000 ]  - [  -0.0002292300000000, -0.0047216800000000,  0.0077553500000000 ]  - [  -0.0009928000000000,  0.0011297000000000,  0.0017714200000000 ]  - [   0.0009331700000000,  0.0019441100000000, -0.2605905400000000 ]  - [  -0.0002456100000000,  0.0000487500000000,  0.0128298300000000 ]  - [   0.0006875700000000, -0.0002324000000000,  0.0019598800000000 ]  - [   0.0002192000000000,  0.0000711500000000,  0.0128322900000000 ]  - [  -0.0006759700000000, -0.0002326900000000,  0.0019765300000000 ]  - [   0.0000484100000000,  0.0006121200000000, -0.0380116900000000 ]  - [  -0.0000007300000000, -0.0001363300000000,  0.0023355000000000 ]  - [   0.0001246700000000, -0.0002282200000000, -0.0036848500000000 ]  - [  -0.0281351400000000,  0.0001702800000000, -0.0085382500000000 ]  - [  -0.0002159900000000, -0.0002527500000000, -0.0036868500000000 ]  - [   0.0278990500000000,  0.0001702400000000, -0.0086356800000000 ]  - [  -0.0000063400000000,  0.0001172900000000,  0.0012707600000000 ]