# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7ca77e6c-bc5b-4cf5-8542-11a3c2069cf0/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 La3Pt3O11 / Pn-3 (201) / materials id 768523](https://mdr.nims.go.jp/datasets/82e738dd-de37-4e77-aba4-aa5b01367db8)

## 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:  - [     9.456089300000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.456089300000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.456089300000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 138.905470  - symbol: La # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 138.905470  - symbol: La # 3    coordinates: [  0.863774590000000,  0.863774590000000,  0.863774590000000 ]    mass: 138.905470  - symbol: La # 4    coordinates: [  0.863774590000000,  0.136225410000000,  0.136225410000000 ]    mass: 138.905470  - symbol: La # 5    coordinates: [  0.136225410000000,  0.863774590000000,  0.136225410000000 ]    mass: 138.905470  - symbol: La # 6    coordinates: [  0.136225410000000,  0.136225410000000,  0.863774590000000 ]    mass: 138.905470  - symbol: La # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 138.905470  - symbol: La # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 138.905470  - symbol: La # 9    coordinates: [  0.363774590000000,  0.363774590000000,  0.636225410000000 ]    mass: 138.905470  - symbol: La # 10    coordinates: [  0.363774590000000,  0.636225410000000,  0.363774590000000 ]    mass: 138.905470  - symbol: La # 11    coordinates: [  0.636225410000000,  0.363774590000000,  0.363774590000000 ]    mass: 138.905470  - symbol: La # 12    coordinates: [  0.636225410000000,  0.636225410000000,  0.636225410000000 ]    mass: 138.905470  - symbol: Pt # 13    coordinates: [  0.842606830000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000  - symbol: Pt # 14    coordinates: [  0.000000000000000,  0.842606830000000,  0.500000000000000 ]    mass: 195.084000  - symbol: Pt # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.342606830000000 ]    mass: 195.084000  - symbol: Pt # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.657393170000000 ]    mass: 195.084000  - symbol: Pt # 17    coordinates: [  0.000000000000000,  0.157393170000000,  0.500000000000000 ]    mass: 195.084000  - symbol: Pt # 18    coordinates: [  0.157393170000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000  - symbol: Pt # 19    coordinates: [  0.342606830000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000  - symbol: Pt # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.842606830000000 ]    mass: 195.084000  - symbol: Pt # 21    coordinates: [  0.500000000000000,  0.000000000000000,  0.157393170000000 ]    mass: 195.084000  - symbol: Pt # 22    coordinates: [  0.500000000000000,  0.342606830000000,  0.000000000000000 ]    mass: 195.084000  - symbol: Pt # 23    coordinates: [  0.500000000000000,  0.657393170000000,  0.000000000000000 ]    mass: 195.084000  - symbol: Pt # 24    coordinates: [  0.657393170000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000  - symbol: O  # 25    coordinates: [  0.789108810000000,  0.832309000000000,  0.503086570000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.789108810000000,  0.167691000000000,  0.496913430000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.832309000000000,  0.503086570000000,  0.789108810000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.832309000000000,  0.496913430000000,  0.210891190000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.858579310000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.894504940000000,  0.894504940000000,  0.105495060000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.894504940000000,  0.105495060000000,  0.894504940000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.996913430000000,  0.710891190000000,  0.667691000000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.996913430000000,  0.289108810000000,  0.332309000000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.641420690000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.358579310000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.358579310000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.641420690000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.003086570000000,  0.289108810000000,  0.667691000000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.003086570000000,  0.710891190000000,  0.332309000000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.105495060000000,  0.894504940000000,  0.894504940000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.105495060000000,  0.105495060000000,  0.105495060000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.141420690000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.167691000000000,  0.496913430000000,  0.789108810000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.167691000000000,  0.503086570000000,  0.210891190000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.210891190000000,  0.832309000000000,  0.496913430000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.210891190000000,  0.167691000000000,  0.503086570000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.289108810000000,  0.332309000000000,  0.996913430000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.289108810000000,  0.667691000000000,  0.003086570000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.332309000000000,  0.996913430000000,  0.289108810000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.332309000000000,  0.003086570000000,  0.710891190000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.358579310000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.394504940000000,  0.394504940000000,  0.394504940000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.394504940000000,  0.605495060000000,  0.605495060000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.496913430000000,  0.789108810000000,  0.167691000000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.496913430000000,  0.210891190000000,  0.832309000000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.858579310000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.500000000000000,  0.141420690000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.500000000000000,  0.500000000000000,  0.858579310000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.141420690000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.503086570000000,  0.789108810000000,  0.832309000000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.503086570000000,  0.210891190000000,  0.167691000000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.605495060000000,  0.394504940000000,  0.605495060000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.605495060000000,  0.605495060000000,  0.394504940000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.641420690000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.667691000000000,  0.996913430000000,  0.710891190000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.667691000000000,  0.003086570000000,  0.289108810000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.710891190000000,  0.667691000000000,  0.996913430000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.710891190000000,  0.332309000000000,  0.003086570000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.105751962388934,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.105751962388934,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.105751962388934 ] # c*unit_cell:  lattice:  - [     9.456089300000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.456089300000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.456089300000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.863774590000000,  0.863774590000000,  0.863774590000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.863774590000000,  0.136225410000000,  0.136225410000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.136225410000000,  0.863774590000000,  0.136225410000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.136225410000000,  0.136225410000000,  0.863774590000000 ]    mass: 138.905470    reduced_to: 6  - symbol: La # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 138.905470    reduced_to: 8  - symbol: La # 9    coordinates: [  0.363774590000000,  0.363774590000000,  0.636225410000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 10    coordinates: [  0.363774590000000,  0.636225410000000,  0.363774590000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 11    coordinates: [  0.636225410000000,  0.363774590000000,  0.363774590000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 12    coordinates: [  0.636225410000000,  0.636225410000000,  0.636225410000000 ]    mass: 138.905470    reduced_to: 12  - symbol: Pt # 13    coordinates: [  0.842606830000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 13  - symbol: Pt # 14    coordinates: [  0.000000000000000,  0.842606830000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 14  - symbol: Pt # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.342606830000000 ]    mass: 195.084000    reduced_to: 15  - symbol: Pt # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.657393170000000 ]    mass: 195.084000    reduced_to: 16  - symbol: Pt # 17    coordinates: [  0.000000000000000,  0.157393170000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 17  - symbol: Pt # 18    coordinates: [  0.157393170000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 18  - symbol: Pt # 19    coordinates: [  0.342606830000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 19  - symbol: Pt # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.842606830000000 ]    mass: 195.084000    reduced_to: 20  - symbol: Pt # 21    coordinates: [  0.500000000000000,  0.000000000000000,  0.157393170000000 ]    mass: 195.084000    reduced_to: 21  - symbol: Pt # 22    coordinates: [  0.500000000000000,  0.342606830000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 22  - symbol: Pt # 23    coordinates: [  0.500000000000000,  0.657393170000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 23  - symbol: Pt # 24    coordinates: [  0.657393170000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.789108810000000,  0.832309000000000,  0.503086570000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.789108810000000,  0.167691000000000,  0.496913430000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.832309000000000,  0.503086570000000,  0.789108810000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.832309000000000,  0.496913430000000,  0.210891190000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.858579310000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.894504940000000,  0.894504940000000,  0.105495060000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.894504940000000,  0.105495060000000,  0.894504940000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.996913430000000,  0.710891190000000,  0.667691000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.996913430000000,  0.289108810000000,  0.332309000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.641420690000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.358579310000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.358579310000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.641420690000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.003086570000000,  0.289108810000000,  0.667691000000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.003086570000000,  0.710891190000000,  0.332309000000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.105495060000000,  0.894504940000000,  0.894504940000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.105495060000000,  0.105495060000000,  0.105495060000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.141420690000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.167691000000000,  0.496913430000000,  0.789108810000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.167691000000000,  0.503086570000000,  0.210891190000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.210891190000000,  0.832309000000000,  0.496913430000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.210891190000000,  0.167691000000000,  0.503086570000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.289108810000000,  0.332309000000000,  0.996913430000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.289108810000000,  0.667691000000000,  0.003086570000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.332309000000000,  0.996913430000000,  0.289108810000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.332309000000000,  0.003086570000000,  0.710891190000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.358579310000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.394504940000000,  0.394504940000000,  0.394504940000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.394504940000000,  0.605495060000000,  0.605495060000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.496913430000000,  0.789108810000000,  0.167691000000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.496913430000000,  0.210891190000000,  0.832309000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.858579310000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.500000000000000,  0.141420690000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.500000000000000,  0.500000000000000,  0.858579310000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.141420690000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.503086570000000,  0.789108810000000,  0.832309000000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.503086570000000,  0.210891190000000,  0.167691000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.605495060000000,  0.394504940000000,  0.605495060000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.605495060000000,  0.605495060000000,  0.394504940000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.641420690000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.667691000000000,  0.996913430000000,  0.710891190000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.667691000000000,  0.003086570000000,  0.289108810000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.710891190000000,  0.667691000000000,  0.996913430000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.710891190000000,  0.332309000000000,  0.003086570000000 ]    mass: 15.999400    reduced_to: 68supercell:  lattice:  - [     9.456089300000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.456089300000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.456089300000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.863774590000000,  0.863774590000000,  0.863774590000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.863774590000000,  0.136225410000000,  0.136225410000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.136225410000000,  0.863774590000000,  0.136225410000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.136225410000000,  0.136225410000000,  0.863774590000000 ]    mass: 138.905470    reduced_to: 6  - symbol: La # 7    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 138.905470    reduced_to: 8  - symbol: La # 9    coordinates: [  0.363774590000000,  0.363774590000000,  0.636225410000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 10    coordinates: [  0.363774590000000,  0.636225410000000,  0.363774590000000 ]    mass: 138.905470    reduced_to: 10  - symbol: La # 11    coordinates: [  0.636225410000000,  0.363774590000000,  0.363774590000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 12    coordinates: [  0.636225410000000,  0.636225410000000,  0.636225410000000 ]    mass: 138.905470    reduced_to: 12  - symbol: Pt # 13    coordinates: [  0.842606830000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 13  - symbol: Pt # 14    coordinates: [  0.000000000000000,  0.842606830000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 14  - symbol: Pt # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.342606830000000 ]    mass: 195.084000    reduced_to: 15  - symbol: Pt # 16    coordinates: [  0.000000000000000,  0.500000000000000,  0.657393170000000 ]    mass: 195.084000    reduced_to: 16  - symbol: Pt # 17    coordinates: [  0.000000000000000,  0.157393170000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 17  - symbol: Pt # 18    coordinates: [  0.157393170000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 18  - symbol: Pt # 19    coordinates: [  0.342606830000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 19  - symbol: Pt # 20    coordinates: [  0.500000000000000,  0.000000000000000,  0.842606830000000 ]    mass: 195.084000    reduced_to: 20  - symbol: Pt # 21    coordinates: [  0.500000000000000,  0.000000000000000,  0.157393170000000 ]    mass: 195.084000    reduced_to: 21  - symbol: Pt # 22    coordinates: [  0.500000000000000,  0.342606830000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 22  - symbol: Pt # 23    coordinates: [  0.500000000000000,  0.657393170000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 23  - symbol: Pt # 24    coordinates: [  0.657393170000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.789108810000000,  0.832309000000000,  0.503086570000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.789108810000000,  0.167691000000000,  0.496913430000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.832309000000000,  0.503086570000000,  0.789108810000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.832309000000000,  0.496913430000000,  0.210891190000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.858579310000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.894504940000000,  0.894504940000000,  0.105495060000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.894504940000000,  0.105495060000000,  0.894504940000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.996913430000000,  0.710891190000000,  0.667691000000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.996913430000000,  0.289108810000000,  0.332309000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.641420690000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.358579310000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.358579310000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.641420690000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.003086570000000,  0.289108810000000,  0.667691000000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.003086570000000,  0.710891190000000,  0.332309000000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.105495060000000,  0.894504940000000,  0.894504940000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.105495060000000,  0.105495060000000,  0.105495060000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.141420690000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.167691000000000,  0.496913430000000,  0.789108810000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.167691000000000,  0.503086570000000,  0.210891190000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.210891190000000,  0.832309000000000,  0.496913430000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.210891190000000,  0.167691000000000,  0.503086570000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.289108810000000,  0.332309000000000,  0.996913430000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.289108810000000,  0.667691000000000,  0.003086570000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.332309000000000,  0.996913430000000,  0.289108810000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.332309000000000,  0.003086570000000,  0.710891190000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.358579310000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.394504940000000,  0.394504940000000,  0.394504940000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.394504940000000,  0.605495060000000,  0.605495060000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.496913430000000,  0.789108810000000,  0.167691000000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.496913430000000,  0.210891190000000,  0.832309000000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.858579310000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.500000000000000,  0.141420690000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.500000000000000,  0.500000000000000,  0.858579310000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.141420690000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.503086570000000,  0.789108810000000,  0.832309000000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.503086570000000,  0.210891190000000,  0.167691000000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.605495060000000,  0.394504940000000,  0.605495060000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.605495060000000,  0.605495060000000,  0.394504940000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.641420690000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.667691000000000,  0.996913430000000,  0.710891190000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.667691000000000,  0.003086570000000,  0.289108810000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.710891190000000,  0.667691000000000,  0.996913430000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.710891190000000,  0.332309000000000,  0.003086570000000 ]    mass: 15.999400    reduced_to: 68displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0985065600000000, -0.0127870500000000,  0.0127946500000000 ]  - [  -0.0016386300000000,  0.0018174300000000, -0.0014333500000000 ]  - [  -0.0016931700000000, -0.0006804300000000, -0.0115190300000000 ]  - [  -0.0024702600000000,  0.0113646100000000,  0.0004296500000000 ]  - [   0.0188971000000000,  0.0034105100000000, -0.0033557200000000 ]  - [   0.0012151700000000,  0.0012717000000000, -0.0017132100000000 ]  - [   0.0023880400000000,  0.0023161900000000,  0.0018185500000000 ]  - [   0.0018203000000000, -0.0014267900000000, -0.0023331200000000 ]  - [   0.0010957500000000,  0.0011606800000000, -0.0016128400000000 ]  - [   0.0185834100000000,  0.0034071800000000, -0.0033248900000000 ]  - [  -0.0023114000000000,  0.0112520600000000,  0.0003174100000000 ]  - [  -0.0015457500000000, -0.0005501500000000, -0.0114344000000000 ]  - [  -0.0040498600000000, -0.0029009300000000, -0.0055816400000000 ]  - [   0.0064977400000000,  0.0096144100000000,  0.0141332200000000 ]  - [   0.0066452900000000, -0.0172271500000000,  0.0020395500000000 ]  - [   0.0004458800000000,  0.0000793500000000, -0.0001733600000000 ]  - [  -0.0007586800000000,  0.0025261400000000,  0.0022305400000000 ]  - [   0.0023947800000000, -0.0013697000000000, -0.0000642700000000 ]  - [   0.0023770100000000, -0.0013473600000000, -0.0000662000000000 ]  - [   0.0004722600000000,  0.0000916900000000, -0.0001900700000000 ]  - [   0.0066856600000000, -0.0171265600000000,  0.0021315000000000 ]  - [  -0.0007434000000000,  0.0024847600000000,  0.0022128700000000 ]  - [   0.0065735900000000,  0.0095355500000000,  0.0140355600000000 ]  - [  -0.0039501300000000, -0.0029195700000000, -0.0056597800000000 ]  - [   0.0006018200000000,  0.0007843800000000,  0.0025469600000000 ]  - [   0.0007725900000000, -0.0007084500000000,  0.0003342300000000 ]  - [  -0.0001628300000000, -0.0005580000000000,  0.0006267500000000 ]  - [   0.0017490200000000, -0.0046546000000000, -0.0022357900000000 ]  - [  -0.0001725000000000,  0.0005086000000000,  0.0002641200000000 ]  - [   0.0104317800000000,  0.0054630700000000, -0.0056512300000000 ]  - [   0.0002347800000000, -0.0021665600000000,  0.0023348400000000 ]  - [  -0.0006975200000000,  0.0003662400000000,  0.0005816600000000 ]  - [  -0.0005856500000000,  0.0020798400000000, -0.0012342900000000 ]  - [  -0.0017526500000000,  0.0051475100000000,  0.0031340400000000 ]  - [   0.0005637500000000,  0.0000440700000000,  0.0002834400000000 ]  - [  -0.0013271000000000, -0.0021244500000000, -0.0042427600000000 ]  - [  -0.0004119100000000, -0.0028509800000000,  0.0010793300000000 ]  - [   0.0001418500000000, -0.0009305600000000, -0.0004994200000000 ]  - [   0.0162486600000000,  0.0016113200000000, -0.0015393500000000 ]  - [  -0.0021086400000000, -0.0001616400000000,  0.0029029300000000 ]  - [  -0.0021542000000000, -0.0027793000000000,  0.0001088700000000 ]  - [   0.0007607000000000,  0.0006743000000000,  0.0002266800000000 ]  - [  -0.0000093800000000,  0.0000771400000000,  0.0002192500000000 ]  - [  -0.0003670700000000,  0.0001909800000000, -0.0002637800000000 ]  - [   0.0003977100000000, -0.0007186500000000, -0.0004784700000000 ]  - [  -0.0005730900000000, -0.0002273400000000, -0.0003426500000000 ]  - [  -0.0005975200000000, -0.0002419000000000, -0.0004090900000000 ]  - [   0.0003395300000000, -0.0007137200000000, -0.0004153900000000 ]  - [  -0.0003798700000000,  0.0001233100000000, -0.0002736000000000 ]  - [  -0.0000186500000000,  0.0001332600000000,  0.0002186800000000 ]  - [   0.0008820200000000,  0.0006836100000000,  0.0002155700000000 ]  - [  -0.0021809200000000, -0.0027875900000000,  0.0000747800000000 ]  - [  -0.0021429900000000, -0.0001260500000000,  0.0029149700000000 ]  - [   0.0150086100000000,  0.0017880300000000, -0.0019213300000000 ]  - [   0.0000816900000000, -0.0009237300000000, -0.0004881900000000 ]  - [  -0.0017128000000000,  0.0052176000000000,  0.0030902800000000 ]  - [   0.0005469500000000, -0.0000865900000000,  0.0002858900000000 ]  - [  -0.0004098700000000, -0.0027958400000000,  0.0012137200000000 ]  - [  -0.0013335300000000, -0.0020865100000000, -0.0043439800000000 ]  - [  -0.0006421800000000,  0.0003650000000000,  0.0005858700000000 ]  - [  -0.0005373700000000,  0.0020322000000000, -0.0012388000000000 ]  - [   0.0002611100000000, -0.0021993400000000,  0.0023689500000000 ]  - [   0.0100818800000000,  0.0050521900000000, -0.0052433900000000 ]  - [  -0.0002994200000000,  0.0005217800000000,  0.0002495100000000 ]  - [  -0.0001651700000000, -0.0006079800000000,  0.0006365600000000 ]  - [   0.0017411100000000, -0.0044232000000000, -0.0021636400000000 ]  - [   0.0006700500000000,  0.0007276400000000,  0.0024179600000000 ]  - [   0.0008031000000000, -0.0007156800000000,  0.0003876900000000 ]- atom:    3  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0015833700000000, -0.0003509900000000, -0.0034411700000000 ]  - [  -0.0023388800000000, -0.0033669700000000, -0.0005662000000000 ]  - [  -0.1107581000000000, -0.0277285400000000, -0.0276507300000000 ]  - [  -0.0050513400000000,  0.0008768600000000,  0.0011043700000000 ]  - [   0.0093251200000000, -0.0011878700000000,  0.0264709300000000 ]  - [   0.0101931200000000,  0.0264653600000000, -0.0009631000000000 ]  - [   0.0011444300000000,  0.0016579100000000,  0.0012206000000000 ]  - [   0.0188809400000000, -0.0115536100000000, -0.0114244900000000 ]  - [   0.0004190400000000,  0.0001287100000000, -0.0002376100000000 ]  - [   0.0003929700000000, -0.0004451300000000,  0.0001433100000000 ]  - [   0.0006371500000000,  0.0002503700000000,  0.0004204100000000 ]  - [   0.0056248000000000,  0.0076626000000000,  0.0076483600000000 ]  - [  -0.0095373700000000,  0.0019478600000000, -0.0004433300000000 ]  - [  -0.0023956000000000,  0.0010955000000000, -0.0050083000000000 ]  - [  -0.0002334300000000,  0.0000847000000000,  0.0007260600000000 ]  - [  -0.0004051200000000, -0.0038544300000000,  0.0008916500000000 ]  - [   0.0000486000000000,  0.0028463300000000, -0.0019222800000000 ]  - [   0.0018078400000000, -0.0021718100000000,  0.0006521200000000 ]  - [  -0.0001651900000000,  0.0003085500000000, -0.0009696400000000 ]  - [   0.0156161800000000, -0.0054591700000000, -0.0006184300000000 ]  - [   0.0052177200000000,  0.0012292300000000, -0.0046316800000000 ]  - [   0.0001925000000000,  0.0004663200000000, -0.0004750400000000 ]  - [   0.0090229900000000,  0.0022900400000000, -0.0030680700000000 ]  - [  -0.0016223700000000, -0.0010976400000000,  0.0085864200000000 ]  - [  -0.0002375200000000,  0.0004952600000000, -0.0023317200000000 ]  - [  -0.0007226900000000, -0.0001366700000000, -0.0002062500000000 ]  - [   0.0010134700000000, -0.0018311700000000,  0.0002666100000000 ]  - [   0.0001239100000000, -0.0003159700000000, -0.0003456800000000 ]  - [  -0.0009842900000000,  0.0000955800000000, -0.0003311600000000 ]  - [   0.0149030900000000,  0.0022482000000000,  0.0083715300000000 ]  - [   0.0143907900000000,  0.0074857200000000,  0.0022097700000000 ]  - [   0.0068979800000000, -0.0017751500000000, -0.0009057000000000 ]  - [  -0.0000621700000000, -0.0017976600000000,  0.0002747300000000 ]  - [   0.0035527600000000,  0.0058283200000000, -0.0005669700000000 ]  - [   0.0024218900000000,  0.0001106800000000, -0.0004592500000000 ]  - [   0.0003726400000000, -0.0012677600000000, -0.0008699900000000 ]  - [   0.0036380600000000,  0.0004521400000000,  0.0039213500000000 ]  - [   0.0008015800000000,  0.0005897600000000,  0.0008349100000000 ]  - [   0.0011884400000000,  0.0013417900000000, -0.0010846200000000 ]  - [   0.0341712500000000,  0.0039030000000000,  0.0045802300000000 ]  - [   0.0002724000000000, -0.0038349200000000, -0.0038974300000000 ]  - [   0.0002527600000000,  0.0001360700000000,  0.0000352400000000 ]  - [   0.0014502500000000,  0.0007165700000000, -0.0003684500000000 ]  - [   0.0007266500000000,  0.0000234200000000,  0.0004030800000000 ]  - [   0.0012513200000000, -0.0010134600000000,  0.0008117900000000 ]  - [   0.0006352800000000,  0.0003630000000000,  0.0002938500000000 ]  - [  -0.0018381600000000, -0.0016896500000000, -0.0007466400000000 ]  - [  -0.0027195500000000,  0.0015590900000000, -0.0009602200000000 ]  - [  -0.0015434900000000, -0.0008178700000000,  0.0019981300000000 ]  - [  -0.0022282500000000, -0.0006587600000000,  0.0005290800000000 ]  - [  -0.0023896300000000, -0.0007016400000000,  0.0004612200000000 ]  - [  -0.0004212600000000, -0.0001344500000000, -0.0002347300000000 ]  - [  -0.0031679200000000,  0.0015597500000000,  0.0015320600000000 ]  - [  -0.0007635800000000, -0.0000862300000000, -0.0002075800000000 ]  - [  -0.0007292600000000, -0.0004008500000000,  0.0004883500000000 ]  - [  -0.0001810200000000,  0.0005944600000000, -0.0004962800000000 ]  - [  -0.0000850400000000, -0.0000263100000000, -0.0002944700000000 ]  - [  -0.0006806200000000,  0.0003353300000000,  0.0006218400000000 ]  - [  -0.0000987000000000, -0.0001032700000000, -0.0007960000000000 ]  - [  -0.0080054100000000,  0.0003721100000000,  0.0013223300000000 ]  - [  -0.0004301800000000, -0.0004281100000000,  0.0001951200000000 ]  - [  -0.0004445100000000, -0.0014635900000000,  0.0000234700000000 ]  - [  -0.0005133800000000, -0.0000791200000000, -0.0014093800000000 ]  - [  -0.0077669600000000,  0.0026490200000000,  0.0025580100000000 ]  - [  -0.0001461200000000,  0.0012852000000000, -0.0011714000000000 ]  - [   0.0003360200000000,  0.0001035800000000, -0.0024063700000000 ]  - [   0.0011506900000000, -0.0034527000000000,  0.0014609400000000 ]  - [   0.0021758400000000, -0.0003269100000000,  0.0004525300000000 ]- atom:    3  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0016527400000000,  0.0003694600000000,  0.0033992100000000 ]  - [   0.0024139500000000,  0.0033313300000000,  0.0006270300000000 ]  - [   0.1077085000000000,  0.0270492900000000,  0.0271099300000000 ]  - [   0.0049058900000000, -0.0008712900000000, -0.0010994400000000 ]  - [  -0.0091623300000000,  0.0010294400000000, -0.0258906900000000 ]  - [  -0.0100134600000000, -0.0259094100000000,  0.0007868300000000 ]  - [  -0.0011329400000000, -0.0016449700000000, -0.0011779600000000 ]  - [  -0.0185562800000000,  0.0113852900000000,  0.0111937100000000 ]  - [  -0.0005700900000000, -0.0003135000000000,  0.0003599100000000 ]  - [  -0.0005266000000000,  0.0005868000000000, -0.0002885600000000 ]  - [  -0.0004917600000000, -0.0003738500000000, -0.0005846000000000 ]  - [  -0.0054522900000000, -0.0075513200000000, -0.0075613100000000 ]  - [   0.0095187600000000, -0.0019033700000000,  0.0004153100000000 ]  - [   0.0023727600000000, -0.0011169900000000,  0.0050211900000000 ]  - [   0.0002312800000000, -0.0000967800000000, -0.0007499200000000 ]  - [   0.0004134800000000,  0.0038796100000000, -0.0008975700000000 ]  - [   0.0000126800000000, -0.0028441900000000,  0.0019365000000000 ]  - [  -0.0018421500000000,  0.0021627800000000, -0.0006085900000000 ]  - [   0.0001565900000000, -0.0002940000000000,  0.0009400900000000 ]  - [  -0.0157117600000000,  0.0055640000000000,  0.0005670300000000 ]  - [  -0.0052336600000000, -0.0012105000000000,  0.0047066800000000 ]  - [  -0.0001836100000000, -0.0004716800000000,  0.0004871200000000 ]  - [  -0.0090085900000000, -0.0023601700000000,  0.0031426200000000 ]  - [   0.0016318600000000,  0.0011241200000000, -0.0086102600000000 ]  - [   0.0002389600000000, -0.0004960800000000,  0.0023736400000000 ]  - [   0.0007174700000000,  0.0001314300000000,  0.0001355700000000 ]  - [  -0.0010190100000000,  0.0018717600000000, -0.0002610200000000 ]  - [  -0.0001129300000000,  0.0002517900000000,  0.0003449000000000 ]  - [   0.0011277700000000, -0.0000997300000000,  0.0003206500000000 ]  - [  -0.0149359200000000, -0.0022586800000000, -0.0081518200000000 ]  - [  -0.0143848300000000, -0.0072740200000000, -0.0022226700000000 ]  - [  -0.0068425000000000,  0.0016310500000000,  0.0007500200000000 ]  - [  -0.0000060000000000,  0.0018088600000000, -0.0002648700000000 ]  - [  -0.0033477500000000, -0.0060479000000000,  0.0006348200000000 ]  - [  -0.0024013500000000,  0.0000437800000000,  0.0004600400000000 ]  - [  -0.0003591400000000,  0.0012737800000000,  0.0010141100000000 ]  - [  -0.0035673100000000, -0.0003670100000000, -0.0041548500000000 ]  - [  -0.0007265600000000, -0.0006169400000000, -0.0008359100000000 ]  - [  -0.0011167100000000, -0.0013370600000000,  0.0010879600000000 ]  - [  -0.0316032200000000, -0.0036167400000000, -0.0042518700000000 ]  - [  -0.0001881600000000,  0.0038175000000000,  0.0038868200000000 ]  - [  -0.0003900800000000, -0.0001414800000000, -0.0000497900000000 ]  - [  -0.0014381000000000, -0.0007700900000000,  0.0003816200000000 ]  - [  -0.0007283900000000,  0.0000429900000000, -0.0004100500000000 ]  - [  -0.0012347800000000,  0.0010132400000000, -0.0008672100000000 ]  - [  -0.0006329700000000, -0.0003615300000000, -0.0002219400000000 ]  - [   0.0018348500000000,  0.0016634500000000,  0.0006734200000000 ]  - [   0.0026696500000000, -0.0015152600000000,  0.0010019800000000 ]  - [   0.0015434300000000,  0.0007349700000000, -0.0019990200000000 ]  - [   0.0021880900000000,  0.0007077900000000, -0.0005023000000000 ]  - [   0.0024960700000000,  0.0006980100000000, -0.0004751300000000 ]  - [   0.0003913900000000,  0.0001027000000000,  0.0002029600000000 ]  - [   0.0031102300000000, -0.0014929900000000, -0.0014741000000000 ]  - [   0.0007033000000000,  0.0000860100000000,  0.0002157400000000 ]  - [   0.0006542800000000,  0.0004089500000000, -0.0004989100000000 ]  - [   0.0001817500000000, -0.0004608700000000,  0.0004931900000000 ]  - [   0.0000803000000000, -0.0001167700000000,  0.0002881100000000 ]  - [   0.0006795100000000, -0.0003351200000000, -0.0004914100000000 ]  - [   0.0000958800000000,  0.0001078000000000,  0.0006754900000000 ]  - [   0.0081396500000000, -0.0003818700000000, -0.0013674100000000 ]  - [   0.0004951700000000,  0.0004358900000000, -0.0001892900000000 ]  - [   0.0004634000000000,  0.0014487700000000, -0.0000017500000000 ]  - [   0.0005376100000000,  0.0001103000000000,  0.0013890300000000 ]  - [   0.0074914700000000, -0.0026117600000000, -0.0024280600000000 ]  - [  -0.0001076500000000, -0.0012036400000000,  0.0009440300000000 ]  - [  -0.0003650100000000, -0.0000466700000000,  0.0024286200000000 ]  - [  -0.0012910400000000,  0.0032959100000000, -0.0014240900000000 ]  - [  -0.0021737500000000,  0.0003454200000000, -0.0003835500000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0040302000000000, -0.0020318800000000, -0.0095469000000000 ]  - [  -0.0040302000000000,  0.0020318800000000,  0.0095469000000000 ]  - [  -0.0096039100000000, -0.0005993600000000,  0.0010299900000000 ]  - [  -0.0096039100000000,  0.0005993600000000, -0.0010299900000000 ]  - [   0.0019034900000000,  0.0046378600000000,  0.0029002500000000 ]  - [   0.0019034900000000, -0.0046378600000000, -0.0029002500000000 ]  - [   0.0023843600000000,  0.0001686700000000,  0.0025130000000000 ]  - [   0.0023843600000000, -0.0001686700000000, -0.0025130000000000 ]  - [  -0.0002108900000000,  0.0006767300000000, -0.0004064700000000 ]  - [  -0.0002108900000000, -0.0006767300000000,  0.0004064700000000 ]  - [  -0.0015753600000000, -0.0009664000000000, -0.0023575900000000 ]  - [  -0.0015753600000000,  0.0009664000000000,  0.0023575900000000 ]  - [  -0.4602945400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002689900000000,  0.0006397600000000,  0.0000823500000000 ]  - [  -0.0116267800000000,  0.0001464800000000,  0.0166714000000000 ]  - [  -0.0116267800000000, -0.0001464800000000, -0.0166714000000000 ]  - [  -0.0002689900000000, -0.0006397600000000, -0.0000823500000000 ]  - [   0.0699330400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003049000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014298700000000, -0.0000442200000000,  0.0006395500000000 ]  - [   0.0014298700000000,  0.0000442200000000, -0.0006395500000000 ]  - [   0.0136523600000000,  0.0163181800000000, -0.0006989700000000 ]  - [   0.0136523600000000, -0.0163181800000000,  0.0006989700000000 ]  - [  -0.0000513300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003244300000000,  0.0002304300000000,  0.0009424600000000 ]  - [   0.0003244300000000, -0.0002304300000000, -0.0009424600000000 ]  - [   0.0531262100000000, -0.0021233400000000,  0.0173217000000000 ]  - [   0.0531262100000000,  0.0021233400000000, -0.0173217000000000 ]  - [   0.0010496900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0035896800000000, -0.0008355400000000, -0.0000542700000000 ]  - [   0.0035896800000000,  0.0008355400000000,  0.0000542700000000 ]  - [  -0.0002600400000000, -0.0004043800000000,  0.0012423100000000 ]  - [  -0.0002600400000000,  0.0004043800000000, -0.0012423100000000 ]  - [   0.0802867800000000,  0.0457326700000000, -0.0015931500000000 ]  - [   0.0802867800000000, -0.0457326700000000,  0.0015931500000000 ]  - [   0.0003453600000000, -0.0001010100000000, -0.0001557000000000 ]  - [   0.0003453600000000,  0.0001010100000000,  0.0001557000000000 ]  - [   0.0002480500000000,  0.0002913600000000,  0.0012043700000000 ]  - [   0.0002480500000000, -0.0002913600000000, -0.0012043700000000 ]  - [   0.0004348500000000, -0.0024353900000000,  0.0019036300000000 ]  - [   0.0004348500000000,  0.0024353900000000, -0.0019036300000000 ]  - [   0.0105127800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001664700000000, -0.0002809400000000, -0.0009944100000000 ]  - [   0.0001664700000000,  0.0002809400000000,  0.0009944100000000 ]  - [   0.0001246300000000,  0.0000582800000000, -0.0001624500000000 ]  - [   0.0001246300000000, -0.0000582800000000,  0.0001624500000000 ]  - [  -0.0061765000000000, -0.0022504100000000, -0.0005635900000000 ]  - [  -0.0061765000000000,  0.0022504100000000,  0.0005635900000000 ]  - [  -0.0003193800000000, -0.0002028700000000, -0.0003428700000000 ]  - [  -0.0003193800000000,  0.0002028700000000,  0.0003428700000000 ]  - [  -0.0004182700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0007308800000000, -0.0006648000000000, -0.0003071300000000 ]  - [   0.0007308800000000,  0.0006648000000000,  0.0003071300000000 ]  - [  -0.0005503700000000,  0.0011314500000000, -0.0009853000000000 ]  - [  -0.0005503700000000, -0.0011314500000000,  0.0009853000000000 ]  - [   0.0000020800000000, -0.0002216400000000,  0.0000511100000000 ]  - [   0.0000020800000000,  0.0002216400000000, -0.0000511100000000 ]  - [  -0.0037953200000000,  0.0002052200000000,  0.0022952800000000 ]  - [  -0.0037953200000000, -0.0002052200000000, -0.0022952800000000 ]  - [  -0.0011746200000000,  0.0013435600000000,  0.0003356200000000 ]  - [  -0.0011746200000000, -0.0013435600000000, -0.0003356200000000 ]  - [   0.0008008000000000,  0.0011004300000000,  0.0000011400000000 ]  - [   0.0008008000000000, -0.0011004300000000, -0.0000011400000000 ]  - [  -0.0019902300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001742200000000, -0.0002235700000000,  0.0006192300000000 ]  - [  -0.0001742200000000,  0.0002235700000000, -0.0006192300000000 ]  - [   0.0709981800000000, -0.0267309300000000,  0.0025675000000000 ]  - [   0.0709981800000000,  0.0267309300000000, -0.0025675000000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0039963000000000,  0.0021323700000000,  0.0095999800000000 ]  - [   0.0039963000000000, -0.0021323700000000, -0.0095999800000000 ]  - [   0.0094555700000000,  0.0005742200000000, -0.0011816500000000 ]  - [   0.0094555700000000, -0.0005742200000000,  0.0011816500000000 ]  - [  -0.0017460900000000, -0.0047041600000000, -0.0027827500000000 ]  - [  -0.0017460900000000,  0.0047041600000000,  0.0027827500000000 ]  - [  -0.0023774000000000, -0.0002025600000000, -0.0024934000000000 ]  - [  -0.0023774000000000,  0.0002025600000000,  0.0024934000000000 ]  - [   0.0001022800000000, -0.0008128200000000,  0.0005231500000000 ]  - [   0.0001022800000000,  0.0008128200000000, -0.0005231500000000 ]  - [   0.0016892900000000,  0.0008241000000000,  0.0022932000000000 ]  - [   0.0016892900000000, -0.0008241000000000, -0.0022932000000000 ]  - [   0.4548726100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002563700000000, -0.0006395200000000, -0.0000801600000000 ]  - [   0.0116777600000000, -0.0001273100000000, -0.0164478100000000 ]  - [   0.0116777600000000,  0.0001273100000000,  0.0164478100000000 ]  - [   0.0002563700000000,  0.0006395200000000,  0.0000801600000000 ]  - [  -0.0687758000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002946600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014292800000000,  0.0000415500000000, -0.0006421600000000 ]  - [  -0.0014292800000000, -0.0000415500000000,  0.0006421600000000 ]  - [  -0.0137103000000000, -0.0167980500000000,  0.0007013300000000 ]  - [  -0.0137103000000000,  0.0167980500000000, -0.0007013300000000 ]  - [   0.0000736600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003294100000000, -0.0002253200000000, -0.0008913600000000 ]  - [  -0.0003294100000000,  0.0002253200000000,  0.0008913600000000 ]  - [  -0.0529912800000000,  0.0022533400000000, -0.0173111500000000 ]  - [  -0.0529912800000000, -0.0022533400000000,  0.0173111500000000 ]  - [  -0.0009618000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0036192800000000,  0.0007713200000000,  0.0000761700000000 ]  - [  -0.0036192800000000, -0.0007713200000000, -0.0000761700000000 ]  - [   0.0002009600000000,  0.0004248700000000, -0.0012209100000000 ]  - [   0.0002009600000000, -0.0004248700000000,  0.0012209100000000 ]  - [  -0.0765767200000000, -0.0424512400000000,  0.0016023900000000 ]  - [  -0.0765767200000000,  0.0424512400000000, -0.0016023900000000 ]  - [  -0.0003455500000000,  0.0000981300000000,  0.0002803700000000 ]  - [  -0.0003455500000000, -0.0000981300000000, -0.0002803700000000 ]  - [  -0.0001778200000000, -0.0003054300000000, -0.0011796400000000 ]  - [  -0.0001778200000000,  0.0003054300000000,  0.0011796400000000 ]  - [  -0.0004218800000000,  0.0023775400000000, -0.0019262100000000 ]  - [  -0.0004218800000000, -0.0023775400000000,  0.0019262100000000 ]  - [  -0.0107144700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001343900000000,  0.0002133200000000,  0.0009624600000000 ]  - [  -0.0001343900000000, -0.0002133200000000, -0.0009624600000000 ]  - [  -0.0001189200000000, -0.0000521700000000,  0.0001062500000000 ]  - [  -0.0001189200000000,  0.0000521700000000, -0.0001062500000000 ]  - [   0.0060999400000000,  0.0023251500000000,  0.0004929400000000 ]  - [   0.0060999400000000, -0.0023251500000000, -0.0004929400000000 ]  - [   0.0003053300000000,  0.0001374500000000,  0.0003384800000000 ]  - [   0.0003053300000000, -0.0001374500000000, -0.0003384800000000 ]  - [   0.0005439400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007754000000000,  0.0006402000000000,  0.0002739000000000 ]  - [  -0.0007754000000000, -0.0006402000000000, -0.0002739000000000 ]  - [   0.0004686500000000, -0.0011462900000000,  0.0009909500000000 ]  - [   0.0004686500000000,  0.0011462900000000, -0.0009909500000000 ]  - [  -0.0000009300000000,  0.0003587300000000, -0.0000476500000000 ]  - [  -0.0000009300000000, -0.0003587300000000,  0.0000476500000000 ]  - [   0.0038309600000000, -0.0002043900000000, -0.0021898900000000 ]  - [   0.0038309600000000,  0.0002043900000000,  0.0021898900000000 ]  - [   0.0012221800000000, -0.0013544400000000, -0.0003391500000000 ]  - [   0.0012221800000000,  0.0013544400000000,  0.0003391500000000 ]  - [  -0.0007560500000000, -0.0011287600000000,  0.0000524300000000 ]  - [  -0.0007560500000000,  0.0011287600000000, -0.0000524300000000 ]  - [   0.0018751200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001844200000000,  0.0001611700000000, -0.0006103600000000 ]  - [   0.0001844200000000, -0.0001611700000000,  0.0006103600000000 ]  - [  -0.0725832700000000,  0.0290927400000000, -0.0027195300000000 ]  - [  -0.0725832700000000, -0.0290927400000000,  0.0027195300000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0029616500000000,  0.0067641600000000,  0.0141427600000000 ]  - [   0.0028717200000000,  0.0065530100000000,  0.0140166700000000 ]  - [   0.0018618800000000,  0.0156744000000000, -0.0051114500000000 ]  - [  -0.0019796400000000,  0.0156372400000000, -0.0048997300000000 ]  - [   0.0022446600000000,  0.0051678500000000,  0.0019999400000000 ]  - [  -0.0020793100000000,  0.0052922100000000,  0.0018535100000000 ]  - [  -0.0013638000000000,  0.0004295500000000, -0.0022104900000000 ]  - [   0.0013530300000000,  0.0004617900000000, -0.0022254700000000 ]  - [   0.0002128400000000, -0.0003175600000000,  0.0005475100000000 ]  - [  -0.0003813700000000, -0.0001477100000000,  0.0004135500000000 ]  - [   0.0011218000000000, -0.0005105800000000, -0.0031408200000000 ]  - [  -0.0010850000000000, -0.0002978900000000, -0.0030830100000000 ]  - [   0.0001787700000000, -0.4227114200000000,  0.0017054900000000 ]  - [   0.0010958400000000,  0.0014321200000000, -0.0001792300000000 ]  - [  -0.0004117400000000, -0.0002692100000000,  0.0006848000000000 ]  - [   0.0004313200000000, -0.0002851300000000,  0.0007191900000000 ]  - [  -0.0011040200000000,  0.0014212500000000, -0.0001680100000000 ]  - [  -0.0001937300000000, -0.0153001000000000,  0.0003555100000000 ]  - [  -0.0000126300000000,  0.0003947600000000, -0.0002421100000000 ]  - [  -0.0001794700000000,  0.0017206800000000,  0.0000775000000000 ]  - [   0.0001635000000000,  0.0017184600000000,  0.0000841200000000 ]  - [   0.0101495300000000, -0.0116269600000000,  0.0004086400000000 ]  - [  -0.0101289600000000, -0.0116799300000000,  0.0004354900000000 ]  - [   0.0000004900000000,  0.0011600900000000, -0.0000923300000000 ]  - [  -0.0006004400000000, -0.0007340400000000, -0.0010698000000000 ]  - [   0.0005841400000000, -0.0007084800000000, -0.0011219500000000 ]  - [  -0.0009467500000000,  0.0249393300000000, -0.0004817900000000 ]  - [   0.0010778100000000,  0.0248092800000000, -0.0010404700000000 ]  - [   0.0000871800000000,  0.0005595800000000, -0.0004861200000000 ]  - [  -0.0006921600000000, -0.0069588300000000, -0.0017672300000000 ]  - [   0.0006363600000000, -0.0068542300000000, -0.0017754900000000 ]  - [  -0.0002149400000000,  0.0000542800000000,  0.0015675300000000 ]  - [   0.0001107500000000,  0.0000165000000000,  0.0015069700000000 ]  - [   0.0563298100000000,  0.0850155900000000, -0.0015965400000000 ]  - [  -0.0531272400000000,  0.0827804800000000, -0.0016352000000000 ]  - [   0.0002870000000000, -0.0008572000000000,  0.0002564000000000 ]  - [  -0.0002936200000000, -0.0008696400000000,  0.0001664000000000 ]  - [   0.0004448500000000,  0.0003959900000000, -0.0015791000000000 ]  - [  -0.0003943800000000,  0.0004476900000000, -0.0016163700000000 ]  - [  -0.0011881400000000, -0.0030596200000000,  0.0006294600000000 ]  - [   0.0012039800000000, -0.0030524000000000,  0.0006737800000000 ]  - [  -0.0000872400000000,  0.0010515200000000, -0.0006167700000000 ]  - [  -0.0000171600000000, -0.0011064800000000, -0.0001586000000000 ]  - [   0.0000341100000000, -0.0010339700000000, -0.0001016800000000 ]  - [   0.0001153100000000, -0.0003529000000000,  0.0002584200000000 ]  - [  -0.0000974200000000, -0.0003354700000000,  0.0003208600000000 ]  - [  -0.0065331500000000,  0.0060590000000000, -0.0000304600000000 ]  - [   0.0066036500000000,  0.0061007600000000,  0.0000292000000000 ]  - [  -0.0002408300000000, -0.0005678300000000, -0.0001260500000000 ]  - [   0.0002396800000000, -0.0005109200000000, -0.0001290300000000 ]  - [   0.0000634700000000,  0.0000411400000000,  0.0001451000000000 ]  - [  -0.0001152700000000,  0.0004451400000000,  0.0000041700000000 ]  - [   0.0001157800000000,  0.0004559700000000,  0.0000295800000000 ]  - [   0.0006877900000000, -0.0001185200000000,  0.0010757100000000 ]  - [  -0.0007434900000000, -0.0000713300000000,  0.0010520400000000 ]  - [   0.0000939500000000,  0.0002226700000000,  0.0000321100000000 ]  - [  -0.0000789900000000,  0.0001177400000000,  0.0000286600000000 ]  - [   0.0000118600000000,  0.0000236800000000, -0.0001801400000000 ]  - [  -0.0000464000000000,  0.0000074900000000, -0.0002797600000000 ]  - [   0.0012363100000000,  0.0000689700000000, -0.0007286600000000 ]  - [  -0.0011643900000000,  0.0000956400000000, -0.0006867600000000 ]  - [  -0.0001443000000000,  0.0011637000000000, -0.0001616100000000 ]  - [   0.0002170900000000,  0.0011762700000000, -0.0002015800000000 ]  - [  -0.0000604900000000, -0.0010775000000000, -0.0007202500000000 ]  - [   0.0002794600000000, -0.0014272700000000,  0.0004374000000000 ]  - [  -0.0002537600000000, -0.0013723900000000,  0.0004244300000000 ]  - [  -0.0348800500000000,  0.0992777700000000, -0.0033062900000000 ]  - [   0.0316561800000000,  0.0950617100000000, -0.0031325600000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0056830900000000,  0.0172814500000000,  0.0066376300000000 ]  - [   0.0055522400000000,  0.0170797400000000,  0.0064289800000000 ]  - [  -0.0004868100000000, -0.0054910400000000, -0.0024460400000000 ]  - [   0.0003678900000000, -0.0055314600000000, -0.0023109700000000 ]  - [   0.0007355200000000, -0.0012643400000000,  0.0000850800000000 ]  - [  -0.0004989200000000, -0.0011754600000000, -0.0000486300000000 ]  - [   0.0001239900000000,  0.0000988700000000, -0.0007719600000000 ]  - [  -0.0000242800000000,  0.0000702800000000, -0.0007694200000000 ]  - [   0.0009000700000000, -0.0001449900000000,  0.0002812300000000 ]  - [  -0.0010044100000000, -0.0000359800000000,  0.0001164000000000 ]  - [  -0.0085948100000000, -0.0039404300000000,  0.0090137600000000 ]  - [   0.0086052900000000, -0.0037890400000000,  0.0090103900000000 ]  - [   0.0006564900000000,  0.0017066600000000, -0.3838369900000000 ]  - [   0.0004766500000000, -0.0000426100000000,  0.0017214500000000 ]  - [   0.0099766400000000, -0.0000026100000000,  0.0137338400000000 ]  - [  -0.0102962900000000, -0.0001331800000000,  0.0136171300000000 ]  - [  -0.0005022700000000, -0.0000446500000000,  0.0017191900000000 ]  - [   0.0001829300000000, -0.0003582100000000, -0.0052440600000000 ]  - [   0.0000078800000000,  0.0002401100000000,  0.0002356900000000 ]  - [   0.0010861600000000,  0.0004902200000000, -0.0002732400000000 ]  - [  -0.0011128400000000,  0.0004911800000000, -0.0002498300000000 ]  - [   0.0000113300000000, -0.0001402300000000, -0.0002539300000000 ]  - [  -0.0001244100000000, -0.0001360400000000, -0.0002982500000000 ]  - [  -0.0000049600000000, -0.0000949000000000,  0.0019704100000000 ]  - [  -0.0001283100000000,  0.0001248900000000, -0.0015764600000000 ]  - [   0.0000890100000000,  0.0001636600000000, -0.0016355000000000 ]  - [   0.0049695700000000, -0.0040703300000000,  0.1163081200000000 ]  - [  -0.0052069300000000, -0.0043341200000000,  0.1248152800000000 ]  - [   0.0000358700000000, -0.0006884200000000, -0.0013192800000000 ]  - [  -0.0016804600000000, -0.0006153900000000,  0.0019570000000000 ]  - [   0.0016389000000000, -0.0005935700000000,  0.0019419900000000 ]  - [   0.0012304600000000, -0.0012214700000000, -0.0020328500000000 ]  - [  -0.0012900500000000, -0.0012063300000000, -0.0020671600000000 ]  - [   0.0016398400000000,  0.0037906300000000,  0.0288381200000000 ]  - [  -0.0022213500000000,  0.0041737100000000,  0.0287766400000000 ]  - [  -0.0000752200000000,  0.0000907500000000,  0.0011168300000000 ]  - [   0.0000748400000000,  0.0000874000000000,  0.0009500500000000 ]  - [   0.0003520700000000,  0.0013237700000000, -0.0019948500000000 ]  - [  -0.0002685500000000,  0.0012529900000000, -0.0020287600000000 ]  - [  -0.0001451600000000, -0.0011436800000000,  0.0000263200000000 ]  - [   0.0001164800000000, -0.0010761700000000,  0.0000274900000000 ]  - [   0.0000144100000000,  0.0010201900000000, -0.0068091200000000 ]  - [  -0.0010432000000000,  0.0001351200000000,  0.0008370500000000 ]  - [   0.0011329500000000,  0.0002106700000000,  0.0009049700000000 ]  - [  -0.0002514600000000, -0.0001553200000000, -0.0002667700000000 ]  - [   0.0002764400000000, -0.0001185300000000, -0.0001919300000000 ]  - [  -0.0004266200000000, -0.0007952800000000, -0.0004754200000000 ]  - [   0.0003789800000000, -0.0007475800000000, -0.0003732600000000 ]  - [   0.0002001300000000,  0.0000397000000000,  0.0000478400000000 ]  - [  -0.0002019400000000,  0.0001047300000000,  0.0000782000000000 ]  - [   0.0000511400000000,  0.0001699700000000,  0.0002412800000000 ]  - [   0.0019432900000000, -0.0004452100000000, -0.0005915800000000 ]  - [  -0.0019604400000000, -0.0004156600000000, -0.0005726800000000 ]  - [   0.0000315100000000, -0.0007705300000000, -0.0005794400000000 ]  - [  -0.0000922700000000, -0.0007821300000000, -0.0006331400000000 ]  - [  -0.0002460700000000,  0.0003791800000000, -0.0005000800000000 ]  - [   0.0002515100000000,  0.0003007700000000, -0.0005050400000000 ]  - [  -0.0024132400000000, -0.0002532100000000,  0.0034343600000000 ]  - [   0.0024637600000000, -0.0002564700000000,  0.0033379500000000 ]  - [   0.0007960700000000,  0.0003883800000000, -0.0006572000000000 ]  - [  -0.0006999700000000,  0.0003905100000000, -0.0006231700000000 ]  - [  -0.0032106700000000, -0.0011544200000000, -0.0044906200000000 ]  - [   0.0032772400000000, -0.0011134700000000, -0.0045338200000000 ]  - [  -0.0000529500000000,  0.0002445600000000, -0.0000559200000000 ]  - [  -0.0011039300000000, -0.0016658400000000, -0.0004858000000000 ]  - [   0.0011336100000000, -0.0016405700000000, -0.0005044400000000 ]  - [  -0.0009045700000000, -0.0023009700000000,  0.0268251200000000 ]  - [   0.0011752900000000, -0.0019602500000000,  0.0269718100000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006092900000000,  0.0021516800000000, -0.0018186000000000 ]  - [   0.0008042200000000, -0.0002541900000000,  0.0003937700000000 ]  - [  -0.0002881600000000,  0.0002037200000000,  0.0004013200000000 ]  - [  -0.0007499400000000,  0.0004691400000000,  0.0001208500000000 ]  - [   0.0012982100000000,  0.0002653000000000, -0.0003922300000000 ]  - [   0.0006956300000000,  0.0005101500000000,  0.0003916300000000 ]  - [  -0.0006366300000000, -0.0001819300000000, -0.0009594200000000 ]  - [   0.0003840300000000,  0.0006000700000000, -0.0019933000000000 ]  - [  -0.0019443000000000,  0.0019368700000000,  0.0018926100000000 ]  - [  -0.0027655400000000,  0.0024637200000000,  0.0005121500000000 ]  - [   0.0022661200000000, -0.0005540300000000, -0.0014251800000000 ]  - [   0.0011905500000000, -0.0011170200000000, -0.0015351500000000 ]  - [   0.0003285600000000, -0.0005991600000000, -0.0001090400000000 ]  - [   0.1243853400000000,  0.0175698200000000, -0.0008080300000000 ]  - [   0.0004369400000000, -0.0013304400000000,  0.0002876100000000 ]  - [   0.0000533800000000, -0.0012587000000000, -0.0003945700000000 ]  - [   0.0008614300000000,  0.0010557600000000,  0.0001316300000000 ]  - [   0.0001301200000000, -0.0001114300000000, -0.0002656000000000 ]  - [  -0.0061510300000000, -0.0066109000000000,  0.0004202800000000 ]  - [   0.0000684700000000,  0.0003751000000000,  0.0013434800000000 ]  - [  -0.0001074400000000,  0.0007722100000000, -0.0011422000000000 ]  - [   0.0000679100000000, -0.0003503800000000,  0.0001259700000000 ]  - [  -0.0005036700000000,  0.0006210600000000,  0.0004308700000000 ]  - [   0.0710880900000000, -0.0322334500000000, -0.0010807700000000 ]  - [  -0.2171209700000000,  0.0306020500000000, -0.0009572000000000 ]  - [  -0.0035943000000000,  0.0019238900000000, -0.0000285000000000 ]  - [  -0.0005118200000000,  0.0004433600000000, -0.0001799700000000 ]  - [  -0.0005267500000000,  0.0002654900000000,  0.0000154100000000 ]  - [  -0.0009466700000000, -0.0010053200000000,  0.0000564600000000 ]  - [  -0.0005750900000000, -0.0009070100000000,  0.0005694400000000 ]  - [  -0.0000297800000000, -0.0001614600000000, -0.0005039700000000 ]  - [   0.0026573700000000,  0.0015007000000000,  0.0018524500000000 ]  - [  -0.0001692500000000, -0.0004900800000000, -0.0001351000000000 ]  - [  -0.0001472900000000,  0.0000514000000000,  0.0000693700000000 ]  - [   0.0000961300000000, -0.0002414100000000,  0.0000212400000000 ]  - [   0.0008504300000000, -0.0018769600000000, -0.0005503100000000 ]  - [   0.0015536800000000, -0.0022767400000000, -0.0008601100000000 ]  - [   0.0000577100000000, -0.0010580700000000,  0.0004526300000000 ]  - [   0.0012146000000000,  0.0012974000000000, -0.0005138700000000 ]  - [  -0.0005230600000000,  0.0001510000000000, -0.0000145400000000 ]  - [  -0.0001464800000000, -0.0001222100000000,  0.0004061000000000 ]  - [   0.0001003300000000,  0.0000897200000000,  0.0001861600000000 ]  - [   0.0004010600000000, -0.0001599100000000,  0.0005393500000000 ]  - [   0.0000535700000000,  0.0002982100000000, -0.0002138800000000 ]  - [   0.0088092300000000,  0.0012288000000000,  0.0010011800000000 ]  - [  -0.0018262400000000,  0.0000981800000000,  0.0003345400000000 ]  - [  -0.0003885400000000, -0.0000383900000000, -0.0000434600000000 ]  - [  -0.0002598600000000, -0.0000078900000000, -0.0000067900000000 ]  - [   0.0002933500000000,  0.0006496400000000, -0.0010301400000000 ]  - [  -0.0000236400000000,  0.0007160300000000,  0.0004632800000000 ]  - [  -0.0015773200000000, -0.0002205500000000, -0.0002430300000000 ]  - [   0.0012728700000000, -0.0018069800000000,  0.0011397500000000 ]  - [   0.0026540300000000, -0.0016451800000000,  0.0006656600000000 ]  - [   0.0005042100000000, -0.0000334500000000,  0.0003448900000000 ]  - [   0.0000515500000000, -0.0002046100000000, -0.0003579700000000 ]  - [   0.0057840800000000, -0.0045446000000000,  0.0001878900000000 ]  - [   0.0025969500000000, -0.0141682700000000, -0.0014701400000000 ]  - [   0.0004297000000000,  0.0006894500000000, -0.0011553500000000 ]  - [   0.0001276300000000, -0.0002086000000000,  0.0002867500000000 ]  - [   0.0009775800000000, -0.0001801900000000, -0.0008282800000000 ]  - [   0.0000915100000000, -0.0005295200000000,  0.0004815000000000 ]  - [  -0.0002661000000000,  0.0030607100000000,  0.0004973500000000 ]  - [   0.0038900100000000,  0.0062005400000000,  0.0038363500000000 ]  - [   0.0006370000000000, -0.0000949000000000,  0.0000612600000000 ]  - [   0.0006906500000000, -0.0018498800000000,  0.0014768700000000 ]  - [   0.0004945900000000, -0.0007569300000000, -0.0012363700000000 ]  - [   0.0004448300000000,  0.0008735600000000,  0.0009839500000000 ]  - [   0.0003769400000000,  0.0000560700000000, -0.0001289500000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006381900000000, -0.0022353300000000,  0.0016215300000000 ]  - [  -0.0007871300000000,  0.0002908600000000, -0.0003469000000000 ]  - [   0.0001696300000000, -0.0003196200000000, -0.0004351300000000 ]  - [   0.0006439600000000, -0.0002635400000000, -0.0000120600000000 ]  - [  -0.0011278000000000, -0.0004199800000000,  0.0004771500000000 ]  - [  -0.0005531500000000, -0.0003202500000000, -0.0005076000000000 ]  - [   0.0005989100000000,  0.0002334500000000,  0.0009264700000000 ]  - [  -0.0003494300000000, -0.0006451300000000,  0.0020679700000000 ]  - [   0.0017582600000000, -0.0020729900000000, -0.0017130000000000 ]  - [   0.0026162700000000, -0.0023497000000000, -0.0006922200000000 ]  - [  -0.0020959300000000,  0.0004501000000000,  0.0012573900000000 ]  - [  -0.0012574300000000,  0.0009899400000000,  0.0018737800000000 ]  - [  -0.0003329300000000,  0.0005817300000000,  0.0001007200000000 ]  - [  -0.1167265000000000, -0.0170743400000000,  0.0007120800000000 ]  - [  -0.0004128500000000,  0.0012541100000000, -0.0003066800000000 ]  - [  -0.0000329500000000,  0.0011792900000000,  0.0004390700000000 ]  - [  -0.0008794700000000, -0.0009087300000000, -0.0001306400000000 ]  - [  -0.0001054300000000,  0.0000996500000000,  0.0002602000000000 ]  - [   0.0061160600000000,  0.0065300800000000, -0.0003879300000000 ]  - [  -0.0000959900000000, -0.0004051100000000, -0.0013554000000000 ]  - [   0.0000782000000000, -0.0007827400000000,  0.0011367800000000 ]  - [  -0.0000604900000000,  0.0003372800000000, -0.0001268900000000 ]  - [   0.0004811500000000, -0.0006139400000000, -0.0004262500000000 ]  - [  -0.0724991400000000,  0.0342730500000000,  0.0010030000000000 ]  - [   0.2110943100000000, -0.0330127800000000,  0.0009150500000000 ]  - [   0.0036148800000000, -0.0019308500000000, -0.0000421700000000 ]  - [   0.0004951300000000, -0.0003654200000000,  0.0001786400000000 ]  - [   0.0004911400000000, -0.0002893200000000, -0.0000237500000000 ]  - [   0.0010071300000000,  0.0010354300000000, -0.0000562300000000 ]  - [   0.0005129900000000,  0.0008393400000000, -0.0005116500000000 ]  - [   0.0000022700000000,  0.0001642600000000,  0.0004593000000000 ]  - [  -0.0027204200000000, -0.0014256200000000, -0.0017761800000000 ]  - [   0.0000874500000000,  0.0004397000000000,  0.0001122200000000 ]  - [   0.0001553500000000, -0.0001569600000000, -0.0000708600000000 ]  - [  -0.0001073000000000,  0.0003471200000000, -0.0000284900000000 ]  - [  -0.0008917500000000,  0.0017696700000000,  0.0006402300000000 ]  - [  -0.0015721400000000,  0.0021460400000000,  0.0007352800000000 ]  - [   0.0000090700000000,  0.0009979000000000, -0.0004243400000000 ]  - [  -0.0011632200000000, -0.0011800800000000,  0.0005053700000000 ]  - [   0.0005308100000000, -0.0001831700000000, -0.0000084500000000 ]  - [   0.0001632400000000,  0.0001271500000000, -0.0003704600000000 ]  - [  -0.0001925400000000, -0.0000830900000000, -0.0001904400000000 ]  - [  -0.0003907000000000,  0.0001008600000000, -0.0005192600000000 ]  - [  -0.0000374300000000, -0.0002208600000000,  0.0001952500000000 ]  - [  -0.0085383100000000, -0.0010948100000000, -0.0010685100000000 ]  - [   0.0018150400000000, -0.0000657400000000, -0.0002624100000000 ]  - [   0.0003642400000000,  0.0000406400000000, -0.0000140200000000 ]  - [   0.0002461900000000,  0.0000267100000000,  0.0000690100000000 ]  - [  -0.0002919100000000, -0.0007109000000000,  0.0010339300000000 ]  - [   0.0000287600000000, -0.0006347200000000, -0.0004767800000000 ]  - [   0.0017154100000000,  0.0002302400000000,  0.0002472000000000 ]  - [  -0.0012664200000000,  0.0017707600000000, -0.0011591300000000 ]  - [  -0.0026354700000000,  0.0016850800000000, -0.0006402900000000 ]  - [  -0.0005351000000000,  0.0000047100000000, -0.0003242900000000 ]  - [  -0.0001095600000000,  0.0002199100000000,  0.0003425200000000 ]  - [  -0.0060302800000000,  0.0047070300000000, -0.0001740900000000 ]  - [  -0.0027208700000000,  0.0141683500000000,  0.0014827100000000 ]  - [  -0.0004296100000000, -0.0006840800000000,  0.0012483800000000 ]  - [  -0.0001295600000000,  0.0002030600000000, -0.0003815000000000 ]  - [  -0.0008995500000000,  0.0001765600000000,  0.0007984500000000 ]  - [  -0.0000169900000000,  0.0005391400000000, -0.0004520700000000 ]  - [   0.0002761500000000, -0.0030970700000000, -0.0004905400000000 ]  - [  -0.0038101900000000, -0.0061757300000000, -0.0038981100000000 ]  - [  -0.0007660100000000,  0.0000953100000000, -0.0000655200000000 ]  - [  -0.0006382600000000,  0.0017847500000000, -0.0014654100000000 ]  - [  -0.0004501900000000,  0.0007966900000000,  0.0012571800000000 ]  - [  -0.0004070700000000, -0.0008434200000000, -0.0009492800000000 ]  - [  -0.0003663300000000, -0.0000699200000000,  0.0001880600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0007677400000000,  0.0017670300000000, -0.0017384100000000 ]  - [   0.0007228700000000, -0.0003932300000000,  0.0005878200000000 ]  - [   0.0004342900000000,  0.0009608600000000,  0.0013033500000000 ]  - [   0.0000836000000000,  0.0014867800000000, -0.0001457200000000 ]  - [   0.0010788200000000,  0.0000600500000000, -0.0004281300000000 ]  - [   0.0004304100000000,  0.0007953400000000, -0.0002510800000000 ]  - [  -0.0002490100000000, -0.0000309800000000,  0.0004834500000000 ]  - [   0.0007053500000000, -0.0001671600000000,  0.0012658000000000 ]  - [  -0.0017586400000000, -0.0016118800000000, -0.0001873000000000 ]  - [  -0.0015952100000000,  0.0004138000000000, -0.0009315700000000 ]  - [   0.0003953700000000, -0.0022531000000000, -0.0011467200000000 ]  - [  -0.0033684200000000, -0.0000358900000000, -0.0006799600000000 ]  - [   0.0002236700000000, -0.0007255900000000,  0.0001444500000000 ]  - [   0.0049045100000000,  0.0531288700000000, -0.0010332900000000 ]  - [   0.0015925700000000, -0.0019893400000000, -0.0011877400000000 ]  - [   0.0015278700000000, -0.0020302000000000,  0.0012304300000000 ]  - [   0.0011149400000000,  0.0001205500000000, -0.0000237700000000 ]  - [  -0.0000441300000000, -0.0003475800000000,  0.0001377500000000 ]  - [  -0.0023294100000000,  0.0061314700000000,  0.0007671800000000 ]  - [  -0.0007248400000000, -0.0006492500000000,  0.0003400800000000 ]  - [  -0.0010707700000000, -0.0006157700000000, -0.0009879800000000 ]  - [   0.0001963300000000, -0.0003095300000000,  0.0002357300000000 ]  - [  -0.0011219900000000, -0.0001767600000000,  0.0002642100000000 ]  - [  -0.0292120900000000,  0.0990891000000000, -0.0022004100000000 ]  - [   0.0333038100000000, -0.1401066600000000, -0.0032716900000000 ]  - [  -0.0019488400000000,  0.0029792400000000, -0.0005573500000000 ]  - [  -0.0008663200000000,  0.0011257700000000, -0.0008187600000000 ]  - [  -0.0008314700000000,  0.0009574200000000,  0.0003433800000000 ]  - [  -0.0032529100000000,  0.0040358500000000,  0.0000792600000000 ]  - [  -0.0016009800000000, -0.0013775700000000,  0.0010882500000000 ]  - [  -0.0000142900000000, -0.0005340900000000, -0.0002040600000000 ]  - [  -0.0068498900000000,  0.0006537700000000, -0.0010048800000000 ]  - [  -0.0003381400000000, -0.0000320100000000, -0.0000948100000000 ]  - [  -0.0000486200000000,  0.0002859800000000, -0.0000379800000000 ]  - [  -0.0001970700000000, -0.0006704000000000, -0.0000431500000000 ]  - [   0.0046502800000000, -0.0009999800000000,  0.0004129300000000 ]  - [   0.0053624900000000, -0.0006644400000000,  0.0000967200000000 ]  - [  -0.0000067200000000,  0.0002990700000000,  0.0000412300000000 ]  - [  -0.0045766000000000,  0.0004746400000000, -0.0005102200000000 ]  - [  -0.0002077800000000, -0.0003441300000000,  0.0000021200000000 ]  - [  -0.0003092600000000, -0.0004375600000000,  0.0001362900000000 ]  - [   0.0004521700000000,  0.0002571700000000,  0.0002522700000000 ]  - [   0.0004134100000000,  0.0000812500000000, -0.0004725800000000 ]  - [   0.0003101700000000,  0.0003417400000000,  0.0003490000000000 ]  - [  -0.0011462500000000, -0.0145237100000000, -0.0000341000000000 ]  - [   0.0000751100000000,  0.0016986300000000,  0.0000506600000000 ]  - [  -0.0000419200000000,  0.0001210700000000, -0.0000043900000000 ]  - [   0.0000220000000000,  0.0007065700000000, -0.0000434200000000 ]  - [  -0.0000394400000000,  0.0000639300000000, -0.0004478900000000 ]  - [  -0.0000818400000000,  0.0002191800000000,  0.0001362900000000 ]  - [   0.0000917500000000,  0.0001815000000000,  0.0002292300000000 ]  - [   0.0007780400000000,  0.0014271300000000, -0.0002113100000000 ]  - [   0.0039213200000000,  0.0001738000000000,  0.0008316300000000 ]  - [   0.0010945500000000, -0.0005173300000000,  0.0008381000000000 ]  - [   0.0000490900000000,  0.0000514500000000, -0.0003123000000000 ]  - [  -0.0012423100000000, -0.0083701900000000,  0.0001939200000000 ]  - [  -0.0081766600000000, -0.0139258100000000,  0.0013496400000000 ]  - [   0.0006003000000000,  0.0006560400000000, -0.0015595600000000 ]  - [   0.0001489700000000,  0.0001543000000000,  0.0004544700000000 ]  - [   0.0005891000000000, -0.0005059400000000, -0.0008656500000000 ]  - [   0.0002004500000000,  0.0004000000000000,  0.0004265500000000 ]  - [   0.0001369900000000,  0.0033915900000000,  0.0002001700000000 ]  - [   0.0064397700000000,  0.0056565000000000,  0.0036417500000000 ]  - [   0.0001953900000000, -0.0000053100000000, -0.0000655700000000 ]  - [  -0.0010347600000000,  0.0013837400000000,  0.0018301200000000 ]  - [   0.0004808200000000,  0.0012420900000000, -0.0005016400000000 ]  - [   0.0008536000000000,  0.0015773900000000,  0.0020634800000000 ]  - [  -0.0000614000000000, -0.0001992700000000,  0.0001956200000000 ]- atom:   25  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007353800000000, -0.0017291900000000,  0.0017439400000000 ]  - [  -0.0007130000000000,  0.0003899800000000, -0.0005852500000000 ]  - [  -0.0005289500000000, -0.0010956700000000, -0.0013927800000000 ]  - [  -0.0001796100000000, -0.0013766100000000,  0.0002975700000000 ]  - [  -0.0009611900000000, -0.0001930100000000,  0.0005619200000000 ]  - [  -0.0003002800000000, -0.0006787000000000,  0.0001212100000000 ]  - [   0.0002218000000000,  0.0000152900000000, -0.0004878700000000 ]  - [  -0.0007228300000000,  0.0001811400000000, -0.0012341600000000 ]  - [   0.0016078800000000,  0.0014886400000000,  0.0003469000000000 ]  - [   0.0014680800000000, -0.0002776200000000,  0.0007778400000000 ]  - [  -0.0002547600000000,  0.0021467500000000,  0.0010127600000000 ]  - [   0.0033679200000000,  0.0000049600000000,  0.0009811500000000 ]  - [  -0.0002287800000000,  0.0007199400000000, -0.0001487300000000 ]  - [  -0.0052634600000000, -0.0530015900000000,  0.0009909200000000 ]  - [  -0.0016030300000000,  0.0020337200000000,  0.0011945000000000 ]  - [  -0.0015389900000000,  0.0020741800000000, -0.0012305400000000 ]  - [  -0.0010610300000000, -0.0001791800000000,  0.0000219000000000 ]  - [   0.0000573500000000,  0.0003431500000000, -0.0001341400000000 ]  - [   0.0022352000000000, -0.0060345200000000, -0.0007736200000000 ]  - [   0.0006860600000000,  0.0006254800000000, -0.0003356700000000 ]  - [   0.0010586500000000,  0.0006036600000000,  0.0009847200000000 ]  - [  -0.0002047800000000,  0.0003132300000000, -0.0002463800000000 ]  - [   0.0011185900000000,  0.0001781700000000, -0.0002776900000000 ]  - [   0.0266416900000000, -0.0952548100000000,  0.0020637000000000 ]  - [  -0.0303517100000000,  0.1365968200000000,  0.0032398700000000 ]  - [   0.0019059100000000, -0.0029530200000000,  0.0004780000000000 ]  - [   0.0008692200000000, -0.0010732500000000,  0.0008166800000000 ]  - [   0.0008359000000000, -0.0010183700000000, -0.0003328300000000 ]  - [   0.0034277500000000, -0.0041126900000000, -0.0000727700000000 ]  - [   0.0015713500000000,  0.0013553600000000, -0.0010626600000000 ]  - [  -0.0000142000000000,  0.0005518300000000,  0.0001811100000000 ]  - [   0.0068599800000000, -0.0006718100000000,  0.0010641400000000 ]  - [   0.0002669100000000,  0.0000223800000000,  0.0000840700000000 ]  - [   0.0000549700000000, -0.0004058300000000,  0.0000356300000000 ]  - [   0.0001979700000000,  0.0007803700000000,  0.0000440200000000 ]  - [  -0.0045430700000000,  0.0010733900000000, -0.0003089700000000 ]  - [  -0.0052670300000000,  0.0007455200000000, -0.0001851700000000 ]  - [   0.0000765400000000, -0.0002924200000000, -0.0000335300000000 ]  - [   0.0046951900000000, -0.0004683300000000,  0.0004617600000000 ]  - [   0.0002285200000000,  0.0003159600000000, -0.0000265500000000 ]  - [   0.0003303600000000,  0.0004607500000000, -0.0001131400000000 ]  - [  -0.0005923200000000, -0.0002644600000000, -0.0002577400000000 ]  - [  -0.0004173500000000, -0.0001449500000000,  0.0004591900000000 ]  - [  -0.0003071000000000, -0.0002816700000000, -0.0003472800000000 ]  - [   0.0011816600000000,  0.0143949500000000, -0.0000415600000000 ]  - [  -0.0000895100000000, -0.0017034700000000,  0.0000158900000000 ]  - [   0.0000348200000000, -0.0001220900000000, -0.0000574700000000 ]  - [  -0.0000296800000000, -0.0006979300000000,  0.0001090100000000 ]  - [   0.0000278400000000, -0.0001481700000000,  0.0004430100000000 ]  - [   0.0000907600000000, -0.0001661800000000, -0.0001127600000000 ]  - [   0.0000566400000000, -0.0001725700000000, -0.0002299400000000 ]  - [  -0.0008064500000000, -0.0014756200000000,  0.0001958900000000 ]  - [  -0.0039920300000000, -0.0001474200000000, -0.0008181500000000 ]  - [  -0.0011622300000000,  0.0005095100000000, -0.0008232900000000 ]  - [  -0.0001105900000000, -0.0000427900000000,  0.0003000600000000 ]  - [   0.0012716100000000,  0.0084200300000000, -0.0001896100000000 ]  - [   0.0081326800000000,  0.0136254000000000, -0.0013451000000000 ]  - [  -0.0006089400000000, -0.0006673500000000,  0.0016878200000000 ]  - [  -0.0001530700000000, -0.0001486000000000, -0.0005787700000000 ]  - [  -0.0005273300000000,  0.0005116500000000,  0.0008664100000000 ]  - [  -0.0001356300000000, -0.0003909900000000, -0.0004090100000000 ]  - [  -0.0001185600000000, -0.0034471800000000, -0.0001846800000000 ]  - [  -0.0064882300000000, -0.0056744700000000, -0.0037263000000000 ]  - [  -0.0003427600000000,  0.0000049100000000,  0.0000540900000000 ]  - [   0.0010307700000000, -0.0014447700000000, -0.0017959100000000 ]  - [  -0.0004817900000000, -0.0011562600000000,  0.0005102900000000 ]  - [  -0.0008438000000000, -0.0015601200000000, -0.0021110000000000 ]  - [   0.0000688700000000,  0.0001865600000000, -0.0001349600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0024104300000000,  0.0043770300000000,  0.0151379400000000 ]  - [  -0.0003685500000000, -0.0001460700000000, -0.0006749100000000 ]  - [  -0.0024327200000000, -0.0019469400000000, -0.0081867400000000 ]  - [   0.0000974600000000,  0.0007885800000000, -0.0006560800000000 ]  - [   0.0008852100000000,  0.0002173900000000, -0.0006004100000000 ]  - [  -0.0001933500000000,  0.0000696100000000, -0.0005349200000000 ]  - [   0.0003894000000000,  0.0000944700000000,  0.0001108900000000 ]  - [  -0.0004688600000000, -0.0005813800000000, -0.0005884700000000 ]  - [   0.0006590700000000,  0.0006911300000000,  0.0000174800000000 ]  - [  -0.0010508200000000, -0.0000069500000000,  0.0007074600000000 ]  - [  -0.0003746600000000, -0.0007614800000000,  0.0010984700000000 ]  - [   0.0015031700000000,  0.0012921700000000,  0.0069227800000000 ]  - [   0.0009025100000000, -0.0010815500000000, -0.0015935000000000 ]  - [  -0.0044606300000000, -0.0024074700000000,  0.0248388500000000 ]  - [   0.0004106400000000, -0.0002708400000000,  0.0002085400000000 ]  - [  -0.0001549500000000,  0.0012833100000000, -0.0002243200000000 ]  - [  -0.0001864500000000, -0.0002816900000000, -0.0010730200000000 ]  - [  -0.0001334200000000, -0.0002860500000000, -0.0002303900000000 ]  - [   0.0005397200000000,  0.0000123200000000, -0.0004307100000000 ]  - [   0.0012189300000000,  0.0007698900000000, -0.0012224600000000 ]  - [  -0.0006986800000000,  0.0000652900000000, -0.0004815500000000 ]  - [  -0.0000721200000000,  0.0001634700000000, -0.0005388000000000 ]  - [  -0.0016356600000000, -0.0001838900000000, -0.0013924500000000 ]  - [   0.0026560400000000, -0.0034978300000000,  0.0268976300000000 ]  - [  -0.0006256600000000, -0.0027695200000000, -0.0595415400000000 ]  - [   0.0000006400000000, -0.0005645300000000,  0.0009649800000000 ]  - [   0.0005647200000000, -0.0003108200000000,  0.0009439400000000 ]  - [  -0.0011136300000000,  0.0015447000000000,  0.0005077700000000 ]  - [   0.0004738000000000, -0.0004129600000000, -0.0003124900000000 ]  - [  -0.0020309500000000, -0.0020613900000000,  0.0039649600000000 ]  - [   0.0002098200000000,  0.0003693900000000,  0.0006316200000000 ]  - [   0.0071338500000000, -0.0018634300000000,  0.0014037900000000 ]  - [  -0.0000804800000000,  0.0006778500000000,  0.0001857700000000 ]  - [  -0.0000308300000000, -0.0000920800000000,  0.0002484800000000 ]  - [   0.0000285900000000, -0.0001206500000000,  0.0001804900000000 ]  - [  -0.0043619400000000,  0.0001459600000000, -0.0006629000000000 ]  - [   0.0046859300000000,  0.0009239700000000, -0.0008465900000000 ]  - [   0.0000759500000000, -0.0006677800000000,  0.0001114500000000 ]  - [  -0.0045911800000000,  0.0007389200000000,  0.0012054600000000 ]  - [   0.0007219300000000,  0.0002894700000000,  0.0007179800000000 ]  - [  -0.0001563700000000, -0.0001883200000000,  0.0002807400000000 ]  - [  -0.0001920900000000, -0.0002295300000000, -0.0005318600000000 ]  - [  -0.0001696400000000,  0.0000143100000000,  0.0000490100000000 ]  - [   0.0000822200000000,  0.0003000400000000,  0.0000853900000000 ]  - [   0.0010794300000000,  0.0000022800000000, -0.0061637700000000 ]  - [  -0.0002907400000000, -0.0000452300000000,  0.0008238600000000 ]  - [   0.0000219000000000, -0.0000250200000000,  0.0000219700000000 ]  - [  -0.0000391500000000,  0.0000726500000000,  0.0002587600000000 ]  - [  -0.0000328800000000, -0.0000794900000000,  0.0000391500000000 ]  - [   0.0003123700000000,  0.0000780400000000, -0.0001364000000000 ]  - [  -0.0001220100000000, -0.0003100100000000,  0.0010323600000000 ]  - [   0.0000612700000000,  0.0003770300000000, -0.0003717700000000 ]  - [  -0.0026479400000000, -0.0001078700000000, -0.0008539200000000 ]  - [   0.0015507000000000, -0.0002636700000000,  0.0009853900000000 ]  - [  -0.0003073700000000, -0.0002626700000000,  0.0003184800000000 ]  - [  -0.0000139700000000,  0.0008295200000000, -0.0011604700000000 ]  - [  -0.0009907000000000,  0.0007677600000000, -0.0083747600000000 ]  - [  -0.0000216900000000, -0.0005895800000000,  0.0007318900000000 ]  - [   0.0001502800000000,  0.0001280600000000, -0.0001291100000000 ]  - [  -0.0003053600000000,  0.0004102800000000,  0.0010994800000000 ]  - [  -0.0000179800000000, -0.0001276900000000,  0.0001083100000000 ]  - [  -0.0002640700000000, -0.0031094800000000, -0.0010995200000000 ]  - [   0.0032863400000000,  0.0034075900000000, -0.0040975000000000 ]  - [  -0.0002385100000000, -0.0000241500000000,  0.0003578000000000 ]  - [  -0.0069231100000000,  0.0071461200000000,  0.0027514800000000 ]  - [   0.0045754100000000, -0.0045994600000000,  0.0011318300000000 ]  - [   0.0009574500000000,  0.0020582100000000,  0.0052837400000000 ]  - [   0.0001539300000000,  0.0001706800000000,  0.0003450100000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0025366700000000, -0.0047144800000000, -0.0161452000000000 ]  - [   0.0003790900000000,  0.0001455700000000,  0.0007098700000000 ]  - [   0.0022656800000000,  0.0017645400000000,  0.0079783600000000 ]  - [  -0.0002154800000000, -0.0006757300000000,  0.0007925600000000 ]  - [  -0.0008048200000000, -0.0003908900000000,  0.0007516500000000 ]  - [   0.0002878900000000,  0.0000810800000000,  0.0003997300000000 ]  - [  -0.0004140100000000, -0.0000937000000000, -0.0001472400000000 ]  - [   0.0004294300000000,  0.0005787400000000,  0.0006333800000000 ]  - [  -0.0007872800000000, -0.0008694100000000,  0.0001421200000000 ]  - [   0.0008822500000000,  0.0001562500000000, -0.0008963800000000 ]  - [   0.0005149400000000,  0.0006088000000000, -0.0012515300000000 ]  - [  -0.0013567000000000, -0.0011980800000000, -0.0067654600000000 ]  - [  -0.0009272000000000,  0.0011046500000000,  0.0016146200000000 ]  - [   0.0039382600000000,  0.0019662600000000, -0.0249198700000000 ]  - [  -0.0004278400000000,  0.0003450600000000, -0.0002326500000000 ]  - [   0.0001684200000000, -0.0012415000000000,  0.0002490900000000 ]  - [   0.0001513200000000,  0.0002209800000000,  0.0010648800000000 ]  - [   0.0001390800000000,  0.0002889000000000,  0.0002287800000000 ]  - [  -0.0005333300000000,  0.0000079400000000,  0.0004136100000000 ]  - [  -0.0011864600000000, -0.0007258400000000,  0.0011765100000000 ]  - [   0.0007278500000000, -0.0000545300000000,  0.0005377700000000 ]  - [   0.0000684300000000, -0.0001777700000000,  0.0005371000000000 ]  - [   0.0016648100000000,  0.0002017500000000,  0.0014067000000000 ]  - [  -0.0026071200000000,  0.0029393300000000, -0.0269005900000000 ]  - [   0.0012529100000000,  0.0037541300000000,  0.0607678200000000 ]  - [   0.0000210800000000,  0.0004761800000000, -0.0010132000000000 ]  - [  -0.0005496100000000,  0.0003619100000000, -0.0009277400000000 ]  - [   0.0011502500000000, -0.0016616000000000, -0.0005274500000000 ]  - [  -0.0003237900000000,  0.0003938600000000,  0.0003117700000000 ]  - [   0.0020561700000000,  0.0020779100000000, -0.0039544300000000 ]  - [  -0.0002369100000000, -0.0003084000000000, -0.0006490000000000 ]  - [  -0.0071386400000000,  0.0017734700000000, -0.0014111600000000 ]  - [   0.0000143100000000, -0.0006763100000000, -0.0002075900000000 ]  - [   0.0000295900000000, -0.0000544100000000, -0.0002480600000000 ]  - [  -0.0000371300000000,  0.0002757300000000, -0.0001831000000000 ]  - [   0.0044474100000000, -0.0000651900000000,  0.0008223500000000 ]  - [  -0.0046448100000000, -0.0008275500000000,  0.0007118400000000 ]  - [  -0.0000120800000000,  0.0006856000000000, -0.0000853500000000 ]  - [   0.0047528100000000, -0.0008056600000000, -0.0012063300000000 ]  - [  -0.0006796100000000, -0.0003113700000000, -0.0007462600000000 ]  - [   0.0001864000000000,  0.0002352500000000, -0.0002666400000000 ]  - [   0.0000399200000000,  0.0002166600000000,  0.0005286000000000 ]  - [   0.0001680100000000, -0.0000852500000000, -0.0000479700000000 ]  - [  -0.0000777900000000, -0.0002358500000000, -0.0000840100000000 ]  - [  -0.0009953300000000,  0.0000104000000000,  0.0060891600000000 ]  - [   0.0002978200000000, -0.0000052900000000, -0.0007475400000000 ]  - [  -0.0000154700000000,  0.0000209000000000, -0.0000904100000000 ]  - [   0.0000385400000000, -0.0000861400000000, -0.0001882500000000 ]  - [   0.0000381100000000, -0.0000041900000000, -0.0000221500000000 ]  - [  -0.0003014800000000, -0.0000180200000000,  0.0001403300000000 ]  - [   0.0002270100000000,  0.0003092000000000, -0.0010431600000000 ]  - [  -0.0000978700000000, -0.0004013400000000,  0.0003442100000000 ]  - [   0.0026022900000000,  0.0001345500000000,  0.0008726800000000 ]  - [  -0.0016542900000000,  0.0002725300000000, -0.0009998500000000 ]  - [   0.0002317300000000,  0.0002647900000000, -0.0003026900000000 ]  - [   0.0000413500000000, -0.0005532700000000,  0.0011507900000000 ]  - [   0.0009705100000000, -0.0006308500000000,  0.0083591500000000 ]  - [   0.0000170200000000,  0.0005866100000000, -0.0005846500000000 ]  - [  -0.0001434600000000, -0.0001349500000000, -0.0000113100000000 ]  - [   0.0003728400000000, -0.0004071700000000, -0.0010932500000000 ]  - [   0.0000842900000000,  0.0001398300000000, -0.0001286900000000 ]  - [   0.0002944300000000,  0.0030655300000000,  0.0011361900000000 ]  - [  -0.0033392200000000, -0.0034378600000000,  0.0041080300000000 ]  - [   0.0000891200000000,  0.0000314200000000, -0.0003616400000000 ]  - [   0.0068029000000000, -0.0071148500000000, -0.0026137300000000 ]  - [  -0.0046747700000000,  0.0047482000000000, -0.0012598600000000 ]  - [  -0.0009725900000000, -0.0021113100000000, -0.0054370100000000 ]  - [  -0.0001524900000000, -0.0001657500000000, -0.0002782400000000 ]- atom:   29  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002700700000000,  0.0042748000000000, -0.0051913800000000 ]  - [  -0.0002700700000000, -0.0042748000000000,  0.0051913800000000 ]  - [  -0.0011249100000000,  0.0004964900000000,  0.0004803500000000 ]  - [  -0.0011249100000000, -0.0004964900000000, -0.0004803500000000 ]  - [   0.0003799600000000,  0.0006798900000000,  0.0000970100000000 ]  - [   0.0003799600000000, -0.0006798900000000, -0.0000970100000000 ]  - [   0.0008425600000000, -0.0011571900000000, -0.0000162500000000 ]  - [   0.0008425600000000,  0.0011571900000000,  0.0000162500000000 ]  - [  -0.0024587400000000, -0.0009954000000000, -0.0000172200000000 ]  - [  -0.0024587400000000,  0.0009954000000000,  0.0000172200000000 ]  - [  -0.0076671100000000, -0.0041404200000000, -0.0060620500000000 ]  - [  -0.0076671100000000,  0.0041404200000000,  0.0060620500000000 ]  - [   0.0010673500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034321200000000,  0.0022780700000000, -0.0002312800000000 ]  - [   0.0850837900000000, -0.0039891800000000, -0.0450720200000000 ]  - [   0.0850837900000000,  0.0039891800000000,  0.0450720200000000 ]  - [   0.0034321200000000, -0.0022780700000000,  0.0002312800000000 ]  - [   0.0106339200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004807200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001741200000000,  0.0003339000000000, -0.0002901400000000 ]  - [   0.0001741200000000, -0.0003339000000000,  0.0002901400000000 ]  - [   0.0010351700000000, -0.0002259200000000, -0.0002097000000000 ]  - [   0.0010351700000000,  0.0002259200000000,  0.0002097000000000 ]  - [  -0.0019472100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009773400000000, -0.0033568400000000,  0.0004236700000000 ]  - [  -0.0009773400000000,  0.0033568400000000, -0.0004236700000000 ]  - [  -0.0084796700000000,  0.0007237400000000, -0.0046121100000000 ]  - [  -0.0084796700000000, -0.0007237400000000,  0.0046121100000000 ]  - [  -0.1712373800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000177900000000, -0.0005534600000000,  0.0002474100000000 ]  - [  -0.0000177900000000,  0.0005534600000000, -0.0002474100000000 ]  - [  -0.0008227900000000, -0.0007728000000000,  0.0001450500000000 ]  - [  -0.0008227900000000,  0.0007728000000000, -0.0001450500000000 ]  - [   0.0014909900000000, -0.0000517600000000, -0.0006193600000000 ]  - [   0.0014909900000000,  0.0000517600000000,  0.0006193600000000 ]  - [  -0.0007424900000000, -0.0001496400000000,  0.0000384900000000 ]  - [  -0.0007424900000000,  0.0001496400000000, -0.0000384900000000 ]  - [  -0.0007110500000000, -0.0006357700000000, -0.0003513000000000 ]  - [  -0.0007110500000000,  0.0006357700000000,  0.0003513000000000 ]  - [   0.0000006400000000, -0.0001433600000000, -0.0002796100000000 ]  - [   0.0000006400000000,  0.0001433600000000,  0.0002796100000000 ]  - [   0.0168548800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0138901700000000,  0.0006634200000000,  0.0143067100000000 ]  - [  -0.0138901700000000, -0.0006634200000000, -0.0143067100000000 ]  - [   0.0001413500000000, -0.0005293900000000, -0.0001490700000000 ]  - [   0.0001413500000000,  0.0005293900000000,  0.0001490700000000 ]  - [  -0.0016568200000000,  0.0000046800000000,  0.0001431300000000 ]  - [  -0.0016568200000000, -0.0000046800000000, -0.0001431300000000 ]  - [  -0.0007328500000000,  0.0001652300000000, -0.0003061700000000 ]  - [  -0.0007328500000000, -0.0001652300000000,  0.0003061700000000 ]  - [  -0.0003018400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034972900000000, -0.0003143900000000, -0.0000871700000000 ]  - [   0.0034972900000000,  0.0003143900000000,  0.0000871700000000 ]  - [  -0.0000905100000000, -0.0003314700000000,  0.0005139300000000 ]  - [  -0.0000905100000000,  0.0003314700000000, -0.0005139300000000 ]  - [   0.0009916800000000, -0.0016194500000000,  0.0001436000000000 ]  - [   0.0009916800000000,  0.0016194500000000, -0.0001436000000000 ]  - [   0.0001705700000000,  0.0002623900000000, -0.0016170600000000 ]  - [   0.0001705700000000, -0.0002623900000000,  0.0016170600000000 ]  - [   0.0006826400000000, -0.0011962100000000, -0.0016120000000000 ]  - [   0.0006826400000000,  0.0011962100000000,  0.0016120000000000 ]  - [   0.0128123300000000,  0.0060406500000000, -0.0071312100000000 ]  - [   0.0128123300000000, -0.0060406500000000,  0.0071312100000000 ]  - [   0.0010924200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003478300000000, -0.0000469800000000,  0.0001077800000000 ]  - [   0.0003478300000000,  0.0000469800000000, -0.0001077800000000 ]  - [   0.0007185600000000,  0.0002670400000000, -0.0001962600000000 ]  - [   0.0007185600000000, -0.0002670400000000,  0.0001962600000000 ]- atom:   29  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002192600000000, -0.0042974500000000,  0.0051857300000000 ]  - [   0.0002192600000000,  0.0042974500000000, -0.0051857300000000 ]  - [   0.0009773300000000, -0.0006041200000000, -0.0005914600000000 ]  - [   0.0009773300000000,  0.0006041200000000,  0.0005914600000000 ]  - [  -0.0002475900000000, -0.0007786400000000,  0.0000184600000000 ]  - [  -0.0002475900000000,  0.0007786400000000, -0.0000184600000000 ]  - [  -0.0007802500000000,  0.0011230300000000,  0.0000262400000000 ]  - [  -0.0007802500000000, -0.0011230300000000, -0.0000262400000000 ]  - [   0.0024140200000000,  0.0008790500000000,  0.0000729600000000 ]  - [   0.0024140200000000, -0.0008790500000000, -0.0000729600000000 ]  - [   0.0075972600000000,  0.0039240800000000,  0.0058058000000000 ]  - [   0.0075972600000000, -0.0039240800000000, -0.0058058000000000 ]  - [  -0.0009453400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0033378000000000, -0.0022128300000000,  0.0002294500000000 ]  - [  -0.0827173800000000,  0.0039713000000000,  0.0430950000000000 ]  - [  -0.0827173800000000, -0.0039713000000000, -0.0430950000000000 ]  - [  -0.0033378000000000,  0.0022128300000000, -0.0002294500000000 ]  - [  -0.0105950000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004892900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001627700000000, -0.0003444800000000,  0.0002862000000000 ]  - [  -0.0001627700000000,  0.0003444800000000, -0.0002862000000000 ]  - [  -0.0010317800000000,  0.0002133900000000,  0.0002171400000000 ]  - [  -0.0010317800000000, -0.0002133900000000, -0.0002171400000000 ]  - [   0.0019176300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009955200000000,  0.0033273600000000, -0.0003632200000000 ]  - [   0.0009955200000000, -0.0033273600000000,  0.0003632200000000 ]  - [   0.0083163100000000, -0.0006465100000000,  0.0046361200000000 ]  - [   0.0083163100000000,  0.0006465100000000, -0.0046361200000000 ]  - [   0.1674778100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000038700000000,  0.0005186100000000, -0.0002190400000000 ]  - [  -0.0000038700000000, -0.0005186100000000,  0.0002190400000000 ]  - [   0.0007364700000000,  0.0008252800000000, -0.0001288200000000 ]  - [   0.0007364700000000, -0.0008252800000000,  0.0001288200000000 ]  - [  -0.0014980000000000, -0.0001380100000000,  0.0006148300000000 ]  - [  -0.0014980000000000,  0.0001380100000000, -0.0006148300000000 ]  - [   0.0007167000000000,  0.0001427400000000,  0.0001255400000000 ]  - [   0.0007167000000000, -0.0001427400000000, -0.0001255400000000 ]  - [   0.0007854500000000,  0.0005599100000000,  0.0003708200000000 ]  - [   0.0007854500000000, -0.0005599100000000, -0.0003708200000000 ]  - [   0.0000256600000000,  0.0001073800000000,  0.0002433100000000 ]  - [   0.0000256600000000, -0.0001073800000000, -0.0002433100000000 ]  - [  -0.0166321400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0136493300000000, -0.0007404100000000, -0.0140240800000000 ]  - [   0.0136493300000000,  0.0007404100000000,  0.0140240800000000 ]  - [  -0.0001575200000000,  0.0005265600000000,  0.0000826100000000 ]  - [  -0.0001575200000000, -0.0005265600000000, -0.0000826100000000 ]  - [   0.0016413200000000, -0.0000221900000000, -0.0002122400000000 ]  - [   0.0016413200000000,  0.0000221900000000,  0.0002122400000000 ]  - [   0.0007229700000000, -0.0002321800000000,  0.0002925500000000 ]  - [   0.0007229700000000,  0.0002321800000000, -0.0002925500000000 ]  - [   0.0004421600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0035639200000000,  0.0002824600000000,  0.0000561700000000 ]  - [  -0.0035639200000000, -0.0002824600000000, -0.0000561700000000 ]  - [   0.0000220200000000,  0.0003261600000000, -0.0005224200000000 ]  - [   0.0000220200000000, -0.0003261600000000,  0.0005224200000000 ]  - [  -0.0009859400000000,  0.0017613200000000, -0.0001436700000000 ]  - [  -0.0009859400000000, -0.0017613200000000,  0.0001436700000000 ]  - [  -0.0001878800000000, -0.0002668800000000,  0.0017610700000000 ]  - [  -0.0001878800000000,  0.0002668800000000, -0.0017610700000000 ]  - [  -0.0006354600000000,  0.0012017200000000,  0.0016384200000000 ]  - [  -0.0006354600000000, -0.0012017200000000, -0.0016384200000000 ]  - [  -0.0129363100000000, -0.0061731800000000,  0.0072646500000000 ]  - [  -0.0129363100000000,  0.0061731800000000, -0.0072646500000000 ]  - [  -0.0012191400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003519800000000, -0.0000169600000000, -0.0001044900000000 ]  - [  -0.0003519800000000,  0.0000169600000000,  0.0001044900000000 ]  - [  -0.0006887700000000, -0.0002716100000000,  0.0001299000000000 ]  - [  -0.0006887700000000,  0.0002716100000000, -0.0001299000000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0005473200000000, -0.0013566500000000,  0.0031253400000000 ]  - [  -0.0004754900000000, -0.0013247900000000,  0.0030859200000000 ]  - [   0.0000589600000000, -0.0007549100000000, -0.0005715700000000 ]  - [  -0.0001388600000000, -0.0006034700000000, -0.0003945200000000 ]  - [  -0.0000913800000000, -0.0001594900000000,  0.0003717100000000 ]  - [   0.0001995200000000, -0.0000246900000000,  0.0001976400000000 ]  - [   0.0006376000000000, -0.0004201900000000, -0.0002720000000000 ]  - [  -0.0007083600000000, -0.0004158800000000, -0.0002905800000000 ]  - [  -0.0007930100000000,  0.0002977400000000,  0.0005329300000000 ]  - [   0.0006169000000000,  0.0004330600000000,  0.0003865600000000 ]  - [  -0.0025423400000000,  0.0035720900000000, -0.0006830600000000 ]  - [   0.0027132800000000,  0.0036452000000000, -0.0005277800000000 ]  - [  -0.0000104500000000,  0.0005574900000000, -0.0006884900000000 ]  - [  -0.0024626200000000, -0.0038321400000000,  0.0000322800000000 ]  - [   0.0013399700000000,  0.0287599300000000, -0.0014626100000000 ]  - [  -0.0018875000000000,  0.0288529700000000, -0.0017299200000000 ]  - [   0.0024120400000000, -0.0037922900000000,  0.0000206100000000 ]  - [  -0.0000279600000000,  0.0010524300000000, -0.0010202800000000 ]  - [  -0.0000236700000000,  0.0000392100000000, -0.0001680700000000 ]  - [   0.0000294800000000, -0.0005061000000000,  0.0000473300000000 ]  - [  -0.0000292500000000, -0.0005016200000000,  0.0000509700000000 ]  - [  -0.0000791200000000,  0.0003451200000000, -0.0002880700000000 ]  - [   0.0000700700000000,  0.0003472100000000, -0.0002897300000000 ]  - [   0.0000469400000000, -0.0010773700000000,  0.0002428400000000 ]  - [  -0.0010162200000000,  0.0041175200000000, -0.0003853900000000 ]  - [   0.0010313900000000,  0.0040355700000000, -0.0004264100000000 ]  - [   0.0002253500000000, -0.0011299200000000,  0.0002000300000000 ]  - [  -0.0001665100000000, -0.0011836200000000,  0.0001564800000000 ]  - [   0.0004060900000000, -0.0464203600000000,  0.0004959700000000 ]  - [   0.0001014300000000,  0.0002482000000000, -0.0001074500000000 ]  - [  -0.0001339100000000,  0.0002851400000000, -0.0001387100000000 ]  - [   0.0046774400000000,  0.0016195900000000,  0.0053805600000000 ]  - [  -0.0046499000000000,  0.0014940700000000,  0.0052592700000000 ]  - [   0.0002947800000000, -0.0007989400000000, -0.0000210300000000 ]  - [  -0.0003248800000000, -0.0006604700000000, -0.0000259000000000 ]  - [   0.0000249700000000,  0.0001367800000000, -0.0005704800000000 ]  - [  -0.0000188400000000,  0.0001360500000000, -0.0006699500000000 ]  - [  -0.0043333300000000,  0.0008107000000000, -0.0045420100000000 ]  - [   0.0044841500000000,  0.0009320900000000, -0.0046581700000000 ]  - [   0.0000464700000000,  0.0003582100000000,  0.0001650300000000 ]  - [  -0.0000230000000000,  0.0003894000000000,  0.0001910700000000 ]  - [  -0.0001379400000000,  0.0004972800000000,  0.0003327400000000 ]  - [   0.0014225300000000, -0.0084108600000000,  0.0014671600000000 ]  - [  -0.0012691900000000, -0.0083214800000000,  0.0014861100000000 ]  - [  -0.0001010400000000,  0.0002637600000000,  0.0001948600000000 ]  - [   0.0000668600000000,  0.0002628400000000,  0.0002536400000000 ]  - [  -0.0002197900000000,  0.0001761300000000,  0.0002755000000000 ]  - [   0.0002299300000000,  0.0001809000000000,  0.0003419100000000 ]  - [   0.0000380400000000,  0.0001469200000000, -0.0000313300000000 ]  - [  -0.0000458300000000,  0.0002165000000000, -0.0000145500000000 ]  - [   0.0000670800000000,  0.0001524000000000, -0.0000048100000000 ]  - [   0.0012427200000000, -0.0006358600000000, -0.0005648300000000 ]  - [  -0.0012776700000000, -0.0006220300000000, -0.0005438800000000 ]  - [  -0.0001758300000000,  0.0001222100000000, -0.0001562300000000 ]  - [   0.0001151100000000,  0.0001316600000000, -0.0001482300000000 ]  - [   0.0006112600000000,  0.0002443000000000, -0.0000511100000000 ]  - [  -0.0006271400000000,  0.0001117500000000, -0.0000509800000000 ]  - [  -0.0000479400000000, -0.0003158300000000,  0.0002189900000000 ]  - [   0.0000563500000000, -0.0003091000000000,  0.0000730700000000 ]  - [   0.0000128500000000,  0.0004264500000000,  0.0006104100000000 ]  - [   0.0000563000000000,  0.0004356700000000,  0.0005984000000000 ]  - [   0.0038153900000000, -0.0014653500000000, -0.0021617000000000 ]  - [  -0.0038010900000000, -0.0014366600000000, -0.0022043400000000 ]  - [  -0.0000699200000000,  0.0001552600000000, -0.0000147900000000 ]  - [  -0.0000370600000000,  0.0002216600000000,  0.0000728800000000 ]  - [   0.0000428600000000,  0.0002787000000000,  0.0000637800000000 ]  - [  -0.0000905700000000, -0.0000118300000000, -0.0000550600000000 ]  - [   0.0000961900000000,  0.0000017600000000,  0.0000020400000000 ]- atom:   29  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002395600000000,  0.0021361600000000, -0.0017767100000000 ]  - [  -0.0002844400000000,  0.0020614300000000, -0.0017021000000000 ]  - [  -0.0004112900000000,  0.0002821200000000, -0.0002160000000000 ]  - [   0.0002308100000000,  0.0003721200000000, -0.0001275300000000 ]  - [   0.0000959800000000,  0.0000486300000000, -0.0000334500000000 ]  - [   0.0000305600000000,  0.0001544200000000, -0.0001442700000000 ]  - [  -0.0001808100000000, -0.0028526400000000,  0.0005461500000000 ]  - [   0.0002606500000000, -0.0027759600000000,  0.0005574600000000 ]  - [  -0.0005073800000000,  0.0011943600000000,  0.0024652100000000 ]  - [   0.0004287300000000,  0.0013506800000000,  0.0023614700000000 ]  - [  -0.0025558600000000,  0.0002624600000000,  0.0032648800000000 ]  - [   0.0024170600000000,  0.0005617100000000,  0.0036200100000000 ]  - [  -0.0000429400000000, -0.0004880300000000, -0.0013147000000000 ]  - [  -0.0001937000000000,  0.0002240700000000,  0.0000126700000000 ]  - [  -0.0533457600000000,  0.0018571400000000,  0.0767359300000000 ]  - [   0.0561172900000000,  0.0020065400000000,  0.0801240800000000 ]  - [   0.0003101400000000,  0.0001842700000000,  0.0000166100000000 ]  - [  -0.0000799900000000,  0.0006211400000000, -0.0068050400000000 ]  - [   0.0000070800000000, -0.0001458600000000,  0.0002388000000000 ]  - [   0.0000930300000000, -0.0002503400000000, -0.0000037800000000 ]  - [  -0.0000782000000000, -0.0002479600000000,  0.0000117000000000 ]  - [  -0.0000725700000000,  0.0000880000000000, -0.0008665400000000 ]  - [   0.0001038100000000,  0.0001116500000000, -0.0008614800000000 ]  - [  -0.0000229000000000, -0.0007180600000000, -0.0000597800000000 ]  - [   0.0000368100000000,  0.0000449600000000, -0.0002837100000000 ]  - [  -0.0000862500000000,  0.0001022000000000, -0.0003505000000000 ]  - [  -0.0012802900000000,  0.0000178900000000,  0.0059869600000000 ]  - [   0.0012440100000000, -0.0000618300000000,  0.0058308800000000 ]  - [  -0.0026443300000000,  0.0004933700000000, -0.1675321600000000 ]  - [  -0.0002015200000000, -0.0001221900000000,  0.0002250500000000 ]  - [   0.0001746600000000, -0.0000870500000000,  0.0001925100000000 ]  - [   0.0008370100000000, -0.0022415600000000, -0.0006977500000000 ]  - [  -0.0009184300000000, -0.0021794900000000, -0.0007126900000000 ]  - [   0.0000576300000000,  0.0000944800000000,  0.0001265200000000 ]  - [  -0.0000199800000000,  0.0002003600000000,  0.0001340200000000 ]  - [  -0.0003248300000000,  0.0000324700000000,  0.0015743500000000 ]  - [   0.0002954800000000,  0.0000351700000000,  0.0014211500000000 ]  - [  -0.0000861200000000,  0.0018413900000000, -0.0010327300000000 ]  - [   0.0001215200000000,  0.0018109300000000, -0.0010337300000000 ]  - [  -0.0001037300000000,  0.0000117300000000,  0.0001427600000000 ]  - [   0.0001347500000000,  0.0000339900000000,  0.0001815600000000 ]  - [  -0.0000529700000000, -0.0003272300000000, -0.0054392600000000 ]  - [   0.0082375500000000,  0.0009368900000000,  0.0026497800000000 ]  - [  -0.0080735800000000,  0.0010189600000000,  0.0026742900000000 ]  - [   0.0002028500000000, -0.0002601300000000, -0.0005714200000000 ]  - [  -0.0001699500000000, -0.0002472800000000, -0.0004962200000000 ]  - [   0.0002353100000000, -0.0002514300000000,  0.0010018100000000 ]  - [  -0.0002508000000000, -0.0002024200000000,  0.0010727600000000 ]  - [  -0.0002071300000000, -0.0000626200000000,  0.0000947500000000 ]  - [   0.0001932400000000, -0.0000084800000000,  0.0001079500000000 ]  - [   0.0000603500000000,  0.0000025000000000, -0.0000843200000000 ]  - [   0.0014471300000000,  0.0000256300000000, -0.0018399400000000 ]  - [  -0.0014666000000000,  0.0000422500000000, -0.0018190200000000 ]  - [   0.0001060000000000,  0.0002025400000000,  0.0001487500000000 ]  - [  -0.0001653800000000,  0.0002154700000000,  0.0001469100000000 ]  - [  -0.0004088800000000,  0.0003270800000000, -0.0003151500000000 ]  - [   0.0004230400000000,  0.0002039800000000, -0.0003128400000000 ]  - [   0.0006153700000000, -0.0004137200000000,  0.0010483100000000 ]  - [  -0.0006235000000000, -0.0004165300000000,  0.0009247000000000 ]  - [  -0.0005571800000000,  0.0006823600000000,  0.0006555200000000 ]  - [   0.0006187200000000,  0.0006843700000000,  0.0006635500000000 ]  - [  -0.0074348100000000, -0.0040099000000000, -0.0006312700000000 ]  - [   0.0075276700000000, -0.0040110500000000, -0.0005555600000000 ]  - [  -0.0000632500000000, -0.0000131200000000,  0.0002392100000000 ]  - [  -0.0000501200000000, -0.0000602200000000, -0.0001483500000000 ]  - [   0.0000606600000000,  0.0000012600000000, -0.0001517200000000 ]  - [   0.0000652600000000, -0.0000519900000000,  0.0003291100000000 ]  - [  -0.0000642300000000, -0.0000720900000000,  0.0003916000000000 ]- atom:   30  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0101305200000000,  0.0051845600000000, -0.0049810100000000 ]  - [   0.0002059200000000,  0.0001012900000000, -0.0001743600000000 ]  - [   0.0148939400000000,  0.0021331400000000,  0.0036215600000000 ]  - [   0.0143830000000000, -0.0042780800000000, -0.0021556000000000 ]  - [   0.0341178800000000, -0.0085864100000000,  0.0077204500000000 ]  - [   0.0003640300000000, -0.0038060500000000,  0.0037495100000000 ]  - [  -0.0021966300000000, -0.0029044400000000, -0.0021695400000000 ]  - [  -0.0021203100000000,  0.0023631800000000,  0.0027717800000000 ]  - [  -0.0004786500000000, -0.0003040900000000,  0.0001931200000000 ]  - [  -0.0032226600000000,  0.0014761400000000, -0.0015363300000000 ]  - [  -0.0003805700000000, -0.0015489900000000,  0.0000363100000000 ]  - [  -0.0004622900000000,  0.0000829800000000,  0.0015814000000000 ]  - [   0.0036004300000000, -0.0006653600000000, -0.0016618100000000 ]  - [   0.0019574100000000,  0.0000365700000000, -0.0017825500000000 ]  - [   0.0011691700000000,  0.0011511100000000,  0.0011114700000000 ]  - [   0.0004480600000000, -0.0004292900000000,  0.0006535000000000 ]  - [   0.0000244800000000, -0.0019001300000000, -0.0006530200000000 ]  - [   0.0004617300000000,  0.0012022000000000, -0.0001248700000000 ]  - [   0.0007484600000000, -0.0001168000000000, -0.0019649700000000 ]  - [  -0.0030685100000000, -0.0011038800000000, -0.0024133000000000 ]  - [  -0.0069260300000000,  0.0005811100000000,  0.0008200700000000 ]  - [  -0.0005900500000000, -0.0002821100000000, -0.0000188800000000 ]  - [  -0.0045285300000000, -0.0000300700000000, -0.0001780900000000 ]  - [   0.0007791100000000,  0.0001809100000000,  0.0032320300000000 ]  - [  -0.0005475500000000, -0.0015851900000000, -0.0020039200000000 ]  - [  -0.0000300300000000,  0.0000039500000000, -0.0002587800000000 ]  - [  -0.0003415800000000,  0.0003379900000000,  0.0001585200000000 ]  - [  -0.0013736900000000,  0.0020303100000000,  0.0008697400000000 ]  - [   0.0000715600000000,  0.0001199900000000, -0.0001907700000000 ]  - [  -0.0982088000000000, -0.0055866300000000,  0.0056000700000000 ]  - [  -0.0034730900000000, -0.0010605700000000,  0.0007829900000000 ]  - [  -0.0011605000000000,  0.0005025600000000,  0.0002015800000000 ]  - [  -0.0009010400000000, -0.0006581200000000, -0.0008405700000000 ]  - [  -0.0006337300000000, -0.0072397600000000, -0.0021890300000000 ]  - [  -0.0018361800000000, -0.0000098400000000,  0.0005585800000000 ]  - [  -0.0014788700000000,  0.0040075300000000,  0.0061390600000000 ]  - [  -0.0006388700000000,  0.0000238600000000,  0.0002454100000000 ]  - [  -0.0003270000000000,  0.0011532000000000,  0.0002097600000000 ]  - [  -0.0040964900000000, -0.0038713100000000,  0.0037014000000000 ]  - [   0.0037038100000000,  0.0007311100000000, -0.0171157100000000 ]  - [   0.0034609900000000,  0.0171210500000000, -0.0010155000000000 ]  - [  -0.0000911400000000, -0.0000322600000000, -0.0001226400000000 ]  - [  -0.0004460800000000, -0.0002564400000000,  0.0001278300000000 ]  - [  -0.0005462900000000, -0.0003120800000000, -0.0001667300000000 ]  - [  -0.0005326200000000,  0.0002164600000000,  0.0006661800000000 ]  - [  -0.0001485700000000, -0.0003184200000000,  0.0002091400000000 ]  - [   0.0012661600000000,  0.0007962600000000, -0.0001209400000000 ]  - [   0.0026695500000000, -0.0039920100000000, -0.0026119100000000 ]  - [   0.0034525800000000,  0.0030854400000000,  0.0030938700000000 ]  - [   0.0014584100000000,  0.0004261900000000,  0.0017874700000000 ]  - [   0.0036064000000000,  0.0012692200000000, -0.0014725200000000 ]  - [   0.0011384900000000,  0.0006402700000000,  0.0004649000000000 ]  - [   0.0011249100000000, -0.0004408900000000, -0.0006373100000000 ]  - [   0.0039398300000000, -0.0005459300000000,  0.0010644900000000 ]  - [   0.0002341700000000,  0.0003905400000000, -0.0001296900000000 ]  - [   0.0002135200000000, -0.0001644900000000, -0.0001204200000000 ]  - [   0.0001644900000000,  0.0001994800000000, -0.0001727800000000 ]  - [   0.0003743600000000,  0.0000322600000000, -0.0000504700000000 ]  - [   0.0002665000000000,  0.0001084300000000,  0.0004627800000000 ]  - [   0.0006821700000000, -0.0004883200000000, -0.0001927200000000 ]  - [   0.0007734400000000,  0.0000067200000000, -0.0000108300000000 ]  - [   0.0002418700000000,  0.0004672500000000, -0.0004350400000000 ]  - [   0.0064738200000000,  0.0053751500000000, -0.0053802600000000 ]  - [   0.0127652100000000, -0.0037724900000000,  0.0074367900000000 ]  - [   0.0001757500000000, -0.0001706300000000, -0.0016577500000000 ]  - [   0.0056570800000000, -0.0033704200000000, -0.0061464500000000 ]  - [   0.0038457200000000,  0.0064415000000000,  0.0032700300000000 ]  - [  -0.0002586100000000, -0.0001483900000000,  0.0003152900000000 ]- atom:   30  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0103714100000000, -0.0057024600000000,  0.0054917900000000 ]  - [  -0.0002479100000000, -0.0000743000000000,  0.0001440300000000 ]  - [  -0.0149080400000000, -0.0022819900000000, -0.0038585800000000 ]  - [  -0.0144002900000000,  0.0045345400000000,  0.0023097200000000 ]  - [  -0.0316646700000000,  0.0079487100000000, -0.0070948700000000 ]  - [  -0.0001431900000000,  0.0039371500000000, -0.0038841300000000 ]  - [   0.0021732700000000,  0.0029012100000000,  0.0021743700000000 ]  - [   0.0021318400000000, -0.0023354000000000, -0.0027703400000000 ]  - [   0.0003381000000000,  0.0001458600000000, -0.0000553100000000 ]  - [   0.0030638500000000, -0.0013121700000000,  0.0013888800000000 ]  - [   0.0005158300000000,  0.0014406400000000, -0.0001672700000000 ]  - [   0.0005710200000000,  0.0000482700000000, -0.0014690700000000 ]  - [  -0.0036136000000000,  0.0006618200000000,  0.0016516900000000 ]  - [  -0.0019378800000000, -0.0000808600000000,  0.0017644500000000 ]  - [  -0.0011708300000000, -0.0011257500000000, -0.0011244700000000 ]  - [  -0.0004508700000000,  0.0004284600000000, -0.0006420600000000 ]  - [  -0.0000347000000000,  0.0019256300000000,  0.0006518900000000 ]  - [  -0.0003997100000000, -0.0011887500000000,  0.0001352300000000 ]  - [  -0.0007571200000000,  0.0001175900000000,  0.0019409900000000 ]  - [   0.0030445700000000,  0.0011166100000000,  0.0024061000000000 ]  - [   0.0068915900000000, -0.0006196800000000, -0.0007882600000000 ]  - [   0.0005776900000000,  0.0002793600000000,  0.0000172600000000 ]  - [   0.0044912800000000,  0.0000408000000000,  0.0001859800000000 ]  - [  -0.0007765600000000, -0.0001759900000000, -0.0032538700000000 ]  - [   0.0005397900000000,  0.0015854500000000,  0.0020789500000000 ]  - [   0.0000088000000000,  0.0000018800000000,  0.0001903600000000 ]  - [   0.0003346300000000, -0.0002655600000000, -0.0001633400000000 ]  - [   0.0013691200000000, -0.0021093600000000, -0.0008790000000000 ]  - [   0.0000658500000000, -0.0001177400000000,  0.0001861500000000 ]  - [   0.0961392100000000,  0.0061824200000000, -0.0061767900000000 ]  - [   0.0034196600000000,  0.0009694000000000, -0.0006860000000000 ]  - [   0.0010695000000000, -0.0004817200000000, -0.0001770600000000 ]  - [   0.0008176900000000,  0.0006490000000000,  0.0008123400000000 ]  - [   0.0005434700000000,  0.0071431400000000,  0.0021740800000000 ]  - [   0.0018131600000000,  0.0001418100000000, -0.0005498000000000 ]  - [   0.0014263200000000, -0.0040135500000000, -0.0060614200000000 ]  - [   0.0006269200000000, -0.0000377000000000, -0.0003565200000000 ]  - [   0.0003905000000000, -0.0011513200000000, -0.0001925500000000 ]  - [   0.0041153700000000,  0.0038668400000000, -0.0036749200000000 ]  - [  -0.0036956000000000, -0.0007383900000000,  0.0168239400000000 ]  - [  -0.0034599800000000, -0.0168287300000000,  0.0010130700000000 ]  - [  -0.0000483400000000,  0.0000342100000000,  0.0001203400000000 ]  - [   0.0004484500000000,  0.0001829800000000, -0.0001247600000000 ]  - [   0.0005376800000000,  0.0003678200000000,  0.0001624400000000 ]  - [   0.0005293100000000, -0.0002179000000000, -0.0007212800000000 ]  - [   0.0001628500000000,  0.0003186300000000, -0.0001440600000000 ]  - [  -0.0012836600000000, -0.0007907600000000,  0.0000476500000000 ]  - [  -0.0026340900000000,  0.0039235600000000,  0.0026296900000000 ]  - [  -0.0033855100000000, -0.0030917600000000, -0.0030590400000000 ]  - [  -0.0014563000000000, -0.0003643800000000, -0.0017953500000000 ]  - [  -0.0034475800000000, -0.0012517700000000,  0.0014411200000000 ]  - [  -0.0011584900000000, -0.0006714400000000, -0.0004919000000000 ]  - [  -0.0011480200000000,  0.0004691600000000,  0.0006725500000000 ]  - [  -0.0039748700000000,  0.0005451300000000, -0.0010780000000000 ]  - [  -0.0002958300000000, -0.0003925600000000,  0.0001212200000000 ]  - [  -0.0002087000000000,  0.0003024100000000,  0.0001258600000000 ]  - [  -0.0001642100000000, -0.0003298100000000,  0.0001774600000000 ]  - [  -0.0003704300000000, -0.0000202700000000,  0.0001911800000000 ]  - [  -0.0002599400000000, -0.0001010900000000, -0.0006045700000000 ]  - [  -0.0006024200000000,  0.0004858100000000,  0.0001924800000000 ]  - [  -0.0006970300000000, -0.0000061700000000,  0.0000178400000000 ]  - [  -0.0002053600000000, -0.0005000000000000,  0.0004682500000000 ]  - [  -0.0064413900000000, -0.0053396300000000,  0.0053420500000000 ]  - [  -0.0129864300000000,  0.0038452100000000, -0.0075189900000000 ]  - [  -0.0001438600000000,  0.0000794200000000,  0.0016820000000000 ]  - [  -0.0056766300000000,  0.0034745000000000,  0.0062196300000000 ]  - [  -0.0038307400000000, -0.0064854200000000, -0.0033632100000000 ]  - [   0.0002948800000000,  0.0001089200000000, -0.0002262200000000 ]