# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/17596082-3044-4be6-8007-6bb9ea86dac2/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 Cs2S / Pnma (62) / materials id 540703](https://mdr.nims.go.jp/datasets/bec54d2a-47cd-4ceb-a510-c2034d7e0d8c)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     8.534113809999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.291765560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.291867020000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.475953400000000,  0.750000000000000,  0.170293130000000 ]    mass: 132.905452  - symbol: Cs # 2    coordinates: [  0.524046600000000,  0.250000000000000,  0.829706870000000 ]    mass: 132.905452  - symbol: Cs # 3    coordinates: [  0.975953400000000,  0.750000000000000,  0.329706870000000 ]    mass: 132.905452  - symbol: Cs # 4    coordinates: [  0.024046600000000,  0.250000000000000,  0.670293130000000 ]    mass: 132.905452  - symbol: Cs # 5    coordinates: [  0.356232610000000,  0.750000000000000,  0.574453900000000 ]    mass: 132.905452  - symbol: Cs # 6    coordinates: [  0.643767390000000,  0.250000000000000,  0.425546100000000 ]    mass: 132.905452  - symbol: Cs # 7    coordinates: [  0.856232610000000,  0.750000000000000,  0.925546100000000 ]    mass: 132.905452  - symbol: Cs # 8    coordinates: [  0.143767390000000,  0.250000000000000,  0.074453900000000 ]    mass: 132.905452  - symbol: S  # 9    coordinates: [  0.255381230000000,  0.750000000000000,  0.889836230000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.744618770000000,  0.250000000000000,  0.110163770000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.755381230000000,  0.750000000000000,  0.610163770000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.244618770000000,  0.250000000000000,  0.389836230000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.117176782764279,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.188972846332973,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.097164100357760 ] # c*unit_cell:  lattice:  - [     8.534113809999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.291765560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.291867020000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.475953400000000,  0.750000000000000,  0.170293130000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.524046600000000,  0.250000000000000,  0.829706870000000 ]    mass: 132.905452    reduced_to: 2  - symbol: Cs # 3    coordinates: [  0.975953400000000,  0.750000000000000,  0.329706870000000 ]    mass: 132.905452    reduced_to: 3  - symbol: Cs # 4    coordinates: [  0.024046600000000,  0.250000000000000,  0.670293130000000 ]    mass: 132.905452    reduced_to: 4  - symbol: Cs # 5    coordinates: [  0.356232610000000,  0.750000000000000,  0.574453900000000 ]    mass: 132.905452    reduced_to: 5  - symbol: Cs # 6    coordinates: [  0.643767390000000,  0.250000000000000,  0.425546100000000 ]    mass: 132.905452    reduced_to: 6  - symbol: Cs # 7    coordinates: [  0.856232610000000,  0.750000000000000,  0.925546100000000 ]    mass: 132.905452    reduced_to: 7  - symbol: Cs # 8    coordinates: [  0.143767390000000,  0.250000000000000,  0.074453900000000 ]    mass: 132.905452    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.255381230000000,  0.750000000000000,  0.889836230000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.744618770000000,  0.250000000000000,  0.110163770000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.755381230000000,  0.750000000000000,  0.610163770000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.244618770000000,  0.250000000000000,  0.389836230000000 ]    mass: 32.065000    reduced_to: 12supercell:  lattice:  - [    17.068227619999998,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.875296680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.583734040000000 ] # c  points:  - symbol: Cs # 1    coordinates: [  0.237976700000000,  0.250000000000000,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.737976700000000,  0.250000000000000,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 3    coordinates: [  0.237976700000000,  0.583333333333333,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 4    coordinates: [  0.737976700000000,  0.583333333333333,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 5    coordinates: [  0.237976700000000,  0.916666666666667,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 6    coordinates: [  0.737976700000000,  0.916666666666667,  0.085146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 7    coordinates: [  0.237976700000000,  0.250000000000000,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 8    coordinates: [  0.737976700000000,  0.250000000000000,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 9    coordinates: [  0.237976700000000,  0.583333333333333,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 10    coordinates: [  0.737976700000000,  0.583333333333333,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 11    coordinates: [  0.237976700000000,  0.916666666666667,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 12    coordinates: [  0.737976700000000,  0.916666666666667,  0.585146565000000 ]    mass: 132.905452    reduced_to: 1  - symbol: Cs # 13    coordinates: [  0.262023300000000,  0.083333333333333,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 14    coordinates: [  0.762023300000000,  0.083333333333333,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 15    coordinates: [  0.262023300000000,  0.416666666666667,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 16    coordinates: [  0.762023300000000,  0.416666666666667,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 17    coordinates: [  0.262023300000000,  0.750000000000000,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 18    coordinates: [  0.762023300000000,  0.750000000000000,  0.414853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 19    coordinates: [  0.262023300000000,  0.083333333333333,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 20    coordinates: [  0.762023300000000,  0.083333333333333,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 21    coordinates: [  0.262023300000000,  0.416666666666667,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 22    coordinates: [  0.762023300000000,  0.416666666666667,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 23    coordinates: [  0.262023300000000,  0.750000000000000,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 24    coordinates: [  0.762023300000000,  0.750000000000000,  0.914853435000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 25    coordinates: [  0.487976700000000,  0.250000000000000,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 26    coordinates: [  0.987976700000000,  0.250000000000000,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 27    coordinates: [  0.487976700000000,  0.583333333333333,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 28    coordinates: [  0.987976700000000,  0.583333333333333,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 29    coordinates: [  0.487976700000000,  0.916666666666667,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 30    coordinates: [  0.987976700000000,  0.916666666666667,  0.164853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 31    coordinates: [  0.487976700000000,  0.250000000000000,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 32    coordinates: [  0.987976700000000,  0.250000000000000,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 33    coordinates: [  0.487976700000000,  0.583333333333333,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 34    coordinates: [  0.987976700000000,  0.583333333333333,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 35    coordinates: [  0.487976700000000,  0.916666666666667,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 36    coordinates: [  0.987976700000000,  0.916666666666667,  0.664853435000000 ]    mass: 132.905452    reduced_to: 25  - symbol: Cs # 37    coordinates: [  0.012023300000000,  0.083333333333333,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 38    coordinates: [  0.512023300000000,  0.083333333333333,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 39    coordinates: [  0.012023300000000,  0.416666666666667,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 40    coordinates: [  0.512023300000000,  0.416666666666667,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 41    coordinates: [  0.012023300000000,  0.750000000000000,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 42    coordinates: [  0.512023300000000,  0.750000000000000,  0.335146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 43    coordinates: [  0.012023300000000,  0.083333333333333,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 44    coordinates: [  0.512023300000000,  0.083333333333333,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 45    coordinates: [  0.012023300000000,  0.416666666666667,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 46    coordinates: [  0.512023300000000,  0.416666666666667,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 47    coordinates: [  0.012023300000000,  0.750000000000000,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 48    coordinates: [  0.512023300000000,  0.750000000000000,  0.835146565000000 ]    mass: 132.905452    reduced_to: 37  - symbol: Cs # 49    coordinates: [  0.178116305000000,  0.250000000000000,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 50    coordinates: [  0.678116305000000,  0.250000000000000,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 51    coordinates: [  0.178116305000000,  0.583333333333333,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 52    coordinates: [  0.678116305000000,  0.583333333333333,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 53    coordinates: [  0.178116305000000,  0.916666666666667,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 54    coordinates: [  0.678116305000000,  0.916666666666667,  0.287226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 55    coordinates: [  0.178116305000000,  0.250000000000000,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 56    coordinates: [  0.678116305000000,  0.250000000000000,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 57    coordinates: [  0.178116305000000,  0.583333333333333,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 58    coordinates: [  0.678116305000000,  0.583333333333333,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 59    coordinates: [  0.178116305000000,  0.916666666666667,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 60    coordinates: [  0.678116305000000,  0.916666666666667,  0.787226950000000 ]    mass: 132.905452    reduced_to: 49  - symbol: Cs # 61    coordinates: [  0.321883695000000,  0.083333333333333,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 62    coordinates: [  0.821883695000000,  0.083333333333333,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 63    coordinates: [  0.321883695000000,  0.416666666666667,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 64    coordinates: [  0.821883695000000,  0.416666666666667,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 65    coordinates: [  0.321883695000000,  0.750000000000000,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 66    coordinates: [  0.821883695000000,  0.750000000000000,  0.212773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 67    coordinates: [  0.321883695000000,  0.083333333333333,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 68    coordinates: [  0.821883695000000,  0.083333333333333,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 69    coordinates: [  0.321883695000000,  0.416666666666667,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 70    coordinates: [  0.821883695000000,  0.416666666666667,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 71    coordinates: [  0.321883695000000,  0.750000000000000,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 72    coordinates: [  0.821883695000000,  0.750000000000000,  0.712773050000000 ]    mass: 132.905452    reduced_to: 61  - symbol: Cs # 73    coordinates: [  0.428116305000000,  0.250000000000000,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 74    coordinates: [  0.928116305000000,  0.250000000000000,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 75    coordinates: [  0.428116305000000,  0.583333333333333,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 76    coordinates: [  0.928116305000000,  0.583333333333333,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 77    coordinates: [  0.428116305000000,  0.916666666666667,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 78    coordinates: [  0.928116305000000,  0.916666666666667,  0.462773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 79    coordinates: [  0.428116305000000,  0.250000000000000,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 80    coordinates: [  0.928116305000000,  0.250000000000000,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 81    coordinates: [  0.428116305000000,  0.583333333333333,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 82    coordinates: [  0.928116305000000,  0.583333333333333,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 83    coordinates: [  0.428116305000000,  0.916666666666667,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 84    coordinates: [  0.928116305000000,  0.916666666666667,  0.962773050000000 ]    mass: 132.905452    reduced_to: 73  - symbol: Cs # 85    coordinates: [  0.071883695000000,  0.083333333333333,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 86    coordinates: [  0.571883695000000,  0.083333333333333,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 87    coordinates: [  0.071883695000000,  0.416666666666667,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 88    coordinates: [  0.571883695000000,  0.416666666666667,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 89    coordinates: [  0.071883695000000,  0.750000000000000,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 90    coordinates: [  0.571883695000000,  0.750000000000000,  0.037226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 91    coordinates: [  0.071883695000000,  0.083333333333333,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 92    coordinates: [  0.571883695000000,  0.083333333333333,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 93    coordinates: [  0.071883695000000,  0.416666666666667,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 94    coordinates: [  0.571883695000000,  0.416666666666667,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 95    coordinates: [  0.071883695000000,  0.750000000000000,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: Cs # 96    coordinates: [  0.571883695000000,  0.750000000000000,  0.537226950000000 ]    mass: 132.905452    reduced_to: 85  - symbol: S  # 97    coordinates: [  0.127690615000000,  0.250000000000000,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 98    coordinates: [  0.627690615000000,  0.250000000000000,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 99    coordinates: [  0.127690615000000,  0.583333333333333,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 100    coordinates: [  0.627690615000000,  0.583333333333333,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 101    coordinates: [  0.127690615000000,  0.916666666666667,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 102    coordinates: [  0.627690615000000,  0.916666666666667,  0.444918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 103    coordinates: [  0.127690615000000,  0.250000000000000,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 104    coordinates: [  0.627690615000000,  0.250000000000000,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 105    coordinates: [  0.127690615000000,  0.583333333333333,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 106    coordinates: [  0.627690615000000,  0.583333333333333,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 107    coordinates: [  0.127690615000000,  0.916666666666667,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 108    coordinates: [  0.627690615000000,  0.916666666666667,  0.944918115000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 109    coordinates: [  0.372309385000000,  0.083333333333333,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 110    coordinates: [  0.872309385000000,  0.083333333333333,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 111    coordinates: [  0.372309385000000,  0.416666666666667,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 112    coordinates: [  0.872309385000000,  0.416666666666667,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 113    coordinates: [  0.372309385000000,  0.750000000000000,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 114    coordinates: [  0.872309385000000,  0.750000000000000,  0.055081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 115    coordinates: [  0.372309385000000,  0.083333333333333,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 116    coordinates: [  0.872309385000000,  0.083333333333333,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 117    coordinates: [  0.372309385000000,  0.416666666666667,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 118    coordinates: [  0.872309385000000,  0.416666666666667,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 119    coordinates: [  0.372309385000000,  0.750000000000000,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 120    coordinates: [  0.872309385000000,  0.750000000000000,  0.555081885000000 ]    mass: 32.065000    reduced_to: 109  - symbol: S  # 121    coordinates: [  0.377690615000000,  0.250000000000000,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 122    coordinates: [  0.877690615000000,  0.250000000000000,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 123    coordinates: [  0.377690615000000,  0.583333333333333,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 124    coordinates: [  0.877690615000000,  0.583333333333333,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 125    coordinates: [  0.377690615000000,  0.916666666666667,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 126    coordinates: [  0.877690615000000,  0.916666666666667,  0.305081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 127    coordinates: [  0.377690615000000,  0.250000000000000,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 128    coordinates: [  0.877690615000000,  0.250000000000000,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 129    coordinates: [  0.377690615000000,  0.583333333333333,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 130    coordinates: [  0.877690615000000,  0.583333333333333,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 131    coordinates: [  0.377690615000000,  0.916666666666667,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 132    coordinates: [  0.877690615000000,  0.916666666666667,  0.805081885000000 ]    mass: 32.065000    reduced_to: 121  - symbol: S  # 133    coordinates: [  0.122309385000000,  0.083333333333333,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 134    coordinates: [  0.622309385000000,  0.083333333333333,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 135    coordinates: [  0.122309385000000,  0.416666666666667,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 136    coordinates: [  0.622309385000000,  0.416666666666667,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 137    coordinates: [  0.122309385000000,  0.750000000000000,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 138    coordinates: [  0.622309385000000,  0.750000000000000,  0.194918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 139    coordinates: [  0.122309385000000,  0.083333333333333,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 140    coordinates: [  0.622309385000000,  0.083333333333333,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 141    coordinates: [  0.122309385000000,  0.416666666666667,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 142    coordinates: [  0.622309385000000,  0.416666666666667,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 143    coordinates: [  0.122309385000000,  0.750000000000000,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133  - symbol: S  # 144    coordinates: [  0.622309385000000,  0.750000000000000,  0.694918115000000 ]    mass: 32.065000    reduced_to: 133born_effective_charge:- # 1 (Cs)  - [  1.286299840000000,  0.000000000000000,  0.002038960000000 ]  - [  0.000000000000000,  1.326642520000000,  0.000000000000000 ]  - [ -0.021426750000000,  0.000000000000000,  1.186576520000000 ]- # 2 (Cs)  - [  1.286299840000000,  0.000000000000000,  0.002038960000000 ]  - [  0.000000000000000,  1.326642520000000,  0.000000000000000 ]  - [ -0.021426750000000,  0.000000000000000,  1.186576520000000 ]- # 3 (Cs)  - [  1.286299840000000,  0.000000000000000, -0.002038960000000 ]  - [  0.000000000000000,  1.326642520000000,  0.000000000000000 ]  - [  0.021426750000000,  0.000000000000000,  1.186576520000000 ]- # 4 (Cs)  - [  1.286299840000000,  0.000000000000000, -0.002038960000000 ]  - [  0.000000000000000,  1.326642520000000,  0.000000000000000 ]  - [  0.021426750000000,  0.000000000000000,  1.186576520000000 ]- # 5 (Cs)  - [  1.107658150000000,  0.000000000000000,  0.076965490000000 ]  - [  0.000000000000000,  1.033213100000000,  0.000000000000000 ]  - [  0.074874330000000,  0.000000000000000,  1.228894410000000 ]- # 6 (Cs)  - [  1.107658150000000,  0.000000000000000,  0.076965490000000 ]  - [  0.000000000000000,  1.033213100000000,  0.000000000000000 ]  - [  0.074874330000000,  0.000000000000000,  1.228894410000000 ]- # 7 (Cs)  - [  1.107658150000000,  0.000000000000000, -0.076965490000000 ]  - [  0.000000000000000,  1.033213100000000,  0.000000000000000 ]  - [ -0.074874330000000,  0.000000000000000,  1.228894410000000 ]- # 8 (Cs)  - [  1.107658150000000,  0.000000000000000, -0.076965490000000 ]  - [  0.000000000000000,  1.033213100000000,  0.000000000000000 ]  - [ -0.074874330000000,  0.000000000000000,  1.228894410000000 ]- # 9 (S)  - [ -2.393957990000000,  0.000000000000000,  0.023957680000000 ]  - [  0.000000000000000, -2.359855620000000,  0.000000000000000 ]  - [  0.088976620000000,  0.000000000000000, -2.415470930000000 ]- # 10 (S)  - [ -2.393957990000000,  0.000000000000000,  0.023957680000000 ]  - [  0.000000000000000, -2.359855620000000,  0.000000000000000 ]  - [  0.088976620000000,  0.000000000000000, -2.415470930000000 ]- # 11 (S)  - [ -2.393957990000000,  0.000000000000000, -0.023957680000000 ]  - [  0.000000000000000, -2.359855620000000,  0.000000000000000 ]  - [ -0.088976620000000,  0.000000000000000, -2.415470930000000 ]- # 12 (S)  - [ -2.393957990000000,  0.000000000000000, -0.023957680000000 ]  - [  0.000000000000000, -2.359855620000000,  0.000000000000000 ]  - [ -0.088976620000000,  0.000000000000000, -2.415470930000000 ]dielectric_constant:  - [  4.250151570000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.124002080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.268115530000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0152484900000000,  0.0000000000000000, -0.0041053700000000 ]  - [  -0.0015136300000000,  0.0000000000000000, -0.0004691700000000 ]  - [  -0.0022618700000000,  0.0000305500000000, -0.0004573100000000 ]  - [  -0.0016734500000000, -0.0000051300000000, -0.0004918900000000 ]  - [  -0.0022618700000000, -0.0000305500000000, -0.0004573100000000 ]  - [  -0.0016734500000000,  0.0000051300000000, -0.0004918900000000 ]  - [  -0.0019252400000000,  0.0000000000000000, -0.0004777400000000 ]  - [  -0.0017778300000000,  0.0000000000000000, -0.0004944200000000 ]  - [  -0.0018884300000000, -0.0000006500000000, -0.0004913400000000 ]  - [  -0.0017939000000000, -0.0000004600000000, -0.0004902500000000 ]  - [  -0.0018884300000000,  0.0000006500000000, -0.0004913400000000 ]  - [  -0.0017939000000000,  0.0000004600000000, -0.0004902500000000 ]  - [   0.0016812000000000, -0.0000207700000000,  0.0005026300000000 ]  - [   0.0019296300000000,  0.0000210400000000,  0.0004872300000000 ]  - [   0.0016812000000000,  0.0000207700000000,  0.0005026300000000 ]  - [   0.0019296300000000, -0.0000210400000000,  0.0004872300000000 ]  - [   0.0017459000000000,  0.0000000000000000,  0.0004860900000000 ]  - [   0.0018911900000000,  0.0000000000000000,  0.0004971600000000 ]  - [   0.0010202100000000, -0.0000350700000000,  0.0001579300000000 ]  - [   0.0020208200000000, -0.0000106000000000,  0.0005145400000000 ]  - [   0.0010202100000000,  0.0000350700000000,  0.0001579300000000 ]  - [   0.0020208200000000,  0.0000106000000000,  0.0005145400000000 ]  - [   0.0016969900000000,  0.0000000000000000,  0.0004577900000000 ]  - [   0.0019295400000000,  0.0000000000000000,  0.0005007000000000 ]  - [  -0.0003354800000000,  0.0000000000000000,  0.0013450200000000 ]  - [  -0.0003262400000000,  0.0000000000000000, -0.0002491600000000 ]  - [  -0.0017321700000000,  0.0001704600000000,  0.0005763000000000 ]  - [  -0.0017300200000000, -0.0001950400000000,  0.0004388200000000 ]  - [  -0.0017321700000000, -0.0001704600000000,  0.0005763000000000 ]  - [  -0.0017300200000000,  0.0001950400000000,  0.0004388200000000 ]  - [  -0.0018174000000000,  0.0000000000000000,  0.0004680000000000 ]  - [  -0.0018174600000000,  0.0000000000000000,  0.0005224700000000 ]  - [  -0.0018318800000000,  0.0000109400000000,  0.0004817600000000 ]  - [  -0.0018317400000000, -0.0000154400000000,  0.0005088800000000 ]  - [  -0.0018318800000000, -0.0000109400000000,  0.0004817600000000 ]  - [  -0.0018317400000000,  0.0000154400000000,  0.0005088800000000 ]  - [   0.0019114900000000,  0.0000574300000000, -0.0006353800000000 ]  - [   0.0019217900000000, -0.0000780400000000, -0.0003810300000000 ]  - [   0.0019114900000000, -0.0000574300000000, -0.0006353800000000 ]  - [   0.0019217900000000,  0.0000780400000000, -0.0003810300000000 ]  - [   0.0018517000000000,  0.0000000000000000, -0.0005219600000000 ]  - [   0.0018604400000000,  0.0000000000000000, -0.0004518500000000 ]  - [   0.0019109800000000,  0.0001099800000000, -0.0003151200000000 ]  - [   0.0019226400000000, -0.0001016600000000, -0.0006653600000000 ]  - [   0.0019109800000000, -0.0001099800000000, -0.0003151200000000 ]  - [   0.0019226400000000,  0.0001016600000000, -0.0006653600000000 ]  - [   0.0018504800000000,  0.0000000000000000, -0.0004490900000000 ]  - [   0.0018609200000000,  0.0000000000000000, -0.0005564100000000 ]  - [   0.0004519800000000,  0.0000000000000000, -0.0018151200000000 ]  - [   0.0011751600000000,  0.0000000000000000, -0.0008796600000000 ]  - [   0.0008100300000000, -0.0000138100000000, -0.0010314000000000 ]  - [   0.0010651500000000,  0.0000077400000000, -0.0009455900000000 ]  - [   0.0008100300000000,  0.0000138100000000, -0.0010314000000000 ]  - [   0.0010651500000000, -0.0000077400000000, -0.0009455900000000 ]  - [   0.0008573400000000,  0.0000000000000000, -0.0007977900000000 ]  - [   0.0010501300000000,  0.0000000000000000, -0.0010415100000000 ]  - [   0.0009090500000000,  0.0000073500000000, -0.0009634200000000 ]  - [   0.0010243200000000,  0.0000051000000000, -0.0010055700000000 ]  - [   0.0009090500000000, -0.0000073500000000, -0.0009634200000000 ]  - [   0.0010243200000000, -0.0000051000000000, -0.0010055700000000 ]  - [  -0.0012511600000000, -0.0012595400000000,  0.0023034500000000 ]  - [  -0.0007818300000000,  0.0000663900000000,  0.0009524200000000 ]  - [  -0.0012511600000000,  0.0012595400000000,  0.0023034500000000 ]  - [  -0.0007818300000000, -0.0000663900000000,  0.0009524200000000 ]  - [  -0.0010798600000000,  0.0000000000000000,  0.0010333100000000 ]  - [  -0.0008909000000000,  0.0000000000000000,  0.0009806600000000 ]  - [  -0.0010502800000000, -0.0000006300000000,  0.0009510900000000 ]  - [  -0.0009199100000000,  0.0000041100000000,  0.0010138000000000 ]  - [  -0.0010502800000000,  0.0000006300000000,  0.0009510900000000 ]  - [  -0.0009199100000000, -0.0000041100000000,  0.0010138000000000 ]  - [  -0.0010161700000000,  0.0000000000000000,  0.0009775600000000 ]  - [  -0.0009406200000000,  0.0000000000000000,  0.0010018500000000 ]  - [   0.0009488700000000,  0.0000000000000000,  0.0010658300000000 ]  - [   0.0010099400000000,  0.0000000000000000,  0.0009190900000000 ]  - [   0.0009588100000000,  0.0000099600000000,  0.0010314000000000 ]  - [   0.0010004000000000, -0.0000239800000000,  0.0009620200000000 ]  - [   0.0009588100000000, -0.0000099600000000,  0.0010314000000000 ]  - [   0.0010004000000000,  0.0000239800000000,  0.0009620200000000 ]  - [   0.0029021700000000,  0.0000000000000000, -0.0013396900000000 ]  - [   0.0014467600000000,  0.0000000000000000,  0.0012072700000000 ]  - [   0.0010152300000000,  0.0001920100000000,  0.0008134500000000 ]  - [   0.0011062900000000, -0.0001303700000000,  0.0010884300000000 ]  - [   0.0010152300000000, -0.0001920100000000,  0.0008134500000000 ]  - [   0.0011062900000000,  0.0001303700000000,  0.0010884300000000 ]  - [   0.0005671100000000,  0.0022255100000000, -0.0001564100000000 ]  - [  -0.0006129700000000, -0.0001563700000000, -0.0010354200000000 ]  - [   0.0005671100000000, -0.0022255100000000, -0.0001564100000000 ]  - [  -0.0006129700000000,  0.0001563700000000, -0.0010354200000000 ]  - [  -0.0010354000000000,  0.0000000000000000, -0.0010162800000000 ]  - [  -0.0008939300000000,  0.0000000000000000, -0.0009742400000000 ]  - [  -0.0009984900000000,  0.0000145900000000, -0.0010011700000000 ]  - [  -0.0009482800000000, -0.0000142600000000, -0.0009773900000000 ]  - [  -0.0009984900000000, -0.0000145900000000, -0.0010011700000000 ]  - [  -0.0009482800000000,  0.0000142600000000, -0.0009773900000000 ]  - [  -0.0009877900000000,  0.0000000000000000, -0.0009922000000000 ]  - [  -0.0009619400000000,  0.0000000000000000, -0.0009779100000000 ]  - [   0.0006697700000000,  0.0000000000000000, -0.0003016700000000 ]  - [   0.0004289600000000,  0.0000000000000000, -0.0005393700000000 ]  - [   0.0006436100000000,  0.0000246400000000, -0.0004060900000000 ]  - [   0.0004874600000000, -0.0000080300000000, -0.0005402300000000 ]  - [   0.0006436100000000, -0.0000246400000000, -0.0004060900000000 ]  - [   0.0004874600000000,  0.0000080300000000, -0.0005402300000000 ]  - [   0.0032860000000000,  0.0000000000000000,  0.0012707200000000 ]  - [  -0.0002638200000000,  0.0000000000000000, -0.0003543700000000 ]  - [   0.0009591300000000,  0.0003874300000000, -0.0007481900000000 ]  - [   0.0003317800000000, -0.0000978100000000, -0.0004135600000000 ]  - [   0.0009591300000000, -0.0003874300000000, -0.0007481900000000 ]  - [   0.0003317800000000,  0.0000978100000000, -0.0004135600000000 ]  - [   0.0017767800000000, -0.0009581100000000,  0.0003170000000000 ]  - [  -0.0013049100000000, -0.0001504200000000,  0.0004819500000000 ]  - [   0.0017767800000000,  0.0009581100000000,  0.0003170000000000 ]  - [  -0.0013049100000000,  0.0001504200000000,  0.0004819500000000 ]  - [  -0.0004092200000000,  0.0000000000000000,  0.0004839600000000 ]  - [  -0.0007216400000000,  0.0000000000000000,  0.0004852400000000 ]  - [  -0.0004972100000000,  0.0000330400000000,  0.0004862300000000 ]  - [  -0.0006391900000000, -0.0000225400000000,  0.0005261700000000 ]  - [  -0.0004972100000000, -0.0000330400000000,  0.0004862300000000 ]  - [  -0.0006391900000000,  0.0000225400000000,  0.0005261700000000 ]  - [  -0.0005182500000000,  0.0000000000000000,  0.0004952500000000 ]  - [  -0.0006195200000000,  0.0000000000000000,  0.0005064300000000 ]  - [   0.0006772500000000,  0.0000000000000000, -0.0004639700000000 ]  - [   0.0001425000000000,  0.0000000000000000,  0.0008792800000000 ]  - [   0.0006571000000000, -0.0002663800000000,  0.0002615500000000 ]  - [   0.0004017600000000,  0.0000757600000000,  0.0005707000000000 ]  - [   0.0006571000000000,  0.0002663800000000,  0.0002615500000000 ]  - [   0.0004017600000000, -0.0000757600000000,  0.0005707000000000 ]  - [   0.0009113300000000,  0.0000000000000000,  0.0011073500000000 ]  - [   0.0003527000000000,  0.0000000000000000,  0.0003248600000000 ]  - [   0.0006906600000000, -0.0000515900000000,  0.0006231000000000 ]  - [   0.0004368600000000,  0.0000457500000000,  0.0004450100000000 ]  - [   0.0006906600000000,  0.0000515900000000,  0.0006231000000000 ]  - [   0.0004368600000000, -0.0000457500000000,  0.0004450100000000 ]  - [   0.0000048900000000, -0.0009264400000000,  0.0004900200000000 ]  - [  -0.0010517000000000,  0.0002280200000000, -0.0006603900000000 ]  - [   0.0000048900000000,  0.0009264400000000,  0.0004900200000000 ]  - [  -0.0010517000000000, -0.0002280200000000, -0.0006603900000000 ]  - [  -0.0003890200000000,  0.0000000000000000, -0.0005713800000000 ]  - [  -0.0007786800000000,  0.0000000000000000, -0.0005123500000000 ]  - [  -0.0004856400000000, -0.0000768200000000, -0.0005787700000000 ]  - [  -0.0006719700000000,  0.0000212100000000, -0.0004342600000000 ]  - [  -0.0004856400000000,  0.0000768200000000, -0.0005787700000000 ]  - [  -0.0006719700000000, -0.0000212100000000, -0.0004342600000000 ]  - [  -0.0005148600000000,  0.0000000000000000, -0.0005179700000000 ]  - [  -0.0006310400000000,  0.0000000000000000, -0.0004658500000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0113356800000000,  0.0000000000000000,  0.0026133500000000 ]  - [  -0.0021525000000000,  0.0000000000000000, -0.0005133400000000 ]  - [  -0.0014037400000000, -0.0000445400000000, -0.0005254400000000 ]  - [  -0.0019969000000000,  0.0000055500000000, -0.0004918300000000 ]  - [  -0.0014037400000000,  0.0000445400000000, -0.0005254400000000 ]  - [  -0.0019969000000000, -0.0000055500000000, -0.0004918300000000 ]  - [  -0.0017457800000000,  0.0000000000000000, -0.0005058300000000 ]  - [  -0.0018923100000000,  0.0000000000000000, -0.0004881600000000 ]  - [  -0.0017820100000000,  0.0000006100000000, -0.0004921100000000 ]  - [  -0.0018762200000000,  0.0000004300000000, -0.0004929500000000 ]  - [  -0.0017820100000000, -0.0000006100000000, -0.0004921100000000 ]  - [  -0.0018762200000000, -0.0000004300000000, -0.0004929500000000 ]  - [   0.0019922900000000,  0.0000196600000000,  0.0004907900000000 ]  - [   0.0017439200000000, -0.0000214100000000,  0.0005058500000000 ]  - [   0.0019922900000000, -0.0000196600000000,  0.0004907900000000 ]  - [   0.0017439200000000,  0.0000214100000000,  0.0005058500000000 ]  - [   0.0019275700000000,  0.0000000000000000,  0.0005051500000000 ]  - [   0.0017819300000000,  0.0000000000000000,  0.0004952900000000 ]  - [   0.0026483000000000,  0.0000473700000000,  0.0008513600000000 ]  - [   0.0016525500000000,  0.0000108500000000,  0.0004779100000000 ]  - [   0.0026483000000000, -0.0000473700000000,  0.0008513600000000 ]  - [   0.0016525500000000, -0.0000108500000000,  0.0004779100000000 ]  - [   0.0019773500000000,  0.0000000000000000,  0.0005343600000000 ]  - [   0.0017427800000000,  0.0000000000000000,  0.0004917000000000 ]  - [  -0.0033287800000000,  0.0000000000000000, -0.0003488700000000 ]  - [  -0.0033449000000000,  0.0000000000000000,  0.0012459400000000 ]  - [  -0.0019407700000000, -0.0001708600000000,  0.0004151600000000 ]  - [  -0.0019403400000000,  0.0001942500000000,  0.0005549800000000 ]  - [  -0.0019407700000000,  0.0001708600000000,  0.0004151600000000 ]  - [  -0.0019403400000000, -0.0001942500000000,  0.0005549800000000 ]  - [  -0.0018537100000000,  0.0000000000000000,  0.0005239600000000 ]  - [  -0.0018534700000000,  0.0000000000000000,  0.0004705300000000 ]  - [  -0.0018398700000000, -0.0000106900000000,  0.0005109200000000 ]  - [  -0.0018397300000000,  0.0000151300000000,  0.0004840300000000 ]  - [  -0.0018398700000000,  0.0000106900000000,  0.0005109200000000 ]  - [  -0.0018397300000000, -0.0000151300000000,  0.0004840300000000 ]  - [   0.0017641800000000, -0.0000584100000000, -0.0003492500000000 ]  - [   0.0017527700000000,  0.0000763900000000, -0.0006009700000000 ]  - [   0.0017641800000000,  0.0000584100000000, -0.0003492500000000 ]  - [   0.0017527700000000, -0.0000763900000000, -0.0006009700000000 ]  - [   0.0018227200000000,  0.0000000000000000, -0.0004613600000000 ]  - [   0.0018129700000000,  0.0000000000000000, -0.0005314800000000 ]  - [   0.0017642600000000, -0.0001069500000000, -0.0006673200000000 ]  - [   0.0017525500000000,  0.0000999900000000, -0.0003186200000000 ]  - [   0.0017642600000000,  0.0001069500000000, -0.0006673200000000 ]  - [   0.0017525500000000, -0.0000999900000000, -0.0003186200000000 ]  - [   0.0018227900000000,  0.0000000000000000, -0.0005344900000000 ]  - [   0.0018129100000000,  0.0000000000000000, -0.0004263900000000 ]  - [   0.0015032600000000,  0.0000000000000000, -0.0001693500000000 ]  - [   0.0007766300000000,  0.0000000000000000, -0.0010914600000000 ]  - [   0.0011399800000000,  0.0000127500000000, -0.0009415200000000 ]  - [   0.0008854300000000, -0.0000072100000000, -0.0010257800000000 ]  - [   0.0011399800000000, -0.0000127500000000, -0.0009415200000000 ]  - [   0.0008854300000000,  0.0000072100000000, -0.0010257800000000 ]  - [   0.0010914800000000,  0.0000000000000000, -0.0011696000000000 ]  - [   0.0009011500000000,  0.0000000000000000, -0.0009303100000000 ]  - [   0.0010415700000000, -0.0000070000000000, -0.0010092500000000 ]  - [   0.0009267700000000, -0.0000048400000000, -0.0009658700000000 ]  - [   0.0010415700000000,  0.0000070000000000, -0.0010092500000000 ]  - [   0.0009267700000000,  0.0000048400000000, -0.0009658700000000 ]  - [  -0.0007038600000000,  0.0012569900000000, -0.0003259700000000 ]  - [  -0.0011667800000000, -0.0000673100000000,  0.0010285600000000 ]  - [  -0.0007038600000000, -0.0012569900000000, -0.0003259700000000 ]  - [  -0.0011667800000000,  0.0000673100000000,  0.0010285600000000 ]  - [  -0.0008677400000000,  0.0000000000000000,  0.0009494000000000 ]  - [  -0.0010567000000000,  0.0000000000000000,  0.0010003600000000 ]  - [  -0.0008984500000000,  0.0000009600000000,  0.0010288400000000 ]  - [  -0.0010277200000000, -0.0000038200000000,  0.0009675900000000 ]  - [  -0.0008984500000000, -0.0000009600000000,  0.0010288400000000 ]  - [  -0.0010277200000000,  0.0000038200000000,  0.0009675900000000 ]  - [  -0.0009319000000000,  0.0000000000000000,  0.0010033300000000 ]  - [  -0.0010075500000000,  0.0000000000000000,  0.0009793200000000 ]  - [   0.0010053400000000,  0.0000000000000000,  0.0009176400000000 ]  - [   0.0009449800000000,  0.0000000000000000,  0.0010633000000000 ]  - [   0.0009953300000000, -0.0000096100000000,  0.0009496400000000 ]  - [   0.0009541100000000,  0.0000240000000000,  0.0010194300000000 ]  - [   0.0009953300000000,  0.0000096100000000,  0.0009496400000000 ]  - [   0.0009541100000000, -0.0000240000000000,  0.0010194300000000 ]  - [  -0.0009323600000000,  0.0000000000000000,  0.0033017000000000 ]  - [   0.0005132900000000,  0.0000000000000000,  0.0007696100000000 ]  - [   0.0009388900000000, -0.0001929800000000,  0.0011707400000000 ]  - [   0.0008468800000000,  0.0001309400000000,  0.0008925800000000 ]  - [   0.0009388900000000,  0.0001929800000000,  0.0011707400000000 ]  - [   0.0008468800000000, -0.0001309400000000,  0.0008925800000000 ]  - [  -0.0025303500000000, -0.0022437400000000, -0.0018280000000000 ]  - [  -0.0013433400000000,  0.0001545500000000, -0.0009365700000000 ]  - [  -0.0025303500000000,  0.0022437400000000, -0.0018280000000000 ]  - [  -0.0013433400000000, -0.0001545500000000, -0.0009365700000000 ]  - [  -0.0009170300000000,  0.0000000000000000, -0.0009554700000000 ]  - [  -0.0010585300000000,  0.0000000000000000, -0.0009986000000000 ]  - [  -0.0009531800000000, -0.0000143800000000, -0.0009708900000000 ]  - [  -0.0010037200000000,  0.0000141000000000, -0.0009948900000000 ]  - [  -0.0009531800000000,  0.0000143800000000, -0.0009708900000000 ]  - [  -0.0010037200000000, -0.0000141000000000, -0.0009948900000000 ]  - [  -0.0009634900000000,  0.0000000000000000, -0.0009806200000000 ]  - [  -0.0009899300000000,  0.0000000000000000, -0.0009949400000000 ]  - [   0.0004714900000000,  0.0000000000000000, -0.0006874200000000 ]  - [   0.0007134800000000,  0.0000000000000000, -0.0004521900000000 ]  - [   0.0004987000000000, -0.0000243400000000, -0.0005834600000000 ]  - [   0.0006553400000000,  0.0000074100000000, -0.0004502600000000 ]  - [   0.0004987000000000,  0.0000243400000000, -0.0005834600000000 ]  - [   0.0006553400000000, -0.0000074100000000, -0.0004502600000000 ]  - [  -0.0022123500000000,  0.0000000000000000, -0.0023829300000000 ]  - [   0.0014029400000000,  0.0000000000000000, -0.0006362100000000 ]  - [   0.0001849300000000, -0.0003902000000000, -0.0002401600000000 ]  - [   0.0008120800000000,  0.0000977300000000, -0.0005773100000000 ]  - [   0.0001849300000000,  0.0003902000000000, -0.0002401600000000 ]  - [   0.0008120800000000, -0.0000977300000000, -0.0005773100000000 ]  - [  -0.0028296000000000,  0.0008567900000000,  0.0006563200000000 ]  - [   0.0001654000000000,  0.0001513000000000,  0.0005208400000000 ]  - [  -0.0028296000000000, -0.0008567900000000,  0.0006563200000000 ]  - [   0.0001654000000000, -0.0001513000000000,  0.0005208400000000 ]  - [  -0.0007322500000000,  0.0000000000000000,  0.0005162100000000 ]  - [  -0.0004190900000000,  0.0000000000000000,  0.0005146700000000 ]  - [  -0.0006419800000000, -0.0000325600000000,  0.0005144100000000 ]  - [  -0.0005010100000000,  0.0000224800000000,  0.0004733700000000 ]  - [  -0.0006419800000000,  0.0000325600000000,  0.0005144100000000 ]  - [  -0.0005010100000000, -0.0000224800000000,  0.0004733700000000 ]  - [  -0.0006217200000000,  0.0000000000000000,  0.0005058300000000 ]  - [  -0.0005203700000000,  0.0000000000000000,  0.0004941400000000 ]  - [   0.0004655600000000,  0.0000000000000000,  0.0014529300000000 ]  - [   0.0010020000000000,  0.0000000000000000,  0.0001145400000000 ]  - [   0.0004863200000000,  0.0002689800000000,  0.0007413400000000 ]  - [   0.0007386700000000, -0.0000756000000000,  0.0004294800000000 ]  - [   0.0004863200000000, -0.0002689800000000,  0.0007413400000000 ]  - [   0.0007386700000000,  0.0000756000000000,  0.0004294800000000 ]  - [   0.0002317000000000,  0.0000000000000000, -0.0000991100000000 ]  - [   0.0007854300000000,  0.0000000000000000,  0.0006731300000000 ]  - [   0.0004507200000000,  0.0000501600000000,  0.0003757100000000 ]  - [   0.0007045500000000, -0.0000444300000000,  0.0005553000000000 ]  - [   0.0004507200000000, -0.0000501600000000,  0.0003757100000000 ]  - [   0.0007045500000000,  0.0000444300000000,  0.0005553000000000 ]  - [  -0.0011645500000000,  0.0009102500000000, -0.0014672000000000 ]  - [  -0.0000906200000000, -0.0002225000000000, -0.0003308300000000 ]  - [  -0.0011645500000000, -0.0009102500000000, -0.0014672000000000 ]  - [  -0.0000906200000000,  0.0002225000000000, -0.0003308300000000 ]  - [  -0.0007504600000000,  0.0000000000000000, -0.0004212300000000 ]  - [  -0.0003596100000000,  0.0000000000000000, -0.0004788600000000 ]  - [  -0.0006529100000000,  0.0000751900000000, -0.0004128300000000 ]  - [  -0.0004683000000000, -0.0000212100000000, -0.0005566400000000 ]  - [  -0.0006529100000000, -0.0000751900000000, -0.0004128300000000 ]  - [  -0.0004683000000000,  0.0000212100000000, -0.0005566400000000 ]  - [  -0.0006250300000000,  0.0000000000000000, -0.0004719700000000 ]  - [  -0.0005090100000000,  0.0000000000000000, -0.0005247600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0023489800000000, -0.0131275200000000, -0.0005590700000000 ]  - [  -0.0018323100000000, -0.0002075000000000, -0.0004949300000000 ]  - [  -0.0018766900000000,  0.0011731500000000, -0.0005078600000000 ]  - [  -0.0018271800000000,  0.0001152000000000, -0.0004732200000000 ]  - [  -0.0017898800000000,  0.0011621600000000, -0.0004824900000000 ]  - [  -0.0018379500000000,  0.0001152600000000, -0.0005163400000000 ]  - [  -0.0018325900000000, -0.0000374200000000, -0.0004944100000000 ]  - [  -0.0018327900000000, -0.0000204400000000, -0.0004949000000000 ]  - [  -0.0018319400000000,  0.0000319300000000, -0.0004939300000000 ]  - [  -0.0018323500000000,  0.0000232500000000, -0.0004936000000000 ]  - [  -0.0018336100000000,  0.0000324100000000, -0.0004956400000000 ]  - [  -0.0018330900000000,  0.0000232900000000, -0.0004961000000000 ]  - [   0.0018189300000000, -0.0000579000000000,  0.0003695400000000 ]  - [   0.0018602700000000, -0.0000180100000000,  0.0004750900000000 ]  - [   0.0018588500000000, -0.0000576900000000,  0.0006225900000000 ]  - [   0.0018177300000000, -0.0000183100000000,  0.0005164800000000 ]  - [   0.0018387500000000,  0.0001468200000000,  0.0004957100000000 ]  - [   0.0018389400000000,  0.0000624300000000,  0.0004958600000000 ]  - [   0.0017913400000000,  0.0005681400000000,  0.0020700900000000 ]  - [   0.0018283000000000, -0.0000394400000000,  0.0005727900000000 ]  - [   0.0018837200000000,  0.0005628600000000, -0.0010849800000000 ]  - [   0.0018501900000000, -0.0000400400000000,  0.0004183800000000 ]  - [   0.0018389300000000,  0.0002712700000000,  0.0004954300000000 ]  - [   0.0018391200000000,  0.0001010000000000,  0.0004956500000000 ]  - [  -0.0018331000000000, -0.0007357100000000,  0.0004951700000000 ]  - [  -0.0018283600000000, -0.0007356600000000,  0.0004930800000000 ]  - [  -0.0016389100000000,  0.0002860400000000,  0.0005732000000000 ]  - [  -0.0020038900000000,  0.0002853600000000,  0.0005277000000000 ]  - [  -0.0020261600000000,  0.0002853600000000,  0.0004181400000000 ]  - [  -0.0016628800000000,  0.0002859000000000,  0.0004644000000000 ]  - [  -0.0018333500000000, -0.0000297800000000,  0.0004958700000000 ]  - [  -0.0018330000000000, -0.0000298200000000,  0.0004962900000000 ]  - [  -0.0018179500000000,  0.0000275400000000,  0.0004792200000000 ]  - [  -0.0018439400000000,  0.0000273100000000,  0.0004893800000000 ]  - [  -0.0018482500000000,  0.0000273800000000,  0.0005122700000000 ]  - [  -0.0018221400000000,  0.0000275100000000,  0.0005026700000000 ]  - [   0.0019467900000000, -0.0000590700000000, -0.0006339200000000 ]  - [   0.0017395400000000, -0.0000542300000000, -0.0005946800000000 ]  - [   0.0017321500000000, -0.0000587700000000, -0.0003562900000000 ]  - [   0.0019404000000000, -0.0000538800000000, -0.0003944800000000 ]  - [   0.0018391500000000,  0.0001396100000000, -0.0004948300000000 ]  - [   0.0018395100000000,  0.0001384900000000, -0.0004948500000000 ]  - [   0.0018977300000000, -0.0000576900000000, -0.0004014300000000 ]  - [   0.0017626600000000, -0.0000539500000000, -0.0003862000000000 ]  - [   0.0017816400000000, -0.0000600400000000, -0.0005879200000000 ]  - [   0.0019162200000000, -0.0000543900000000, -0.0006035900000000 ]  - [   0.0018392900000000,  0.0001395600000000, -0.0004952800000000 ]  - [   0.0018396600000000,  0.0001387200000000, -0.0004950400000000 ]  - [   0.0009770800000000, -0.0007517100000000, -0.0009923900000000 ]  - [   0.0009776400000000, -0.0000602900000000, -0.0009875900000000 ]  - [   0.0009678800000000,  0.0002510600000000, -0.0007951100000000 ]  - [   0.0009936800000000,  0.0000449500000000, -0.0009608500000000 ]  - [   0.0009866100000000,  0.0002508500000000, -0.0011796600000000 ]  - [   0.0009619100000000,  0.0000449300000000, -0.0010145500000000 ]  - [   0.0009772400000000, -0.0001329300000000, -0.0009867700000000 ]  - [   0.0009780900000000, -0.0000308800000000, -0.0009875600000000 ]  - [   0.0009345400000000,  0.0000875100000000, -0.0011201300000000 ]  - [   0.0009837100000000,  0.0000291500000000, -0.0010190600000000 ]  - [   0.0010198000000000,  0.0000874300000000, -0.0008565500000000 ]  - [   0.0009720600000000,  0.0000288000000000, -0.0009565600000000 ]  - [  -0.0022597900000000,  0.0014143600000000, -0.0015415500000000 ]  - [  -0.0008935700000000, -0.0000352300000000,  0.0009386500000000 ]  - [   0.0003304500000000,  0.0014287400000000,  0.0035461400000000 ]  - [  -0.0010488800000000, -0.0000350400000000,  0.0010387400000000 ]  - [  -0.0009712600000000,  0.0002680100000000,  0.0009891200000000 ]  - [  -0.0009712600000000,  0.0000992200000000,  0.0009888100000000 ]  - [  -0.0009905600000000, -0.0000275100000000,  0.0010699500000000 ]  - [  -0.0009731400000000, -0.0000048300000000,  0.0009985500000000 ]  - [  -0.0009526300000000, -0.0000283800000000,  0.0009068400000000 ]  - [  -0.0009687800000000, -0.0000050900000000,  0.0009797900000000 ]  - [  -0.0009718200000000,  0.0000770900000000,  0.0009886400000000 ]  - [  -0.0009713800000000,  0.0000362000000000,  0.0009889600000000 ]  - [   0.0009797100000000, -0.0000286300000000,  0.0009899100000000 ]  - [   0.0009795300000000, -0.0000732900000000,  0.0009892000000000 ]  - [   0.0009877600000000,  0.0000265200000000,  0.0010423100000000 ]  - [   0.0009573700000000,  0.0000490900000000,  0.0010351000000000 ]  - [   0.0009715700000000,  0.0000270500000000,  0.0009362300000000 ]  - [   0.0010018200000000,  0.0000492200000000,  0.0009428600000000 ]  - [   0.0009746800000000, -0.0010844500000000,  0.0009912800000000 ]  - [   0.0009810700000000, -0.0002056900000000,  0.0009885200000000 ]  - [   0.0011371500000000,  0.0003194200000000,  0.0007914800000000 ]  - [   0.0008731800000000,  0.0001435500000000,  0.0009130300000000 ]  - [   0.0008232300000000,  0.0003178700000000,  0.0011857900000000 ]  - [   0.0010859800000000,  0.0001437900000000,  0.0010647700000000 ]  - [   0.0014824700000000,  0.0012923300000000, -0.0000487900000000 ]  - [  -0.0011880500000000, -0.0000502100000000, -0.0009013000000000 ]  - [  -0.0034538400000000,  0.0012940100000000, -0.0019368200000000 ]  - [  -0.0007567000000000, -0.0000496600000000, -0.0010752200000000 ]  - [  -0.0009738000000000,  0.0002552100000000, -0.0009884500000000 ]  - [  -0.0009732000000000,  0.0001545600000000, -0.0009881100000000 ]  - [  -0.0009760500000000, -0.0000108800000000, -0.0010211700000000 ]  - [  -0.0009827900000000, -0.0000082800000000, -0.0009902000000000 ]  - [  -0.0009709100000000, -0.0000107000000000, -0.0009545300000000 ]  - [  -0.0009640800000000, -0.0000085100000000, -0.0009867700000000 ]  - [  -0.0009733500000000,  0.0000502500000000, -0.0009878200000000 ]  - [  -0.0009731400000000,  0.0000425300000000, -0.0009881600000000 ]  - [   0.0005736400000000,  0.0001682900000000, -0.0004959000000000 ]  - [   0.0005733600000000,  0.0000790800000000, -0.0004961300000000 ]  - [   0.0005849300000000, -0.0000750800000000, -0.0006608600000000 ]  - [   0.0005507300000000, -0.0000267600000000, -0.0005233200000000 ]  - [   0.0005628000000000, -0.0000751100000000, -0.0003316900000000 ]  - [   0.0005960400000000, -0.0000267400000000, -0.0004691900000000 ]  - [   0.0005734100000000,  0.0018734800000000, -0.0004993300000000 ]  - [   0.0005736100000000,  0.0003401000000000, -0.0004962700000000 ]  - [   0.0007511000000000, -0.0006200700000000, -0.0001142500000000 ]  - [   0.0004313300000000, -0.0001603100000000, -0.0003960100000000 ]  - [   0.0003986800000000, -0.0006204000000000, -0.0008757400000000 ]  - [   0.0007151900000000, -0.0001601600000000, -0.0005961000000000 ]  - [  -0.0011483800000000,  0.0022292200000000,  0.0005097600000000 ]  - [  -0.0011284300000000,  0.0001539400000000,  0.0005097700000000 ]  - [   0.0000954800000000,  0.0023105300000000,  0.0004665700000000 ]  - [  -0.0000059300000000,  0.0001557400000000,  0.0004848800000000 ]  - [  -0.0005685400000000, -0.0006869100000000,  0.0004975200000000 ]  - [  -0.0005672500000000, -0.0002538200000000,  0.0004970600000000 ]  - [  -0.0005467700000000,  0.0000546000000000,  0.0005105900000000 ]  - [  -0.0005848900000000,  0.0000427700000000,  0.0005191600000000 ]  - [  -0.0005877300000000,  0.0000548000000000,  0.0004825800000000 ]  - [  -0.0005501100000000,  0.0000428700000000,  0.0004746600000000 ]  - [  -0.0005672600000000, -0.0000819000000000,  0.0004971500000000 ]  - [  -0.0005673900000000, -0.0000590100000000,  0.0004969900000000 ]  - [   0.0005735700000000,  0.0008432100000000,  0.0004963400000000 ]  - [   0.0005728700000000,  0.0002762600000000,  0.0004982900000000 ]  - [   0.0003683200000000, -0.0005214200000000,  0.0001234800000000 ]  - [   0.0006909400000000, -0.0001278200000000,  0.0004127000000000 ]  - [   0.0007783900000000, -0.0005200700000000,  0.0008696300000000 ]  - [   0.0004559400000000, -0.0001281400000000,  0.0005813100000000 ]  - [   0.0005744600000000,  0.0003177700000000,  0.0004970400000000 ]  - [   0.0005724900000000,  0.0000957400000000,  0.0004961100000000 ]  - [   0.0004853100000000, -0.0001708100000000,  0.0007392000000000 ]  - [   0.0005817900000000, -0.0000317700000000,  0.0005728500000000 ]  - [   0.0006615100000000, -0.0001708600000000,  0.0002557300000000 ]  - [   0.0005646600000000, -0.0000328000000000,  0.0004212300000000 ]  - [  -0.0016750700000000, -0.0001557600000000,  0.0009108500000000 ]  - [  -0.0004623500000000,  0.0001448700000000, -0.0003339200000000 ]  - [   0.0005350800000000, -0.0001309300000000, -0.0018913500000000 ]  - [  -0.0006737800000000,  0.0001449100000000, -0.0006582600000000 ]  - [  -0.0005664700000000, -0.0005528800000000, -0.0004969600000000 ]  - [  -0.0005675900000000, -0.0002472100000000, -0.0004961600000000 ]  - [  -0.0005966300000000,  0.0000725200000000, -0.0005455600000000 ]  - [  -0.0005438100000000,  0.0000435000000000, -0.0005307900000000 ]  - [  -0.0005377500000000,  0.0000741000000000, -0.0004478900000000 ]  - [  -0.0005909000000000,  0.0000436600000000, -0.0004618600000000 ]  - [  -0.0005670700000000, -0.0001260200000000, -0.0004958300000000 ]  - [  -0.0005673100000000, -0.0000614100000000, -0.0004961200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0043160300000000,  0.0000000000000000, -0.0153649800000000 ]  - [  -0.0018218800000000,  0.0000000000000000, -0.0006672500000000 ]  - [  -0.0018084300000000,  0.0000114700000000, -0.0008128600000000 ]  - [  -0.0018432000000000, -0.0000214900000000, -0.0005681100000000 ]  - [  -0.0018084300000000, -0.0000114700000000, -0.0008128600000000 ]  - [  -0.0018432000000000,  0.0000214900000000, -0.0005681100000000 ]  - [  -0.0018286200000000,  0.0000000000000000, -0.0002995900000000 ]  - [  -0.0018465600000000,  0.0000000000000000, -0.0004011000000000 ]  - [  -0.0018424600000000, -0.0000007600000000, -0.0003749400000000 ]  - [  -0.0018416400000000, -0.0000013000000000, -0.0004225800000000 ]  - [  -0.0018424600000000,  0.0000007600000000, -0.0003749400000000 ]  - [  -0.0018416400000000,  0.0000013000000000, -0.0004225800000000 ]  - [   0.0018371700000000, -0.0001271800000000,  0.0006977900000000 ]  - [   0.0018217700000000, -0.0000206700000000,  0.0005356700000000 ]  - [   0.0018371700000000,  0.0001271800000000,  0.0006977900000000 ]  - [   0.0018217700000000,  0.0000206700000000,  0.0005356700000000 ]  - [   0.0018224000000000,  0.0000000000000000,  0.0005911300000000 ]  - [   0.0018323600000000,  0.0000000000000000,  0.0005286500000000 ]  - [   0.0014799100000000,  0.0015735300000000,  0.0016963300000000 ]  - [   0.0018494800000000,  0.0000771900000000,  0.0005066300000000 ]  - [   0.0014799100000000, -0.0015735300000000,  0.0016963300000000 ]  - [   0.0018494800000000, -0.0000771900000000,  0.0005066300000000 ]  - [   0.0017940800000000,  0.0000000000000000,  0.0004691300000000 ]  - [   0.0018359500000000,  0.0000000000000000,  0.0004813800000000 ]  - [  -0.0010987700000000,  0.0000000000000000,  0.0002689600000000 ]  - [  -0.0026924000000000,  0.0000000000000000,  0.0002711000000000 ]  - [  -0.0017832200000000,  0.0000313400000000,  0.0003543700000000 ]  - [  -0.0019217700000000,  0.0000776100000000,  0.0003550400000000 ]  - [  -0.0017832200000000, -0.0000313400000000,  0.0003543700000000 ]  - [  -0.0019217700000000, -0.0000776100000000,  0.0003550400000000 ]  - [  -0.0018674400000000,  0.0000000000000000,  0.0006419500000000 ]  - [  -0.0018139300000000,  0.0000000000000000,  0.0006423700000000 ]  - [  -0.0018538100000000, -0.0000066600000000,  0.0005906100000000 ]  - [  -0.0018270000000000, -0.0000164400000000,  0.0005907600000000 ]  - [  -0.0018538100000000,  0.0000066600000000,  0.0005906100000000 ]  - [  -0.0018270000000000,  0.0000164400000000,  0.0005907600000000 ]  - [   0.0016579400000000, -0.0000939100000000, -0.0003385800000000 ]  - [   0.0020071600000000, -0.0001093400000000, -0.0004297900000000 ]  - [   0.0016579400000000,  0.0000939100000000, -0.0003385800000000 ]  - [   0.0020071600000000,  0.0001093400000000, -0.0004297900000000 ]  - [   0.0017912500000000,  0.0000000000000000, -0.0004618600000000 ]  - [   0.0018988200000000,  0.0000000000000000, -0.0004892000000000 ]  - [   0.0019761100000000,  0.0001399800000000, -0.0003388100000000 ]  - [   0.0017245600000000,  0.0001001200000000, -0.0004291000000000 ]  - [   0.0019761100000000, -0.0001399800000000, -0.0003388100000000 ]  - [   0.0017245600000000, -0.0001001200000000, -0.0004291000000000 ]  - [   0.0018640600000000,  0.0000000000000000, -0.0004619700000000 ]  - [   0.0017943300000000,  0.0000000000000000, -0.0004886900000000 ]  - [   0.0004458200000000,  0.0000000000000000,  0.0014250000000000 ]  - [   0.0010354600000000,  0.0000000000000000, -0.0010059100000000 ]  - [   0.0009476300000000,  0.0001537200000000, -0.0008907000000000 ]  - [   0.0009899000000000,  0.0000118000000000, -0.0010089300000000 ]  - [   0.0009476300000000, -0.0001537200000000, -0.0008907000000000 ]  - [   0.0009899000000000, -0.0000118000000000, -0.0010089300000000 ]  - [   0.0010534200000000,  0.0000000000000000, -0.0004445600000000 ]  - [   0.0009545700000000,  0.0000000000000000, -0.0009010500000000 ]  - [   0.0010066900000000, -0.0000930800000000, -0.0008582800000000 ]  - [   0.0009617800000000, -0.0000158100000000, -0.0009514400000000 ]  - [   0.0010066900000000,  0.0000930800000000, -0.0008582800000000 ]  - [   0.0009617800000000,  0.0000158100000000, -0.0009514400000000 ]  - [   0.0002605400000000, -0.0023550900000000,  0.0023934000000000 ]  - [  -0.0010765600000000, -0.0000226100000000,  0.0009055400000000 ]  - [   0.0002605400000000,  0.0023550900000000,  0.0023934000000000 ]  - [  -0.0010765600000000,  0.0000226100000000,  0.0009055400000000 ]  - [  -0.0009686100000000,  0.0000000000000000,  0.0008498800000000 ]  - [  -0.0010198300000000,  0.0000000000000000,  0.0009454500000000 ]  - [  -0.0009958800000000,  0.0000502300000000,  0.0012001300000000 ]  - [  -0.0009524600000000,  0.0000148700000000,  0.0010776000000000 ]  - [  -0.0009958800000000, -0.0000502300000000,  0.0012001300000000 ]  - [  -0.0009524600000000, -0.0000148700000000,  0.0010776000000000 ]  - [  -0.0009729400000000,  0.0000000000000000,  0.0010849300000000 ]  - [  -0.0009637100000000,  0.0000000000000000,  0.0010517500000000 ]  - [   0.0009881900000000,  0.0000000000000000,  0.0011756600000000 ]  - [   0.0009101800000000,  0.0000000000000000,  0.0010941500000000 ]  - [   0.0009872900000000,  0.0000153900000000,  0.0010992400000000 ]  - [   0.0009471000000000,  0.0000213900000000,  0.0010598600000000 ]  - [   0.0009872900000000, -0.0000153900000000,  0.0010992400000000 ]  - [   0.0009471000000000, -0.0000213900000000,  0.0010598600000000 ]  - [  -0.0011134400000000,  0.0000000000000000,  0.0017828600000000 ]  - [   0.0012135400000000,  0.0000000000000000,  0.0009127400000000 ]  - [   0.0008873100000000, -0.0001220500000000,  0.0009630900000000 ]  - [   0.0010319300000000, -0.0000540100000000,  0.0009529600000000 ]  - [   0.0008873100000000,  0.0001220500000000,  0.0009630900000000 ]  - [   0.0010319300000000,  0.0000540100000000,  0.0009529600000000 ]  - [  -0.0001649600000000,  0.0007476600000000, -0.0019061100000000 ]  - [  -0.0010431900000000,  0.0000571000000000, -0.0011120400000000 ]  - [  -0.0001649600000000, -0.0007476600000000, -0.0019061100000000 ]  - [  -0.0010431900000000, -0.0000571000000000, -0.0011120400000000 ]  - [  -0.0009519600000000,  0.0000000000000000, -0.0011407000000000 ]  - [  -0.0009819700000000,  0.0000000000000000, -0.0010514200000000 ]  - [  -0.0010083000000000, -0.0000312400000000, -0.0008325000000000 ]  - [  -0.0009675200000000, -0.0000119800000000, -0.0008835900000000 ]  - [  -0.0010083000000000,  0.0000312400000000, -0.0008325000000000 ]  - [  -0.0009675200000000,  0.0000119800000000, -0.0008835900000000 ]  - [  -0.0009996700000000,  0.0000000000000000, -0.0008903500000000 ]  - [  -0.0009784600000000,  0.0000000000000000, -0.0009104900000000 ]  - [   0.0007547800000000,  0.0000000000000000, -0.0012760300000000 ]  - [   0.0004567500000000,  0.0000000000000000, -0.0006323200000000 ]  - [   0.0006236200000000, -0.0000652600000000, -0.0006883200000000 ]  - [   0.0005179600000000, -0.0000238300000000, -0.0005969600000000 ]  - [   0.0006236200000000,  0.0000652600000000, -0.0006883200000000 ]  - [   0.0005179600000000,  0.0000238300000000, -0.0005969600000000 ]  - [   0.0028637900000000,  0.0000000000000000,  0.0046664000000000 ]  - [   0.0010541500000000,  0.0000000000000000, -0.0004355000000000 ]  - [   0.0004170800000000,  0.0003795400000000, -0.0003857000000000 ]  - [   0.0005977400000000,  0.0000575200000000, -0.0004268500000000 ]  - [   0.0004170800000000, -0.0003795400000000, -0.0003857000000000 ]  - [   0.0005977400000000, -0.0000575200000000, -0.0004268500000000 ]  - [  -0.0009432700000000,  0.0003150100000000,  0.0022844500000000 ]  - [  -0.0007459200000000, -0.0000798900000000,  0.0008588500000000 ]  - [  -0.0009432700000000, -0.0003150100000000,  0.0022844500000000 ]  - [  -0.0007459200000000,  0.0000798900000000,  0.0008588500000000 ]  - [  -0.0006074400000000,  0.0000000000000000,  0.0007095000000000 ]  - [  -0.0005741700000000,  0.0000000000000000,  0.0007055600000000 ]  - [  -0.0005822400000000,  0.0000512200000000,  0.0001961000000000 ]  - [  -0.0005440000000000,  0.0000183800000000,  0.0003308500000000 ]  - [  -0.0005822400000000, -0.0000512200000000,  0.0001961000000000 ]  - [  -0.0005440000000000, -0.0000183800000000,  0.0003308500000000 ]  - [  -0.0005712700000000,  0.0000000000000000,  0.0003118800000000 ]  - [  -0.0005602700000000,  0.0000000000000000,  0.0003718700000000 ]  - [  -0.0003477400000000,  0.0000000000000000, -0.0006398000000000 ]  - [   0.0007656100000000,  0.0000000000000000,  0.0004494400000000 ]  - [   0.0003509400000000, -0.0004390800000000,  0.0002803600000000 ]  - [   0.0006590300000000, -0.0000639100000000,  0.0004993300000000 ]  - [   0.0003509400000000,  0.0004390800000000,  0.0002803600000000 ]  - [   0.0006590300000000,  0.0000639100000000,  0.0004993300000000 ]  - [   0.0008543200000000,  0.0000000000000000, -0.0001499500000000 ]  - [   0.0004543100000000,  0.0000000000000000,  0.0002917000000000 ]  - [   0.0007041300000000,  0.0001866500000000,  0.0003305400000000 ]  - [   0.0004926900000000,  0.0000734000000000,  0.0004386300000000 ]  - [   0.0007041300000000, -0.0001866500000000,  0.0003305400000000 ]  - [   0.0004926900000000, -0.0000734000000000,  0.0004386300000000 ]  - [   0.0002385900000000,  0.0009783100000000, -0.0000344500000000 ]  - [  -0.0006708800000000,  0.0000981700000000, -0.0002848400000000 ]  - [   0.0002385900000000, -0.0009783100000000, -0.0000344500000000 ]  - [  -0.0006708800000000, -0.0000981700000000, -0.0002848400000000 ]  - [  -0.0005435000000000,  0.0000000000000000, -0.0002627500000000 ]  - [  -0.0005727600000000,  0.0000000000000000, -0.0003562200000000 ]  - [  -0.0006364200000000, -0.0001117600000000, -0.0008302700000000 ]  - [  -0.0005476200000000, -0.0000346800000000, -0.0006531500000000 ]  - [  -0.0006364200000000,  0.0001117600000000, -0.0008302700000000 ]  - [  -0.0005476200000000,  0.0000346800000000, -0.0006531500000000 ]  - [  -0.0006077200000000,  0.0000000000000000, -0.0006684000000000 ]  - [  -0.0005676400000000,  0.0000000000000000, -0.0006017700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0023393800000000,  0.0000000000000000,  0.0139379500000000 ]  - [  -0.0018623900000000,  0.0000000000000000, -0.0003191500000000 ]  - [  -0.0018716300000000, -0.0000137200000000, -0.0001739500000000 ]  - [  -0.0018408000000000,  0.0000214200000000, -0.0004181300000000 ]  - [  -0.0018716300000000,  0.0000137200000000, -0.0001739500000000 ]  - [  -0.0018408000000000, -0.0000214200000000, -0.0004181300000000 ]  - [  -0.0018542000000000,  0.0000000000000000, -0.0006856200000000 ]  - [  -0.0018366900000000,  0.0000000000000000, -0.0005845300000000 ]  - [  -0.0018405400000000,  0.0000008400000000, -0.0006106700000000 ]  - [  -0.0018415800000000,  0.0000013800000000, -0.0005631300000000 ]  - [  -0.0018405400000000, -0.0000008400000000, -0.0006106700000000 ]  - [  -0.0018415800000000, -0.0000013800000000, -0.0005631300000000 ]  - [   0.0018245000000000,  0.0001257400000000,  0.0002973800000000 ]  - [   0.0018389700000000,  0.0000204600000000,  0.0004583500000000 ]  - [   0.0018245000000000, -0.0001257400000000,  0.0002973800000000 ]  - [   0.0018389700000000, -0.0000204600000000,  0.0004583500000000 ]  - [   0.0018389500000000,  0.0000000000000000,  0.0004029500000000 ]  - [   0.0018284900000000,  0.0000000000000000,  0.0004653300000000 ]  - [   0.0021859300000000, -0.0015841800000000, -0.0007035000000000 ]  - [   0.0018110800000000, -0.0000771500000000,  0.0004875500000000 ]  - [   0.0021859300000000,  0.0015841800000000, -0.0007035000000000 ]  - [   0.0018110800000000,  0.0000771500000000,  0.0004875500000000 ]  - [   0.0018682100000000,  0.0000000000000000,  0.0005256700000000 ]  - [   0.0018247000000000,  0.0000000000000000,  0.0005127400000000 ]  - [  -0.0025881400000000,  0.0000000000000000,  0.0007183300000000 ]  - [  -0.0009998600000000,  0.0000000000000000,  0.0007229800000000 ]  - [  -0.0019011700000000, -0.0000321400000000,  0.0006378800000000 ]  - [  -0.0017627600000000, -0.0000767600000000,  0.0006391500000000 ]  - [  -0.0019011700000000,  0.0000321400000000,  0.0006378800000000 ]  - [  -0.0017627600000000,  0.0000767600000000,  0.0006391500000000 ]  - [  -0.0018163500000000,  0.0000000000000000,  0.0003527400000000 ]  - [  -0.0018701400000000,  0.0000000000000000,  0.0003528900000000 ]  - [  -0.0018299900000000,  0.0000068000000000,  0.0004039300000000 ]  - [  -0.0018569900000000,  0.0000164900000000,  0.0004039800000000 ]  - [  -0.0018299900000000, -0.0000068000000000,  0.0004039300000000 ]  - [  -0.0018569900000000, -0.0000164900000000,  0.0004039800000000 ]  - [   0.0020024700000000,  0.0000925900000000, -0.0006466400000000 ]  - [   0.0016558300000000,  0.0001083600000000, -0.0005567200000000 ]  - [   0.0020024700000000, -0.0000925900000000, -0.0006466400000000 ]  - [   0.0016558300000000, -0.0001083600000000, -0.0005567200000000 ]  - [   0.0018703700000000,  0.0000000000000000, -0.0005242300000000 ]  - [   0.0017633500000000,  0.0000000000000000, -0.0004974100000000 ]  - [   0.0016856300000000, -0.0001384700000000, -0.0006474600000000 ]  - [   0.0019373600000000, -0.0001002800000000, -0.0005556200000000 ]  - [   0.0016856300000000,  0.0001384700000000, -0.0006474600000000 ]  - [   0.0019373600000000,  0.0001002800000000, -0.0005556200000000 ]  - [   0.0017976600000000,  0.0000000000000000, -0.0005243600000000 ]  - [   0.0018675200000000,  0.0000000000000000, -0.0004964700000000 ]  - [   0.0014833500000000,  0.0000000000000000, -0.0033616900000000 ]  - [   0.0009026800000000,  0.0000000000000000, -0.0009673100000000 ]  - [   0.0009912200000000, -0.0001529500000000, -0.0010816500000000 ]  - [   0.0009483000000000, -0.0000116700000000, -0.0009641400000000 ]  - [   0.0009912200000000,  0.0001529500000000, -0.0010816500000000 ]  - [   0.0009483000000000,  0.0000116700000000, -0.0009641400000000 ]  - [   0.0008828700000000,  0.0000000000000000, -0.0015293600000000 ]  - [   0.0009841200000000,  0.0000000000000000, -0.0010709400000000 ]  - [   0.0009314400000000,  0.0000935000000000, -0.0011146700000000 ]  - [   0.0009767300000000,  0.0000159500000000, -0.0010206100000000 ]  - [   0.0009314400000000, -0.0000935000000000, -0.0011146700000000 ]  - [   0.0009767300000000, -0.0000159500000000, -0.0010206100000000 ]  - [  -0.0022051900000000,  0.0023290500000000, -0.0004071700000000 ]  - [  -0.0008849700000000,  0.0000222100000000,  0.0010748300000000 ]  - [  -0.0022051900000000, -0.0023290500000000, -0.0004071700000000 ]  - [  -0.0008849700000000, -0.0000222100000000,  0.0010748300000000 ]  - [  -0.0009913400000000,  0.0000000000000000,  0.0011296700000000 ]  - [  -0.0009411900000000,  0.0000000000000000,  0.0010349700000000 ]  - [  -0.0009645700000000, -0.0000502000000000,  0.0007803500000000 ]  - [  -0.0010079000000000, -0.0000147800000000,  0.0009036900000000 ]  - [  -0.0009645700000000,  0.0000502000000000,  0.0007803500000000 ]  - [  -0.0010079000000000,  0.0000147800000000,  0.0009036900000000 ]  - [  -0.0009876300000000,  0.0000000000000000,  0.0008960400000000 ]  - [  -0.0009969200000000,  0.0000000000000000,  0.0009293000000000 ]  - [   0.0009545300000000,  0.0000000000000000,  0.0008065500000000 ]  - [   0.0010316100000000,  0.0000000000000000,  0.0008876400000000 ]  - [   0.0009553600000000, -0.0000152900000000,  0.0008820400000000 ]  - [   0.0009950900000000, -0.0000212000000000,  0.0009215200000000 ]  - [   0.0009553600000000,  0.0000152900000000,  0.0008820400000000 ]  - [   0.0009950900000000,  0.0000212000000000,  0.0009215200000000 ]  - [   0.0030690000000000,  0.0000000000000000,  0.0002048900000000 ]  - [   0.0007287000000000,  0.0000000000000000,  0.0010660900000000 ]  - [   0.0010552100000000,  0.0001218500000000,  0.0010203600000000 ]  - [   0.0009101000000000,  0.0000541700000000,  0.0010278100000000 ]  - [   0.0010552100000000, -0.0001218500000000,  0.0010203600000000 ]  - [   0.0009101000000000, -0.0000541700000000,  0.0010278100000000 ]  - [  -0.0017981400000000, -0.0007480800000000, -0.0000669400000000 ]  - [  -0.0009237800000000, -0.0000573700000000, -0.0008606500000000 ]  - [  -0.0017981400000000,  0.0007480800000000, -0.0000669400000000 ]  - [  -0.0009237800000000,  0.0000573700000000, -0.0008606500000000 ]  - [  -0.0010119500000000,  0.0000000000000000, -0.0008325900000000 ]  - [  -0.0009833900000000,  0.0000000000000000, -0.0009220000000000 ]  - [  -0.0009563500000000,  0.0000308300000000, -0.0011398700000000 ]  - [  -0.0009968400000000,  0.0000118100000000, -0.0010894700000000 ]  - [  -0.0009563500000000, -0.0000308300000000, -0.0011398700000000 ]  - [  -0.0009968400000000, -0.0000118100000000, -0.0010894700000000 ]  - [  -0.0009648100000000,  0.0000000000000000, -0.0010823700000000 ]  - [  -0.0009858700000000,  0.0000000000000000, -0.0010624900000000 ]  - [   0.0003758900000000,  0.0000000000000000,  0.0002781700000000 ]  - [   0.0006716100000000,  0.0000000000000000, -0.0003590500000000 ]  - [   0.0005054900000000,  0.0000646000000000, -0.0003033700000000 ]  - [   0.0006109400000000,  0.0000234800000000, -0.0003941000000000 ]  - [   0.0005054900000000, -0.0000646000000000, -0.0003033700000000 ]  - [   0.0006109400000000, -0.0000234800000000, -0.0003941000000000 ]  - [  -0.0018851100000000,  0.0000000000000000, -0.0058482900000000 ]  - [   0.0000756300000000,  0.0000000000000000, -0.0005567600000000 ]  - [   0.0007118300000000, -0.0003811400000000, -0.0006059300000000 ]  - [   0.0005330800000000, -0.0000569000000000, -0.0005650900000000 ]  - [   0.0007118300000000,  0.0003811400000000, -0.0006059300000000 ]  - [   0.0005330800000000,  0.0000569000000000, -0.0005650900000000 ]  - [  -0.0001998800000000, -0.0003348400000000, -0.0012875400000000 ]  - [  -0.0004031000000000,  0.0000799800000000,  0.0001418900000000 ]  - [  -0.0001998800000000,  0.0003348400000000, -0.0012875400000000 ]  - [  -0.0004031000000000, -0.0000799800000000,  0.0001418900000000 ]  - [  -0.0005447000000000,  0.0000000000000000,  0.0002909700000000 ]  - [  -0.0005759200000000,  0.0000000000000000,  0.0002943900000000 ]  - [  -0.0005691400000000, -0.0000505800000000,  0.0008023000000000 ]  - [  -0.0006064700000000, -0.0000181200000000,  0.0006676500000000 ]  - [  -0.0005691400000000,  0.0000505800000000,  0.0008023000000000 ]  - [  -0.0006064700000000,  0.0000181200000000,  0.0006676500000000 ]  - [  -0.0005799700000000,  0.0000000000000000,  0.0006870100000000 ]  - [  -0.0005903900000000,  0.0000000000000000,  0.0006269900000000 ]  - [   0.0014663800000000,  0.0000000000000000,  0.0016324300000000 ]  - [   0.0003654300000000,  0.0000000000000000,  0.0005492500000000 ]  - [   0.0007767700000000,  0.0004380700000000,  0.0007196600000000 ]  - [   0.0004708800000000,  0.0000634000000000,  0.0004999600000000 ]  - [   0.0007767700000000, -0.0004380700000000,  0.0007196600000000 ]  - [   0.0004708800000000, -0.0000634000000000,  0.0004999600000000 ]  - [   0.0002718600000000,  0.0000000000000000,  0.0011502500000000 ]  - [   0.0006735900000000,  0.0000000000000000,  0.0007066400000000 ]  - [   0.0004230100000000, -0.0001878800000000,  0.0006672800000000 ]  - [   0.0006363000000000, -0.0000729800000000,  0.0005602800000000 ]  - [   0.0004230100000000,  0.0001878800000000,  0.0006672800000000 ]  - [   0.0006363000000000,  0.0000729800000000,  0.0005602800000000 ]  - [  -0.0013943500000000, -0.0009780400000000, -0.0009486500000000 ]  - [  -0.0004784600000000, -0.0000982500000000, -0.0007038100000000 ]  - [  -0.0013943500000000,  0.0009780400000000, -0.0009486500000000 ]  - [  -0.0004784600000000,  0.0000982500000000, -0.0007038100000000 ]  - [  -0.0006084300000000,  0.0000000000000000, -0.0007268500000000 ]  - [  -0.0005767400000000,  0.0000000000000000, -0.0006337500000000 ]  - [  -0.0005141600000000,  0.0001117100000000, -0.0001617600000000 ]  - [  -0.0006033700000000,  0.0000347700000000, -0.0003388700000000 ]  - [  -0.0005141600000000, -0.0001117100000000, -0.0001617600000000 ]  - [  -0.0006033700000000, -0.0000347700000000, -0.0003388700000000 ]  - [  -0.0005432400000000,  0.0000000000000000, -0.0003230200000000 ]  - [  -0.0005832600000000,  0.0000000000000000, -0.0003900900000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0023553500000000,  0.0000000000000000, -0.0010169800000000 ]  - [  -0.0016273800000000,  0.0000000000000000, -0.0004319600000000 ]  - [  -0.0019913900000000,  0.0000095400000000, -0.0005197900000000 ]  - [  -0.0017360700000000, -0.0000156600000000, -0.0004773800000000 ]  - [  -0.0019913900000000, -0.0000095400000000, -0.0005197900000000 ]  - [  -0.0017360700000000,  0.0000156600000000, -0.0004773800000000 ]  - [  -0.0019432700000000,  0.0000000000000000, -0.0004125200000000 ]  - [  -0.0017515900000000,  0.0000000000000000, -0.0005128600000000 ]  - [  -0.0018924400000000,  0.0000425500000000, -0.0004602000000000 ]  - [  -0.0017773600000000, -0.0000056800000000, -0.0005055300000000 ]  - [  -0.0018924400000000, -0.0000425500000000, -0.0004602000000000 ]  - [  -0.0017773600000000,  0.0000056800000000, -0.0005055300000000 ]  - [   0.0015675100000000, -0.0012965200000000,  0.0017266700000000 ]  - [   0.0020384800000000,  0.0000773700000000,  0.0003961700000000 ]  - [   0.0015675100000000,  0.0012965200000000,  0.0017266700000000 ]  - [   0.0020384800000000, -0.0000773700000000,  0.0003961700000000 ]  - [   0.0017397600000000,  0.0000000000000000,  0.0005032200000000 ]  - [   0.0019289000000000,  0.0000000000000000,  0.0004524000000000 ]  - [   0.0017701800000000, -0.0000189200000000,  0.0004760600000000 ]  - [   0.0018999700000000, -0.0000020600000000,  0.0005192200000000 ]  - [   0.0017701800000000,  0.0000189200000000,  0.0004760600000000 ]  - [   0.0018999700000000,  0.0000020600000000,  0.0005192200000000 ]  - [   0.0018038600000000,  0.0000000000000000,  0.0004991800000000 ]  - [   0.0018796600000000,  0.0000000000000000,  0.0005082500000000 ]  - [  -0.0013612200000000,  0.0000000000000000,  0.0002509600000000 ]  - [   0.0000855700000000,  0.0000000000000000,  0.0025735000000000 ]  - [  -0.0016962200000000,  0.0001066500000000,  0.0004322800000000 ]  - [  -0.0017869400000000, -0.0001576100000000,  0.0005771800000000 ]  - [  -0.0016962200000000, -0.0001066500000000,  0.0004322800000000 ]  - [  -0.0017869400000000,  0.0001576100000000,  0.0005771800000000 ]  - [  -0.0017942800000000,  0.0000000000000000,  0.0005541200000000 ]  - [  -0.0018539300000000,  0.0000000000000000,  0.0004760300000000 ]  - [  -0.0018033400000000,  0.0000220600000000,  0.0005172900000000 ]  - [  -0.0018443300000000, -0.0000082600000000,  0.0004771700000000 ]  - [  -0.0018033400000000, -0.0000220600000000,  0.0005172900000000 ]  - [  -0.0018443300000000,  0.0000082600000000,  0.0004771700000000 ]  - [   0.0033876200000000,  0.0024562900000000, -0.0013067100000000 ]  - [   0.0022141000000000, -0.0002161500000000, -0.0004361700000000 ]  - [   0.0033876200000000, -0.0024562900000000, -0.0013067100000000 ]  - [   0.0022141000000000,  0.0002161500000000, -0.0004361700000000 ]  - [   0.0017876800000000,  0.0000000000000000, -0.0005269800000000 ]  - [   0.0019283900000000,  0.0000000000000000, -0.0004972600000000 ]  - [   0.0018237900000000, -0.0000027600000000, -0.0004708400000000 ]  - [   0.0018739700000000, -0.0000094600000000, -0.0005114900000000 ]  - [   0.0018237900000000,  0.0000027600000000, -0.0004708400000000 ]  - [   0.0018739700000000,  0.0000094600000000, -0.0005114900000000 ]  - [   0.0018340700000000,  0.0000000000000000, -0.0004793600000000 ]  - [   0.0018604600000000,  0.0000000000000000, -0.0005005200000000 ]  - [  -0.0187986900000000,  0.0000000000000000, -0.0008916200000000 ]  - [   0.0012372400000000,  0.0000000000000000, -0.0009459900000000 ]  - [   0.0006931700000000, -0.0000078400000000, -0.0010431700000000 ]  - [   0.0011255400000000,  0.0000097100000000, -0.0009999900000000 ]  - [   0.0006931700000000,  0.0000078400000000, -0.0010431700000000 ]  - [   0.0011255400000000, -0.0000097100000000, -0.0009999900000000 ]  - [   0.0009526200000000,  0.0000000000000000, -0.0010038600000000 ]  - [   0.0010166800000000,  0.0000000000000000, -0.0009790400000000 ]  - [   0.0009568100000000,  0.0000077600000000, -0.0009831600000000 ]  - [   0.0010088300000000, -0.0000012600000000, -0.0009824800000000 ]  - [   0.0009568100000000, -0.0000077600000000, -0.0009831600000000 ]  - [   0.0010088300000000,  0.0000012600000000, -0.0009824800000000 ]  - [  -0.0002335000000000, -0.0021226200000000, -0.0004339800000000 ]  - [  -0.0007262700000000,  0.0001580200000000,  0.0011245600000000 ]  - [  -0.0002335000000000,  0.0021226200000000, -0.0004339800000000 ]  - [  -0.0007262700000000, -0.0001580200000000,  0.0011245600000000 ]  - [  -0.0010588800000000,  0.0000000000000000,  0.0009247100000000 ]  - [  -0.0008966300000000,  0.0000000000000000,  0.0010273500000000 ]  - [  -0.0009929300000000,  0.0000019500000000,  0.0010110500000000 ]  - [  -0.0009490600000000,  0.0000000600000000,  0.0009799900000000 ]  - [  -0.0009929300000000, -0.0000019500000000,  0.0010110500000000 ]  - [  -0.0009490600000000, -0.0000000600000000,  0.0009799900000000 ]  - [  -0.0009814700000000,  0.0000000000000000,  0.0009980200000000 ]  - [  -0.0009513800000000,  0.0000000000000000,  0.0009819400000000 ]  - [   0.0012244000000000,  0.0000000000000000,  0.0014170100000000 ]  - [   0.0012232900000000,  0.0000000000000000,  0.0004667100000000 ]  - [   0.0010173400000000,  0.0000732600000000,  0.0010545500000000 ]  - [   0.0010175200000000, -0.0000941000000000,  0.0008551900000000 ]  - [   0.0010173400000000, -0.0000732600000000,  0.0010545500000000 ]  - [   0.0010175200000000,  0.0000941000000000,  0.0008551900000000 ]  - [   0.0010018200000000,  0.0000000000000000,  0.0008952800000000 ]  - [   0.0010021000000000,  0.0000000000000000,  0.0011367000000000 ]  - [   0.0009874500000000,  0.0000328800000000,  0.0009582100000000 ]  - [   0.0009877300000000, -0.0000231800000000,  0.0010307500000000 ]  - [   0.0009874500000000, -0.0000328800000000,  0.0009582100000000 ]  - [   0.0009877300000000,  0.0000231800000000,  0.0010307500000000 ]  - [  -0.0010317900000000,  0.0000743100000000, -0.0007738500000000 ]  - [  -0.0008684800000000, -0.0000398300000000, -0.0010423200000000 ]  - [  -0.0010317900000000, -0.0000743100000000, -0.0007738500000000 ]  - [  -0.0008684800000000,  0.0000398300000000, -0.0010423200000000 ]  - [  -0.0010003600000000,  0.0000000000000000, -0.0009684200000000 ]  - [  -0.0009291700000000,  0.0000000000000000, -0.0009999600000000 ]  - [  -0.0010318200000000,  0.0000422400000000, -0.0011227000000000 ]  - [  -0.0008685100000000, -0.0000405700000000, -0.0009556100000000 ]  - [  -0.0010318200000000, -0.0000422400000000, -0.0011227000000000 ]  - [  -0.0008685100000000,  0.0000405700000000, -0.0009556100000000 ]  - [  -0.0010004100000000,  0.0000000000000000, -0.0010051300000000 ]  - [  -0.0009291100000000,  0.0000000000000000, -0.0009755100000000 ]  - [   0.0028598300000000,  0.0000000000000000, -0.0032794100000000 ]  - [   0.0001521700000000,  0.0000000000000000, -0.0004662600000000 ]  - [   0.0009547100000000, -0.0000024900000000, -0.0003436900000000 ]  - [   0.0003734000000000, -0.0000329800000000, -0.0005297900000000 ]  - [   0.0009547100000000,  0.0000024900000000, -0.0003436900000000 ]  - [   0.0003734000000000,  0.0000329800000000, -0.0005297900000000 ]  - [   0.0008189900000000,  0.0000000000000000, -0.0004941800000000 ]  - [   0.0004340800000000,  0.0000000000000000, -0.0004821100000000 ]  - [   0.0006757000000000,  0.0000383700000000, -0.0005620500000000 ]  - [   0.0004869900000000, -0.0000175200000000, -0.0004977100000000 ]  - [   0.0006757000000000, -0.0000383700000000, -0.0005620500000000 ]  - [   0.0004869900000000,  0.0000175200000000, -0.0004977100000000 ]  - [  -0.0005693500000000,  0.0000989800000000,  0.0010328400000000 ]  - [  -0.0007392400000000, -0.0001727400000000,  0.0002484100000000 ]  - [  -0.0005693500000000, -0.0000989800000000,  0.0010328400000000 ]  - [  -0.0007392400000000,  0.0001727400000000,  0.0002484100000000 ]  - [  -0.0004876300000000,  0.0000000000000000,  0.0005384000000000 ]  - [  -0.0006009100000000,  0.0000000000000000,  0.0004200200000000 ]  - [  -0.0005871700000000,  0.0001196700000000,  0.0001731200000000 ]  - [  -0.0006284400000000, -0.0000579800000000,  0.0006383700000000 ]  - [  -0.0005871700000000, -0.0001196700000000,  0.0001731200000000 ]  - [  -0.0006284400000000,  0.0000579800000000,  0.0006383700000000 ]  - [  -0.0005223500000000,  0.0000000000000000,  0.0004415900000000 ]  - [  -0.0005963300000000,  0.0000000000000000,  0.0005603700000000 ]  - [   0.0081928200000000,  0.0000000000000000,  0.0013907600000000 ]  - [  -0.0012407100000000,  0.0000000000000000,  0.0006984500000000 ]  - [   0.0005704200000000, -0.0005097200000000,  0.0003241600000000 ]  - [   0.0002464200000000,  0.0003908700000000,  0.0004676700000000 ]  - [   0.0005704200000000,  0.0005097200000000,  0.0003241600000000 ]  - [   0.0002464200000000, -0.0003908700000000,  0.0004676700000000 ]  - [   0.0006100300000000,  0.0000000000000000,  0.0005172700000000 ]  - [   0.0005548700000000,  0.0000000000000000,  0.0004474300000000 ]  - [   0.0006006900000000, -0.0000208300000000,  0.0004967400000000 ]  - [   0.0005560400000000,  0.0000056500000000,  0.0004683000000000 ]  - [   0.0006006900000000,  0.0000208300000000,  0.0004967400000000 ]  - [   0.0005560400000000, -0.0000056500000000,  0.0004683000000000 ]  - [   0.0014682600000000,  0.0014218100000000,  0.0005554200000000 ]  - [  -0.0009971700000000,  0.0000512300000000, -0.0004758000000000 ]  - [   0.0014682600000000, -0.0014218100000000,  0.0005554200000000 ]  - [  -0.0009971700000000, -0.0000512300000000, -0.0004758000000000 ]  - [  -0.0004177300000000,  0.0000000000000000, -0.0005205800000000 ]  - [  -0.0007458500000000,  0.0000000000000000, -0.0004795800000000 ]  - [  -0.0004847500000000, -0.0000009700000000, -0.0004735100000000 ]  - [  -0.0006454400000000,  0.0000115000000000, -0.0005291100000000 ]  - [  -0.0004847500000000,  0.0000009700000000, -0.0004735100000000 ]  - [  -0.0006454400000000, -0.0000115000000000, -0.0005291100000000 ]  - [  -0.0005061500000000,  0.0000000000000000, -0.0005093000000000 ]  - [  -0.0006197500000000,  0.0000000000000000, -0.0005089700000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013033900000000,  0.0000000000000000, -0.0000019300000000 ]  - [  -0.0020253000000000,  0.0000000000000000, -0.0005833800000000 ]  - [  -0.0016633900000000, -0.0000091200000000, -0.0004957700000000 ]  - [  -0.0019165800000000,  0.0000160400000000, -0.0005377800000000 ]  - [  -0.0016633900000000,  0.0000091200000000, -0.0004957700000000 ]  - [  -0.0019165800000000, -0.0000160400000000, -0.0005377800000000 ]  - [  -0.0017125700000000,  0.0000000000000000, -0.0006030000000000 ]  - [  -0.0019007900000000,  0.0000000000000000, -0.0005025500000000 ]  - [  -0.0017614900000000, -0.0000431300000000, -0.0005549200000000 ]  - [  -0.0018753800000000,  0.0000055600000000, -0.0005096700000000 ]  - [  -0.0017614900000000,  0.0000431300000000, -0.0005549200000000 ]  - [  -0.0018753800000000, -0.0000055600000000, -0.0005096700000000 ]  - [   0.0021092100000000,  0.0012950800000000, -0.0007558700000000 ]  - [   0.0016526000000000, -0.0000775300000000,  0.0005712300000000 ]  - [   0.0021092100000000, -0.0012950800000000, -0.0007558700000000 ]  - [   0.0016526000000000,  0.0000775300000000,  0.0005712300000000 ]  - [   0.0019492700000000,  0.0000000000000000,  0.0004636500000000 ]  - [   0.0017618300000000,  0.0000000000000000,  0.0005144100000000 ]  - [   0.0019193100000000,  0.0000188900000000,  0.0004901100000000 ]  - [   0.0017905500000000,  0.0000020000000000,  0.0004470000000000 ]  - [   0.0019193100000000, -0.0000188900000000,  0.0004901100000000 ]  - [   0.0017905500000000, -0.0000020000000000,  0.0004470000000000 ]  - [   0.0018860500000000,  0.0000000000000000,  0.0004675200000000 ]  - [   0.0018109700000000,  0.0000000000000000,  0.0004582500000000 ]  - [  -0.0022869600000000,  0.0000000000000000,  0.0007131000000000 ]  - [  -0.0037475900000000,  0.0000000000000000, -0.0016240500000000 ]  - [  -0.0019568200000000, -0.0001055200000000,  0.0005339300000000 ]  - [  -0.0018658700000000,  0.0001566400000000,  0.0003902400000000 ]  - [  -0.0019568200000000,  0.0001055200000000,  0.0005339300000000 ]  - [  -0.0018658700000000, -0.0001566400000000,  0.0003902400000000 ]  - [  -0.0018604500000000,  0.0000000000000000,  0.0004130400000000 ]  - [  -0.0017987600000000,  0.0000000000000000,  0.0004894400000000 ]  - [  -0.0018506500000000, -0.0000219200000000,  0.0004495800000000 ]  - [  -0.0018090700000000,  0.0000078300000000,  0.0004894100000000 ]  - [  -0.0018506500000000,  0.0000219200000000,  0.0004495800000000 ]  - [  -0.0018090700000000, -0.0000078300000000,  0.0004894100000000 ]  - [   0.0002986700000000, -0.0024738900000000,  0.0003016900000000 ]  - [   0.0014807500000000,  0.0002137400000000, -0.0005780800000000 ]  - [   0.0002986700000000,  0.0024738900000000,  0.0003016900000000 ]  - [   0.0014807500000000, -0.0002137400000000, -0.0005780800000000 ]  - [   0.0019032500000000,  0.0000000000000000, -0.0004883100000000 ]  - [   0.0017631800000000,  0.0000000000000000, -0.0005179500000000 ]  - [   0.0018672200000000,  0.0000028100000000, -0.0005451500000000 ]  - [   0.0018169600000000,  0.0000094800000000, -0.0005041200000000 ]  - [   0.0018672200000000, -0.0000028100000000, -0.0005451500000000 ]  - [   0.0018169600000000, -0.0000094800000000, -0.0005041200000000 ]  - [   0.0018571900000000,  0.0000000000000000, -0.0005366200000000 ]  - [   0.0018308400000000,  0.0000000000000000, -0.0005152600000000 ]  - [   0.0177070700000000,  0.0000000000000000,  0.0023466700000000 ]  - [   0.0007310400000000,  0.0000000000000000, -0.0010542700000000 ]  - [   0.0012729900000000,  0.0000062100000000, -0.0009576700000000 ]  - [   0.0008434800000000, -0.0000092300000000, -0.0010005100000000 ]  - [   0.0012729900000000, -0.0000062100000000, -0.0009576700000000 ]  - [   0.0008434800000000,  0.0000092300000000, -0.0010005100000000 ]  - [   0.0010151900000000,  0.0000000000000000, -0.0009980900000000 ]  - [   0.0009520700000000,  0.0000000000000000, -0.0010218100000000 ]  - [   0.0010106900000000, -0.0000076100000000, -0.0010184800000000 ]  - [   0.0009596600000000,  0.0000016200000000, -0.0010185300000000 ]  - [   0.0010106900000000,  0.0000076100000000, -0.0010184800000000 ]  - [   0.0009596600000000, -0.0000016200000000, -0.0010185300000000 ]  - [  -0.0016855000000000,  0.0020892200000000,  0.0023664900000000 ]  - [  -0.0012043900000000, -0.0001591300000000,  0.0008279700000000 ]  - [  -0.0016855000000000, -0.0020892200000000,  0.0023664900000000 ]  - [  -0.0012043900000000,  0.0001591300000000,  0.0008279700000000 ]  - [  -0.0008731100000000,  0.0000000000000000,  0.0010269600000000 ]  - [  -0.0010342500000000,  0.0000000000000000,  0.0009252300000000 ]  - [  -0.0009388500000000, -0.0000012000000000,  0.0009402300000000 ]  - [  -0.0009812900000000,  0.0000000900000000,  0.0009723500000000 ]  - [  -0.0009388500000000,  0.0000012000000000,  0.0009402300000000 ]  - [  -0.0009812900000000, -0.0000000900000000,  0.0009723500000000 ]  - [  -0.0009504900000000,  0.0000000000000000,  0.0009541100000000 ]  - [  -0.0009796100000000,  0.0000000000000000,  0.0009705400000000 ]  - [   0.0007498400000000,  0.0000000000000000,  0.0005419900000000 ]  - [   0.0007511500000000,  0.0000000000000000,  0.0014890900000000 ]  - [   0.0009543700000000, -0.0000734900000000,  0.0008992900000000 ]  - [   0.0009551300000000,  0.0000934600000000,  0.0010977000000000 ]  - [   0.0009543700000000,  0.0000734900000000,  0.0008992900000000 ]  - [   0.0009551300000000, -0.0000934600000000,  0.0010977000000000 ]  - [   0.0009701400000000,  0.0000000000000000,  0.0010563800000000 ]  - [   0.0009702700000000,  0.0000000000000000,  0.0008151800000000 ]  - [   0.0009844300000000, -0.0000324300000000,  0.0009945200000000 ]  - [   0.0009845200000000,  0.0000232900000000,  0.0009218400000000 ]  - [   0.0009844300000000,  0.0000324300000000,  0.0009945200000000 ]  - [   0.0009845200000000, -0.0000232900000000,  0.0009218400000000 ]  - [  -0.0009027300000000, -0.0000744300000000, -0.0012268000000000 ]  - [  -0.0010659200000000,  0.0000393700000000, -0.0009596400000000 ]  - [  -0.0009027300000000,  0.0000744300000000, -0.0012268000000000 ]  - [  -0.0010659200000000, -0.0000393700000000, -0.0009596400000000 ]  - [  -0.0009347000000000,  0.0000000000000000, -0.0010329500000000 ]  - [  -0.0010058000000000,  0.0000000000000000, -0.0010013200000000 ]  - [  -0.0009023600000000, -0.0000397600000000, -0.0008801600000000 ]  - [  -0.0010661900000000,  0.0000402500000000, -0.0010455000000000 ]  - [  -0.0009023600000000,  0.0000397600000000, -0.0008801600000000 ]  - [  -0.0010661900000000, -0.0000402500000000, -0.0010455000000000 ]  - [  -0.0009344300000000,  0.0000000000000000, -0.0009957900000000 ]  - [  -0.0010054300000000,  0.0000000000000000, -0.0010254600000000 ]  - [  -0.0016825500000000,  0.0000000000000000,  0.0023145900000000 ]  - [   0.0010051500000000,  0.0000000000000000, -0.0005531600000000 ]  - [   0.0002068900000000,  0.0000039900000000, -0.0006752800000000 ]  - [   0.0007851700000000,  0.0000323700000000, -0.0004897100000000 ]  - [   0.0002068900000000, -0.0000039900000000, -0.0006752800000000 ]  - [   0.0007851700000000, -0.0000323700000000, -0.0004897100000000 ]  - [   0.0003419500000000,  0.0000000000000000, -0.0005231800000000 ]  - [   0.0007246400000000,  0.0000000000000000, -0.0005356900000000 ]  - [   0.0004841100000000, -0.0000381200000000, -0.0004563600000000 ]  - [   0.0006722400000000,  0.0000168600000000, -0.0005203700000000 ]  - [   0.0004841100000000,  0.0000381200000000, -0.0004563600000000 ]  - [   0.0006722400000000, -0.0000168600000000, -0.0005203700000000 ]  - [  -0.0005532900000000, -0.0000980200000000, -0.0000569700000000 ]  - [  -0.0003838700000000,  0.0001733500000000,  0.0007226700000000 ]  - [  -0.0005532900000000,  0.0000980200000000, -0.0000569700000000 ]  - [  -0.0003838700000000, -0.0001733500000000,  0.0007226700000000 ]  - [  -0.0006338700000000,  0.0000000000000000,  0.0004320800000000 ]  - [  -0.0005220600000000,  0.0000000000000000,  0.0005499300000000 ]  - [  -0.0005324400000000, -0.0001197100000000,  0.0007950200000000 ]  - [  -0.0004968400000000,  0.0000571500000000,  0.0003321500000000 ]  - [  -0.0005324400000000,  0.0001197100000000,  0.0007950200000000 ]  - [  -0.0004968400000000, -0.0000571500000000,  0.0003321500000000 ]  - [  -0.0005993700000000,  0.0000000000000000,  0.0005282300000000 ]  - [  -0.0005267200000000,  0.0000000000000000,  0.0004098700000000 ]  - [  -0.0067128200000000,  0.0000000000000000, -0.0003914700000000 ]  - [   0.0024069600000000,  0.0000000000000000,  0.0002683900000000 ]  - [   0.0005892100000000,  0.0005051000000000,  0.0006431200000000 ]  - [   0.0009112100000000, -0.0003897600000000,  0.0005014700000000 ]  - [   0.0005892100000000, -0.0005051000000000,  0.0006431200000000 ]  - [   0.0009112100000000,  0.0003897600000000,  0.0005014700000000 ]  - [   0.0005506700000000,  0.0000000000000000,  0.0004538500000000 ]  - [   0.0006036700000000,  0.0000000000000000,  0.0005236700000000 ]  - [   0.0005592000000000,  0.0000211000000000,  0.0004739900000000 ]  - [   0.0006028800000000, -0.0000055700000000,  0.0005023100000000 ]  - [   0.0005592000000000, -0.0000211000000000,  0.0004739900000000 ]  - [   0.0006028800000000,  0.0000055700000000,  0.0005023100000000 ]  - [  -0.0025621900000000, -0.0014300300000000, -0.0015850700000000 ]  - [  -0.0001274200000000, -0.0000500000000000, -0.0005422200000000 ]  - [  -0.0025621900000000,  0.0014300300000000, -0.0015850700000000 ]  - [  -0.0001274200000000,  0.0000500000000000, -0.0005422200000000 ]  - [  -0.0007041200000000,  0.0000000000000000, -0.0004984300000000 ]  - [  -0.0003773700000000,  0.0000000000000000, -0.0005388600000000 ]  - [  -0.0006372500000000, -0.0000000700000000, -0.0005423700000000 ]  - [  -0.0004772400000000, -0.0000114600000000, -0.0004894800000000 ]  - [  -0.0006372500000000,  0.0000000700000000, -0.0005423700000000 ]  - [  -0.0004772400000000,  0.0000114600000000, -0.0004894800000000 ]  - [  -0.0006158300000000,  0.0000000000000000, -0.0005087200000000 ]  - [  -0.0005028800000000,  0.0000000000000000, -0.0005095600000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0018357600000000, -0.0007525500000000, -0.0004920500000000 ]  - [  -0.0018362300000000, -0.0000609100000000, -0.0004935000000000 ]  - [  -0.0018235500000000,  0.0002508300000000, -0.0006474300000000 ]  - [  -0.0018431700000000,  0.0000445000000000, -0.0005052400000000 ]  - [  -0.0018492300000000,  0.0002503800000000, -0.0003407300000000 ]  - [  -0.0018288300000000,  0.0000444300000000, -0.0004819700000000 ]  - [  -0.0018366300000000, -0.0001332300000000, -0.0004946600000000 ]  - [  -0.0018361200000000, -0.0000311200000000, -0.0004940400000000 ]  - [  -0.0018428300000000,  0.0000863700000000, -0.0004001600000000 ]  - [  -0.0018411300000000,  0.0000282600000000, -0.0004779000000000 ]  - [  -0.0018292300000000,  0.0000872600000000, -0.0005869300000000 ]  - [  -0.0018310500000000,  0.0000283800000000, -0.0005095700000000 ]  - [   0.0005862000000000,  0.0014178800000000, -0.0018307200000000 ]  - [   0.0019019300000000, -0.0000353800000000,  0.0004748300000000 ]  - [   0.0030998900000000,  0.0014236300000000,  0.0028518700000000 ]  - [   0.0017686400000000, -0.0000360200000000,  0.0005199300000000 ]  - [   0.0018358500000000,  0.0002680100000000,  0.0004972800000000 ]  - [   0.0018354900000000,  0.0000988000000000,  0.0004973000000000 ]  - [   0.0018345300000000, -0.0000283300000000,  0.0005470900000000 ]  - [   0.0018394500000000, -0.0000055900000000,  0.0005118200000000 ]  - [   0.0018364200000000, -0.0000285000000000,  0.0004467300000000 ]  - [   0.0018318700000000, -0.0000057100000000,  0.0004820000000000 ]  - [   0.0018356500000000,  0.0000764000000000,  0.0004971200000000 ]  - [   0.0018358000000000,  0.0000360300000000,  0.0004970700000000 ]  - [  -0.0018364300000000, -0.0002060000000000,  0.0004975000000000 ]  - [  -0.0018354800000000, -0.0010849000000000,  0.0004979200000000 ]  - [  -0.0017058800000000,  0.0001431400000000,  0.0004431300000000 ]  - [  -0.0020310800000000,  0.0003186300000000,  0.0003748000000000 ]  - [  -0.0019663300000000,  0.0001430000000000,  0.0005508200000000 ]  - [  -0.0016433800000000,  0.0003174700000000,  0.0006184800000000 ]  - [  -0.0018367600000000, -0.0000741100000000,  0.0004970000000000 ]  - [  -0.0018361100000000, -0.0000294000000000,  0.0004968200000000 ]  - [  -0.0018124900000000,  0.0000488400000000,  0.0005182900000000 ]  - [  -0.0018457500000000,  0.0000261900000000,  0.0005127200000000 ]  - [  -0.0018603400000000,  0.0000487600000000,  0.0004758500000000 ]  - [  -0.0018267300000000,  0.0000265200000000,  0.0004818200000000 ]  - [   0.0040525500000000,  0.0012878300000000, -0.0012343200000000 ]  - [   0.0016805300000000, -0.0000493700000000, -0.0005506800000000 ]  - [  -0.0004033200000000,  0.0012977000000000,  0.0002568200000000 ]  - [   0.0019915400000000, -0.0000511200000000, -0.0004366300000000 ]  - [   0.0018354700000000,  0.0002545300000000, -0.0004936100000000 ]  - [   0.0018363000000000,  0.0001535300000000, -0.0004936900000000 ]  - [   0.0018503100000000, -0.0000109700000000, -0.0004630100000000 ]  - [   0.0018218900000000, -0.0000089100000000, -0.0004818500000000 ]  - [   0.0018216400000000, -0.0000112100000000, -0.0005250700000000 ]  - [   0.0018500900000000, -0.0000091300000000, -0.0005054300000000 ]  - [   0.0018361500000000,  0.0000494000000000, -0.0004941200000000 ]  - [   0.0018363200000000,  0.0000422400000000, -0.0004938600000000 ]  - [   0.0010681000000000, -0.0241433100000000, -0.0010900900000000 ]  - [   0.0009732300000000, -0.0000344700000000, -0.0009862700000000 ]  - [   0.0009815700000000,  0.0008953400000000, -0.0010174900000000 ]  - [   0.0009647600000000,  0.0000311400000000, -0.0009932700000000 ]  - [   0.0009669200000000,  0.0008879600000000, -0.0009566200000000 ]  - [   0.0009838000000000,  0.0000313400000000, -0.0009797000000000 ]  - [   0.0009742700000000, -0.0000340900000000, -0.0009869200000000 ]  - [   0.0009747100000000, -0.0000115400000000, -0.0009865000000000 ]  - [   0.0009661600000000,  0.0000288700000000, -0.0009982700000000 ]  - [   0.0009759200000000,  0.0000183200000000, -0.0009890900000000 ]  - [   0.0009818400000000,  0.0000286500000000, -0.0009757600000000 ]  - [   0.0009730900000000,  0.0000179300000000, -0.0009842000000000 ]  - [  -0.0030698700000000,  0.0013384200000000,  0.0022719800000000 ]  - [  -0.0008165000000000, -0.0000315100000000,  0.0010473000000000 ]  - [   0.0011470700000000,  0.0013517300000000, -0.0003073100000000 ]  - [  -0.0011339800000000, -0.0000307100000000,  0.0009324300000000 ]  - [  -0.0009742700000000,  0.0002274900000000,  0.0009895500000000 ]  - [  -0.0009745800000000,  0.0000908100000000,  0.0009899100000000 ]  - [  -0.0009730700000000, -0.0000109100000000,  0.0009491900000000 ]  - [  -0.0009744400000000,  0.0000006700000000,  0.0009859000000000 ]  - [  -0.0009765900000000, -0.0000116100000000,  0.0010300700000000 ]  - [  -0.0009742600000000,  0.0000004200000000,  0.0009945900000000 ]  - [  -0.0009751400000000,  0.0000501200000000,  0.0009900100000000 ]  - [  -0.0009747000000000,  0.0000230200000000,  0.0009902100000000 ]  - [   0.0009756600000000, -0.0001790900000000,  0.0009896400000000 ]  - [   0.0009774500000000, -0.0001790600000000,  0.0009906500000000 ]  - [   0.0010704700000000,  0.0001085200000000,  0.0010490800000000 ]  - [   0.0009026800000000,  0.0001090100000000,  0.0011301500000000 ]  - [   0.0008824300000000,  0.0001095100000000,  0.0009320200000000 ]  - [   0.0010495100000000,  0.0001089700000000,  0.0008512000000000 ]  - [   0.0009764000000000, -0.0000812900000000,  0.0009900500000000 ]  - [   0.0009764800000000, -0.0000814200000000,  0.0009897700000000 ]  - [   0.0009993400000000,  0.0000548500000000,  0.0009503600000000 ]  - [   0.0009434400000000,  0.0000549300000000,  0.0009633100000000 ]  - [   0.0009532500000000,  0.0000546300000000,  0.0010303500000000 ]  - [   0.0010091000000000,  0.0000547300000000,  0.0010170500000000 ]  - [  -0.0009355400000000,  0.0000088600000000, -0.0007505400000000 ]  - [  -0.0010170700000000, -0.0000150600000000, -0.0009602800000000 ]  - [  -0.0010181700000000,  0.0000098500000000, -0.0012256200000000 ]  - [  -0.0009361600000000, -0.0000153600000000, -0.0010130400000000 ]  - [  -0.0009767800000000,  0.0000965300000000, -0.0009872700000000 ]  - [  -0.0009767100000000,  0.0000543500000000, -0.0009868000000000 ]  - [  -0.0009017800000000,  0.0000102600000000, -0.0011956900000000 ]  - [  -0.0010164900000000, -0.0000146200000000, -0.0009805100000000 ]  - [  -0.0010509800000000,  0.0000083000000000, -0.0007782300000000 ]  - [  -0.0009371200000000, -0.0000153100000000, -0.0009944200000000 ]  - [  -0.0009767200000000,  0.0000966500000000, -0.0009863300000000 ]  - [  -0.0009764400000000,  0.0000538700000000, -0.0009869200000000 ]  - [   0.0005665800000000,  0.0015072300000000, -0.0005002900000000 ]  - [   0.0005711200000000,  0.0001052300000000, -0.0004944900000000 ]  - [   0.0007179400000000, -0.0004814300000000, -0.0009174700000000 ]  - [   0.0005305100000000, -0.0000375500000000, -0.0005129500000000 ]  - [   0.0004233500000000, -0.0004813000000000, -0.0000762800000000 ]  - [   0.0006103400000000, -0.0000381200000000, -0.0004767000000000 ]  - [   0.0005708400000000,  0.0002627600000000, -0.0004944100000000 ]  - [   0.0005702400000000,  0.0000853400000000, -0.0004950900000000 ]  - [   0.0005823500000000, -0.0001377300000000, -0.0003804400000000 ]  - [   0.0005494300000000, -0.0000304800000000, -0.0004725500000000 ]  - [   0.0005585700000000, -0.0001381300000000, -0.0006085500000000 ]  - [   0.0005913600000000, -0.0000302400000000, -0.0005171100000000 ]  - [  -0.0003897800000000,  0.0001418000000000, -0.0001169500000000 ]  - [  -0.0007130600000000,  0.0000788900000000,  0.0004368400000000 ]  - [  -0.0007531300000000,  0.0001417700000000,  0.0011161300000000 ]  - [  -0.0004280500000000,  0.0000787500000000,  0.0005606600000000 ]  - [  -0.0005709300000000, -0.0002033600000000,  0.0004984200000000 ]  - [  -0.0005706900000000, -0.0001119100000000,  0.0004981500000000 ]  - [  -0.0002507300000000,  0.0001063300000000,  0.0009463700000000 ]  - [  -0.0006125600000000,  0.0000686500000000,  0.0005655300000000 ]  - [  -0.0008909800000000,  0.0001078600000000,  0.0000492200000000 ]  - [  -0.0005300500000000,  0.0000697100000000,  0.0004309300000000 ]  - [  -0.0005709100000000, -0.0001602200000000,  0.0004981400000000 ]  - [  -0.0005705900000000, -0.0001227900000000,  0.0004980100000000 ]  - [   0.0005647500000000,  0.0015761500000000,  0.0004912000000000 ]  - [   0.0005708900000000,  0.0007137800000000,  0.0004975300000000 ]  - [   0.0001794200000000, -0.0005611100000000,  0.0003449600000000 ]  - [   0.0009147000000000, -0.0004064500000000,  0.0005598300000000 ]  - [   0.0009581800000000, -0.0005604200000000,  0.0006508200000000 ]  - [   0.0002273400000000, -0.0004055600000000,  0.0004367600000000 ]  - [   0.0005706900000000,  0.0000958400000000,  0.0004983800000000 ]  - [   0.0005700100000000,  0.0000560800000000,  0.0004983700000000 ]  - [   0.0005594300000000, -0.0000356200000000,  0.0005078000000000 ]  - [   0.0005792500000000, -0.0000157400000000,  0.0005142500000000 ]  - [   0.0005813200000000, -0.0000360700000000,  0.0004891300000000 ]  - [   0.0005612500000000, -0.0000160000000000,  0.0004823400000000 ]  - [   0.0010794700000000,  0.0061944600000000,  0.0028384100000000 ]  - [  -0.0005413500000000,  0.0000803200000000, -0.0004940800000000 ]  - [  -0.0022941800000000,  0.0063605900000000, -0.0039751600000000 ]  - [  -0.0005990600000000,  0.0000815100000000, -0.0004959700000000 ]  - [  -0.0005697200000000, -0.0005792700000000, -0.0004932700000000 ]  - [  -0.0005708000000000, -0.0001406900000000, -0.0004947100000000 ]  - [  -0.0005947600000000,  0.0000420800000000, -0.0004698500000000 ]  - [  -0.0005527100000000,  0.0000336200000000, -0.0004734100000000 ]  - [  -0.0005465300000000,  0.0000427500000000, -0.0005184200000000 ]  - [  -0.0005884900000000,  0.0000337400000000, -0.0005160800000000 ]  - [  -0.0005705800000000, -0.0000652700000000, -0.0004946900000000 ]  - [  -0.0005706200000000, -0.0000429500000000, -0.0004947300000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0026529400000000,  0.0000000000000000,  0.0018643500000000 ]  - [  -0.0017368800000000,  0.0000000000000000, -0.0005310800000000 ]  - [  -0.0018867900000000, -0.0001926600000000, -0.0004159900000000 ]  - [  -0.0018023800000000, -0.0000267300000000, -0.0005342000000000 ]  - [  -0.0018867900000000,  0.0001926600000000, -0.0004159900000000 ]  - [  -0.0018023800000000,  0.0000267300000000, -0.0005342000000000 ]  - [  -0.0016586100000000,  0.0000000000000000,  0.0000316500000000 ]  - [  -0.0018978600000000,  0.0000000000000000, -0.0004270300000000 ]  - [  -0.0018188200000000,  0.0001317000000000, -0.0003833900000000 ]  - [  -0.0018621700000000,  0.0000311100000000, -0.0004772900000000 ]  - [  -0.0018188200000000, -0.0001317000000000, -0.0003833900000000 ]  - [  -0.0018621700000000, -0.0000311100000000, -0.0004772900000000 ]  - [   0.0031507500000000, -0.0025545000000000,  0.0018835300000000 ]  - [   0.0017913900000000, -0.0000499900000000,  0.0003950500000000 ]  - [   0.0031507500000000,  0.0025545000000000,  0.0018835300000000 ]  - [   0.0017913900000000,  0.0000499900000000,  0.0003950500000000 ]  - [   0.0018709300000000,  0.0000000000000000,  0.0003392600000000 ]  - [   0.0018196200000000,  0.0000000000000000,  0.0004347800000000 ]  - [   0.0017918400000000,  0.0000809900000000,  0.0006891600000000 ]  - [   0.0018530600000000,  0.0000093300000000,  0.0005663200000000 ]  - [   0.0017918400000000, -0.0000809900000000,  0.0006891600000000 ]  - [   0.0018530600000000, -0.0000093300000000,  0.0005663200000000 ]  - [   0.0018172900000000,  0.0000000000000000,  0.0005741800000000 ]  - [   0.0018412400000000,  0.0000000000000000,  0.0005407600000000 ]  - [  -0.0020599500000000,  0.0000000000000000,  0.0004050800000000 ]  - [   0.0004679800000000,  0.0000000000000000,  0.0012630400000000 ]  - [  -0.0019382700000000, -0.0000760400000000,  0.0004422000000000 ]  - [  -0.0016611000000000, -0.0001970600000000,  0.0004507600000000 ]  - [  -0.0019382700000000,  0.0000760400000000,  0.0004422000000000 ]  - [  -0.0016611000000000,  0.0001970600000000,  0.0004507600000000 ]  - [  -0.0017685500000000,  0.0000000000000000,  0.0005827600000000 ]  - [  -0.0019136200000000,  0.0000000000000000,  0.0006633100000000 ]  - [  -0.0018117700000000,  0.0000462700000000,  0.0005486800000000 ]  - [  -0.0018814900000000,  0.0000532500000000,  0.0005882900000000 ]  - [  -0.0018117700000000, -0.0000462700000000,  0.0005486800000000 ]  - [  -0.0018814900000000, -0.0000532500000000,  0.0005882900000000 ]  - [   0.0009969500000000, -0.0009474300000000, -0.0014340900000000 ]  - [   0.0018813900000000, -0.0000850500000000, -0.0006380500000000 ]  - [   0.0009969500000000,  0.0009474300000000, -0.0014340900000000 ]  - [   0.0018813900000000,  0.0000850500000000, -0.0006380500000000 ]  - [   0.0018629200000000,  0.0000000000000000, -0.0006662000000000 ]  - [   0.0018202300000000,  0.0000000000000000, -0.0005767900000000 ]  - [   0.0018472500000000,  0.0000332700000000, -0.0003584700000000 ]  - [   0.0018237300000000,  0.0000020600000000, -0.0004087900000000 ]  - [   0.0018472500000000, -0.0000332700000000, -0.0003584700000000 ]  - [   0.0018237300000000, -0.0000020600000000, -0.0004087900000000 ]  - [   0.0018379000000000,  0.0000000000000000, -0.0004160900000000 ]  - [   0.0018238300000000,  0.0000000000000000, -0.0004359400000000 ]  - [   0.0015247400000000,  0.0000000000000000, -0.0226025000000000 ]  - [   0.0010122400000000,  0.0000000000000000, -0.0010975900000000 ]  - [   0.0009176300000000,  0.0000297100000000, -0.0014036000000000 ]  - [   0.0009600200000000,  0.0000065300000000, -0.0010796800000000 ]  - [   0.0009176300000000, -0.0000297100000000, -0.0014036000000000 ]  - [   0.0009600200000000, -0.0000065300000000, -0.0010796800000000 ]  - [   0.0009570500000000,  0.0000000000000000, -0.0007704700000000 ]  - [   0.0009817900000000,  0.0000000000000000, -0.0009105500000000 ]  - [   0.0009771600000000,  0.0000113700000000, -0.0008744000000000 ]  - [   0.0009781500000000,  0.0000025400000000, -0.0009282200000000 ]  - [   0.0009771600000000, -0.0000113700000000, -0.0008744000000000 ]  - [   0.0009781500000000, -0.0000025400000000, -0.0009282200000000 ]  - [  -0.0023889400000000,  0.0012900300000000,  0.0005604800000000 ]  - [  -0.0008416500000000,  0.0000567600000000,  0.0008214400000000 ]  - [  -0.0023889400000000, -0.0012900300000000,  0.0005604800000000 ]  - [  -0.0008416500000000, -0.0000567600000000,  0.0008214400000000 ]  - [  -0.0010406600000000,  0.0000000000000000,  0.0009293800000000 ]  - [  -0.0009380700000000,  0.0000000000000000,  0.0008977400000000 ]  - [  -0.0009543800000000, -0.0000402300000000,  0.0011534000000000 ]  - [  -0.0009854400000000, -0.0000042000000000,  0.0010784600000000 ]  - [  -0.0009543800000000,  0.0000402300000000,  0.0011534000000000 ]  - [  -0.0009854400000000,  0.0000042000000000,  0.0010784600000000 ]  - [  -0.0009680200000000,  0.0000000000000000,  0.0010537600000000 ]  - [  -0.0009839000000000,  0.0000000000000000,  0.0010414600000000 ]  - [   0.0014955600000000,  0.0000000000000000,  0.0011418200000000 ]  - [   0.0005419000000000,  0.0000000000000000,  0.0011465900000000 ]  - [   0.0011035100000000,  0.0001393900000000,  0.0009163700000000 ]  - [   0.0009033100000000,  0.0000587900000000,  0.0009165900000000 ]  - [   0.0011035100000000, -0.0001393900000000,  0.0009163700000000 ]  - [   0.0009033100000000, -0.0000587900000000,  0.0009165900000000 ]  - [   0.0008214700000000,  0.0000000000000000,  0.0011377200000000 ]  - [   0.0010621600000000,  0.0000000000000000,  0.0011374000000000 ]  - [   0.0009271000000000, -0.0000267100000000,  0.0010658000000000 ]  - [   0.0009995500000000, -0.0000399800000000,  0.0010655300000000 ]  - [   0.0009271000000000,  0.0000267100000000,  0.0010658000000000 ]  - [   0.0009995500000000,  0.0000399800000000,  0.0010655300000000 ]  - [  -0.0008508100000000,  0.0002073400000000, -0.0006206300000000 ]  - [  -0.0010171900000000, -0.0000065400000000, -0.0009991300000000 ]  - [  -0.0008508100000000, -0.0002073400000000, -0.0006206300000000 ]  - [  -0.0010171900000000,  0.0000065400000000, -0.0009991300000000 ]  - [  -0.0009676000000000,  0.0000000000000000, -0.0009585600000000 ]  - [  -0.0009973000000000,  0.0000000000000000, -0.0009956600000000 ]  - [  -0.0011987600000000, -0.0002373000000000, -0.0006187400000000 ]  - [  -0.0009309200000000, -0.0000262000000000, -0.0010004200000000 ]  - [  -0.0011987600000000,  0.0002373000000000, -0.0006187400000000 ]  - [  -0.0009309200000000,  0.0000262000000000, -0.0010004200000000 ]  - [  -0.0010042200000000,  0.0000000000000000, -0.0009581800000000 ]  - [  -0.0009726600000000,  0.0000000000000000, -0.0009958300000000 ]  - [  -0.0014247200000000,  0.0000000000000000,  0.0085992200000000 ]  - [   0.0004591700000000,  0.0000000000000000, -0.0004088700000000 ]  - [   0.0007368100000000, -0.0005487700000000, -0.0002967600000000 ]  - [   0.0005338100000000, -0.0000536100000000, -0.0004213500000000 ]  - [   0.0007368100000000,  0.0005487700000000, -0.0002967600000000 ]  - [   0.0005338100000000,  0.0000536100000000, -0.0004213500000000 ]  - [   0.0002674800000000,  0.0000000000000000, -0.0012627500000000 ]  - [   0.0005951300000000,  0.0000000000000000, -0.0006192600000000 ]  - [   0.0005755100000000,  0.0001300300000000, -0.0007511500000000 ]  - [   0.0005875100000000,  0.0000215300000000, -0.0006039400000000 ]  - [   0.0005755100000000, -0.0001300300000000, -0.0007511500000000 ]  - [   0.0005875100000000, -0.0000215300000000, -0.0006039400000000 ]  - [  -0.0001441000000000, -0.0003026700000000,  0.0002104100000000 ]  - [  -0.0008698100000000, -0.0001646700000000,  0.0003378600000000 ]  - [  -0.0001441000000000,  0.0003026700000000,  0.0002104100000000 ]  - [  -0.0008698100000000,  0.0001646700000000,  0.0003378600000000 ]  - [  -0.0004720700000000,  0.0000000000000000,  0.0004717200000000 ]  - [  -0.0006791600000000,  0.0000000000000000,  0.0004409000000000 ]  - [  -0.0010271500000000,  0.0001720300000000,  0.0000101000000000 ]  - [  -0.0003259200000000,  0.0001484600000000,  0.0003491000000000 ]  - [  -0.0010271500000000, -0.0001720300000000,  0.0000101000000000 ]  - [  -0.0003259200000000, -0.0001484600000000,  0.0003491000000000 ]  - [  -0.0006128500000000,  0.0000000000000000,  0.0004614700000000 ]  - [  -0.0005094100000000,  0.0000000000000000,  0.0004470800000000 ]  - [   0.0006924900000000,  0.0000000000000000,  0.0024302800000000 ]  - [   0.0006373400000000,  0.0000000000000000,  0.0013387200000000 ]  - [   0.0006347000000000,  0.0000696100000000,  0.0010790400000000 ]  - [   0.0006286100000000, -0.0001100300000000,  0.0007723700000000 ]  - [   0.0006347000000000, -0.0000696100000000,  0.0010790400000000 ]  - [   0.0006286100000000,  0.0001100300000000,  0.0007723700000000 ]  - [   0.0005677000000000,  0.0000000000000000,  0.0001948400000000 ]  - [   0.0005449700000000,  0.0000000000000000,  0.0002283300000000 ]  - [   0.0005590200000000, -0.0000223400000000,  0.0002746700000000 ]  - [   0.0005546000000000,  0.0000019100000000,  0.0003048700000000 ]  - [   0.0005590200000000,  0.0000223400000000,  0.0002746700000000 ]  - [   0.0005546000000000, -0.0000019100000000,  0.0003048700000000 ]  - [   0.0003589500000000,  0.0026971500000000,  0.0031707200000000 ]  - [  -0.0005931800000000,  0.0000271900000000, -0.0003421900000000 ]  - [   0.0003589500000000, -0.0026971500000000,  0.0031707200000000 ]  - [  -0.0005931800000000, -0.0000271900000000, -0.0003421900000000 ]  - [  -0.0005748600000000,  0.0000000000000000, -0.0003953100000000 ]  - [  -0.0005407100000000,  0.0000000000000000, -0.0004024300000000 ]  - [  -0.0005616000000000,  0.0000494700000000, -0.0009332500000000 ]  - [  -0.0006046400000000,  0.0000221300000000, -0.0006603600000000 ]  - [  -0.0005616000000000, -0.0000494700000000, -0.0009332500000000 ]  - [  -0.0006046400000000, -0.0000221300000000, -0.0006603600000000 ]  - [  -0.0005851800000000,  0.0000000000000000, -0.0006902500000000 ]  - [  -0.0005934200000000,  0.0000000000000000, -0.0006104800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010123700000000,  0.0000000000000000, -0.0029023800000000 ]  - [  -0.0019412600000000,  0.0000000000000000, -0.0004752000000000 ]  - [  -0.0017909400000000,  0.0001922800000000, -0.0005896400000000 ]  - [  -0.0018747300000000,  0.0000268600000000, -0.0004722000000000 ]  - [  -0.0017909400000000, -0.0001922800000000, -0.0005896400000000 ]  - [  -0.0018747300000000, -0.0000268600000000, -0.0004722000000000 ]  - [  -0.0020187100000000,  0.0000000000000000, -0.0010344500000000 ]  - [  -0.0017799900000000,  0.0000000000000000, -0.0005796800000000 ]  - [  -0.0018583100000000, -0.0001316200000000, -0.0006225400000000 ]  - [  -0.0018153500000000, -0.0000310100000000, -0.0005293800000000 ]  - [  -0.0018583100000000,  0.0001316200000000, -0.0006225400000000 ]  - [  -0.0018153500000000,  0.0000310100000000, -0.0005293800000000 ]  - [   0.0005297300000000,  0.0025309800000000, -0.0008962900000000 ]  - [   0.0018730000000000,  0.0000498400000000,  0.0005824400000000 ]  - [   0.0005297300000000, -0.0025309800000000, -0.0008962900000000 ]  - [   0.0018730000000000, -0.0000498400000000,  0.0005824400000000 ]  - [   0.0017949700000000,  0.0000000000000000,  0.0006376800000000 ]  - [   0.0018455100000000,  0.0000000000000000,  0.0005427700000000 ]  - [   0.0018738800000000, -0.0000816700000000,  0.0002880400000000 ]  - [   0.0018124300000000, -0.0000094000000000,  0.0004112000000000 ]  - [   0.0018738800000000,  0.0000816700000000,  0.0002880400000000 ]  - [   0.0018124300000000,  0.0000094000000000,  0.0004112000000000 ]  - [   0.0018483200000000,  0.0000000000000000,  0.0004039100000000 ]  - [   0.0018246000000000,  0.0000000000000000,  0.0004370100000000 ]  - [  -0.0016189700000000,  0.0000000000000000,  0.0005759600000000 ]  - [  -0.0041650400000000,  0.0000000000000000, -0.0002934900000000 ]  - [  -0.0017398900000000,  0.0000755700000000,  0.0005357200000000 ]  - [  -0.0020169800000000,  0.0001973100000000,  0.0005262900000000 ]  - [  -0.0017398900000000, -0.0000755700000000,  0.0005357200000000 ]  - [  -0.0020169800000000, -0.0001973100000000,  0.0005262900000000 ]  - [  -0.0019097800000000,  0.0000000000000000,  0.0003948200000000 ]  - [  -0.0017635500000000,  0.0000000000000000,  0.0003135000000000 ]  - [  -0.0018660100000000, -0.0000460000000000,  0.0004290000000000 ]  - [  -0.0017963100000000, -0.0000530500000000,  0.0003899000000000 ]  - [  -0.0018660100000000,  0.0000460000000000,  0.0004290000000000 ]  - [  -0.0017963100000000,  0.0000530500000000,  0.0003899000000000 ]  - [   0.0026690600000000,  0.0009435400000000,  0.0004214700000000 ]  - [   0.0017840200000000,  0.0000879800000000, -0.0003696000000000 ]  - [   0.0026690600000000, -0.0009435400000000,  0.0004214700000000 ]  - [   0.0017840200000000, -0.0000879800000000, -0.0003696000000000 ]  - [   0.0018033300000000,  0.0000000000000000, -0.0003413800000000 ]  - [   0.0018463500000000,  0.0000000000000000, -0.0004302400000000 ]  - [   0.0018189100000000, -0.0000333800000000, -0.0006484500000000 ]  - [   0.0018427200000000, -0.0000018700000000, -0.0005975400000000 ]  - [   0.0018189100000000,  0.0000333800000000, -0.0006484500000000 ]  - [   0.0018427200000000,  0.0000018700000000, -0.0005975400000000 ]  - [   0.0018287600000000,  0.0000000000000000, -0.0005908200000000 ]  - [   0.0018430300000000,  0.0000000000000000, -0.0005707100000000 ]  - [   0.0014172600000000,  0.0000000000000000,  0.0223970400000000 ]  - [   0.0009284200000000,  0.0000000000000000, -0.0008932600000000 ]  - [   0.0010255700000000, -0.0000314300000000, -0.0005910400000000 ]  - [   0.0009832600000000, -0.0000069200000000, -0.0009114700000000 ]  - [   0.0010255700000000,  0.0000314300000000, -0.0005910400000000 ]  - [   0.0009832600000000,  0.0000069200000000, -0.0009114700000000 ]  - [   0.0009868600000000,  0.0000000000000000, -0.0012207700000000 ]  - [   0.0009626500000000,  0.0000000000000000, -0.0010802700000000 ]  - [   0.0009661800000000, -0.0000109500000000, -0.0011170900000000 ]  - [   0.0009659000000000, -0.0000022000000000, -0.0010627400000000 ]  - [   0.0009661800000000,  0.0000109500000000, -0.0011170900000000 ]  - [   0.0009659000000000,  0.0000022000000000, -0.0010627400000000 ]  - [   0.0004347500000000, -0.0012885900000000,  0.0014129800000000 ]  - [  -0.0011146800000000, -0.0000580100000000,  0.0011401500000000 ]  - [   0.0004347500000000,  0.0012885900000000,  0.0014129800000000 ]  - [  -0.0011146800000000,  0.0000580100000000,  0.0011401500000000 ]  - [  -0.0009147100000000,  0.0000000000000000,  0.0010323200000000 ]  - [  -0.0010166500000000,  0.0000000000000000,  0.0010640400000000 ]  - [  -0.0010010000000000,  0.0000406800000000,  0.0008085700000000 ]  - [  -0.0009696100000000,  0.0000045000000000,  0.0008843400000000 ]  - [  -0.0010010000000000, -0.0000406800000000,  0.0008085700000000 ]  - [  -0.0009696100000000, -0.0000045000000000,  0.0008843400000000 ]  - [  -0.0009880900000000,  0.0000000000000000,  0.0009084100000000 ]  - [  -0.0009716600000000,  0.0000000000000000,  0.0009211200000000 ]  - [   0.0004575000000000,  0.0000000000000000,  0.0008189200000000 ]  - [   0.0014041400000000,  0.0000000000000000,  0.0008213300000000 ]  - [   0.0008454900000000, -0.0001393500000000,  0.0010457100000000 ]  - [   0.0010441300000000, -0.0000585300000000,  0.0010457300000000 ]  - [   0.0008454900000000,  0.0001393500000000,  0.0010457100000000 ]  - [   0.0010441300000000,  0.0000585300000000,  0.0010457300000000 ]  - [   0.0011273300000000,  0.0000000000000000,  0.0008245700000000 ]  - [   0.0008854100000000,  0.0000000000000000,  0.0008243900000000 ]  - [   0.0010205100000000,  0.0000268600000000,  0.0008975900000000 ]  - [   0.0009481500000000,  0.0000403100000000,  0.0008974300000000 ]  - [   0.0010205100000000, -0.0000268600000000,  0.0008975900000000 ]  - [   0.0009481500000000, -0.0000403100000000,  0.0008974300000000 ]  - [  -0.0011091000000000, -0.0002099300000000, -0.0013707000000000 ]  - [  -0.0009422800000000,  0.0000068500000000, -0.0009918100000000 ]  - [  -0.0011091000000000,  0.0002099300000000, -0.0013707000000000 ]  - [  -0.0009422800000000, -0.0000068500000000, -0.0009918100000000 ]  - [  -0.0009919200000000,  0.0000000000000000, -0.0010328400000000 ]  - [  -0.0009622400000000,  0.0000000000000000, -0.0009956700000000 ]  - [  -0.0007617300000000,  0.0002374900000000, -0.0013693400000000 ]  - [  -0.0010286300000000,  0.0000267400000000, -0.0009925900000000 ]  - [  -0.0007617300000000, -0.0002374900000000, -0.0013693400000000 ]  - [  -0.0010286300000000, -0.0000267400000000, -0.0009925900000000 ]  - [  -0.0009550800000000,  0.0000000000000000, -0.0010326300000000 ]  - [  -0.0009862100000000,  0.0000000000000000, -0.0009960400000000 ]  - [   0.0024406500000000,  0.0000000000000000, -0.0092060400000000 ]  - [   0.0006794900000000,  0.0000000000000000, -0.0005963700000000 ]  - [   0.0004014900000000,  0.0005455900000000, -0.0007114800000000 ]  - [   0.0006030300000000,  0.0000542400000000, -0.0005851400000000 ]  - [   0.0004014900000000, -0.0005455900000000, -0.0007114800000000 ]  - [   0.0006030300000000, -0.0000542400000000, -0.0005851400000000 ]  - [   0.0008724300000000,  0.0000000000000000,  0.0002584200000000 ]  - [   0.0005410500000000,  0.0000000000000000, -0.0003893900000000 ]  - [   0.0005608200000000, -0.0001298500000000, -0.0002572700000000 ]  - [   0.0005492200000000, -0.0000219900000000, -0.0004041700000000 ]  - [   0.0005608200000000,  0.0001298500000000, -0.0002572700000000 ]  - [   0.0005492200000000,  0.0000219900000000, -0.0004041700000000 ]  - [  -0.0010065300000000,  0.0003062100000000,  0.0007657600000000 ]  - [  -0.0002780200000000,  0.0001658300000000,  0.0006411300000000 ]  - [  -0.0010065300000000, -0.0003062100000000,  0.0007657600000000 ]  - [  -0.0002780200000000, -0.0001658300000000,  0.0006411300000000 ]  - [  -0.0006756300000000,  0.0000000000000000,  0.0005061200000000 ]  - [  -0.0004693100000000,  0.0000000000000000,  0.0005365800000000 ]  - [  -0.0001238900000000, -0.0001732200000000,  0.0009657800000000 ]  - [  -0.0008214200000000, -0.0001478300000000,  0.0006283700000000 ]  - [  -0.0001238900000000,  0.0001732200000000,  0.0009657800000000 ]  - [  -0.0008214200000000,  0.0001478300000000,  0.0006283700000000 ]  - [  -0.0005354800000000,  0.0000000000000000,  0.0005174200000000 ]  - [  -0.0006379000000000,  0.0000000000000000,  0.0005313800000000 ]  - [   0.0004592300000000,  0.0000000000000000, -0.0014471200000000 ]  - [   0.0005043600000000,  0.0000000000000000, -0.0003603600000000 ]  - [   0.0005000200000000, -0.0000692600000000, -0.0000982200000000 ]  - [   0.0005087200000000,  0.0001086400000000,  0.0002079100000000 ]  - [   0.0005000200000000,  0.0000692600000000, -0.0000982200000000 ]  - [   0.0005087200000000, -0.0001086400000000,  0.0002079100000000 ]  - [   0.0005687300000000,  0.0000000000000000,  0.0007831100000000 ]  - [   0.0005909100000000,  0.0000000000000000,  0.0007505500000000 ]  - [   0.0005769600000000,  0.0000226100000000,  0.0007034800000000 ]  - [   0.0005815800000000, -0.0000019500000000,  0.0006733200000000 ]  - [   0.0005769600000000, -0.0000226100000000,  0.0007034800000000 ]  - [   0.0005815800000000,  0.0000019500000000,  0.0006733200000000 ]  - [  -0.0015483600000000, -0.0027885700000000, -0.0042266100000000 ]  - [  -0.0005522700000000, -0.0000285400000000, -0.0006661300000000 ]  - [  -0.0015483600000000,  0.0027885700000000, -0.0042266100000000 ]  - [  -0.0005522700000000,  0.0000285400000000, -0.0006661300000000 ]  - [  -0.0005724100000000,  0.0000000000000000, -0.0006108800000000 ]  - [  -0.0006067000000000,  0.0000000000000000, -0.0006047800000000 ]  - [  -0.0005861000000000, -0.0000498000000000, -0.0000747800000000 ]  - [  -0.0005429300000000, -0.0000221200000000, -0.0003470800000000 ]  - [  -0.0005861000000000,  0.0000498000000000, -0.0000747800000000 ]  - [  -0.0005429300000000,  0.0000221200000000, -0.0003470800000000 ]  - [  -0.0005624300000000,  0.0000000000000000, -0.0003175500000000 ]  - [  -0.0005541000000000,  0.0000000000000000, -0.0003970800000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0017339100000000,  0.0000000000000000, -0.0003070100000000 ]  - [  -0.0019754100000000,  0.0000000000000000, -0.0006027600000000 ]  - [  -0.0017609800000000, -0.0000108500000000, -0.0004368500000000 ]  - [  -0.0019177500000000,  0.0000226100000000, -0.0005420100000000 ]  - [  -0.0017609800000000,  0.0000108500000000, -0.0004368500000000 ]  - [  -0.0019177500000000, -0.0000226100000000, -0.0005420100000000 ]  - [   0.0009485500000000,  0.0000000000000000,  0.0019202300000000 ]  - [  -0.0026633600000000,  0.0000000000000000, -0.0000091900000000 ]  - [  -0.0014481700000000, -0.0001761000000000, -0.0006434200000000 ]  - [  -0.0020730900000000,  0.0001415200000000, -0.0004634100000000 ]  - [  -0.0014481700000000,  0.0001761000000000, -0.0006434200000000 ]  - [  -0.0020730900000000, -0.0001415200000000, -0.0004634100000000 ]  - [   0.0041567800000000, -0.0006555700000000,  0.0001161800000000 ]  - [   0.0011050400000000, -0.0005580300000000,  0.0003249400000000 ]  - [   0.0041567800000000,  0.0006555700000000,  0.0001161800000000 ]  - [   0.0011050400000000,  0.0005580300000000,  0.0003249400000000 ]  - [   0.0019985400000000,  0.0000000000000000,  0.0004629000000000 ]  - [   0.0016856600000000,  0.0000000000000000,  0.0004956200000000 ]  - [   0.0019089300000000,  0.0000204400000000,  0.0004878600000000 ]  - [   0.0017674200000000, -0.0000173600000000,  0.0005257200000000 ]  - [   0.0019089300000000, -0.0000204400000000,  0.0004878600000000 ]  - [   0.0017674200000000,  0.0000173600000000,  0.0005257200000000 ]  - [   0.0018885400000000,  0.0000000000000000,  0.0004988600000000 ]  - [   0.0017870800000000,  0.0000000000000000,  0.0005095100000000 ]  - [  -0.0020480900000000,  0.0000000000000000,  0.0006053500000000 ]  - [  -0.0014943600000000,  0.0000000000000000,  0.0002051300000000 ]  - [  -0.0019673300000000, -0.0000084600000000,  0.0005676400000000 ]  - [  -0.0017142100000000,  0.0000880500000000,  0.0003557300000000 ]  - [  -0.0019673300000000,  0.0000084600000000,  0.0005676400000000 ]  - [  -0.0017142100000000, -0.0000880500000000,  0.0003557300000000 ]  - [  -0.0022632300000000,  0.0000000000000000,  0.0002952900000000 ]  - [  -0.0017296100000000,  0.0000000000000000,  0.0014037100000000 ]  - [  -0.0020014100000000, -0.0001174600000000,  0.0004016700000000 ]  - [  -0.0017502600000000,  0.0002053600000000,  0.0007095500000000 ]  - [  -0.0020014100000000,  0.0001174600000000,  0.0004016700000000 ]  - [  -0.0017502600000000, -0.0002053600000000,  0.0007095500000000 ]  - [   0.0024176000000000, -0.0011104600000000, -0.0013146500000000 ]  - [   0.0013577100000000,  0.0001059800000000, -0.0003982900000000 ]  - [   0.0024176000000000,  0.0011104600000000, -0.0013146500000000 ]  - [   0.0013577100000000, -0.0001059800000000, -0.0003982900000000 ]  - [   0.0020166600000000,  0.0000000000000000, -0.0005268300000000 ]  - [   0.0016276500000000,  0.0000000000000000, -0.0004966300000000 ]  - [   0.0019194700000000, -0.0000293600000000, -0.0004332300000000 ]  - [   0.0017355000000000,  0.0000236400000000, -0.0005224800000000 ]  - [   0.0019194700000000,  0.0000293600000000, -0.0004332300000000 ]  - [   0.0017355000000000, -0.0000236400000000, -0.0005224800000000 ]  - [   0.0018917900000000,  0.0000000000000000, -0.0004622500000000 ]  - [   0.0017761800000000,  0.0000000000000000, -0.0005025100000000 ]  - [   0.0032410500000000,  0.0000000000000000, -0.0029213600000000 ]  - [   0.0005492600000000,  0.0000000000000000, -0.0010961300000000 ]  - [   0.0013508800000000, -0.0001472600000000, -0.0008183900000000 ]  - [   0.0007699400000000,  0.0000396500000000, -0.0010207300000000 ]  - [   0.0013508800000000,  0.0001472600000000, -0.0008183900000000 ]  - [   0.0007699400000000, -0.0000396500000000, -0.0010207300000000 ]  - [   0.0012153200000000,  0.0000000000000000, -0.0012894700000000 ]  - [   0.0008307700000000,  0.0000000000000000, -0.0009596700000000 ]  - [   0.0010718700000000, -0.0000116300000000, -0.0009789600000000 ]  - [   0.0008835400000000,  0.0000208500000000, -0.0009672400000000 ]  - [   0.0010718700000000,  0.0000116300000000, -0.0009789600000000 ]  - [   0.0008835400000000, -0.0000208500000000, -0.0009672400000000 ]  - [  -0.0009821500000000,  0.0001810100000000,  0.0014226200000000 ]  - [  -0.0011526800000000, -0.0001422100000000,  0.0006948700000000 ]  - [  -0.0009821500000000, -0.0001810100000000,  0.0014226200000000 ]  - [  -0.0011526800000000,  0.0001422100000000,  0.0006948700000000 ]  - [  -0.0009015600000000,  0.0000000000000000,  0.0010925300000000 ]  - [  -0.0010142500000000,  0.0000000000000000,  0.0008856500000000 ]  - [  -0.0010013900000000,  0.0003206600000000,  0.0005385200000000 ]  - [  -0.0010414000000000, -0.0000411400000000,  0.0012383600000000 ]  - [  -0.0010013900000000, -0.0003206600000000,  0.0005385200000000 ]  - [  -0.0010414000000000,  0.0000411400000000,  0.0012383600000000 ]  - [  -0.0009363100000000,  0.0000000000000000,  0.0009522200000000 ]  - [  -0.0010098300000000,  0.0000000000000000,  0.0010550100000000 ]  - [  -0.0008538900000000,  0.0000000000000000,  0.0009213800000000 ]  - [   0.0082484200000000,  0.0000000000000000,  0.0008935900000000 ]  - [   0.0006449600000000, -0.0003441400000000,  0.0009269900000000 ]  - [   0.0009674200000000,  0.0003893200000000,  0.0009188300000000 ]  - [   0.0006449600000000,  0.0003441400000000,  0.0009269900000000 ]  - [   0.0009674200000000, -0.0003893200000000,  0.0009188300000000 ]  - [   0.0009535500000000,  0.0000000000000000,  0.0010095900000000 ]  - [   0.0010076900000000,  0.0000000000000000,  0.0009869500000000 ]  - [   0.0009545900000000, -0.0000090400000000,  0.0010002300000000 ]  - [   0.0009987700000000,  0.0000110100000000,  0.0009957100000000 ]  - [   0.0009545900000000,  0.0000090400000000,  0.0010002300000000 ]  - [   0.0009987700000000, -0.0000110100000000,  0.0009957100000000 ]  - [  -0.0009004800000000, -0.0000240300000000, -0.0010033800000000 ]  - [  -0.0010608800000000,  0.0000178700000000, -0.0009598100000000 ]  - [  -0.0009004800000000,  0.0000240300000000, -0.0010033800000000 ]  - [  -0.0010608800000000, -0.0000178700000000, -0.0009598100000000 ]  - [  -0.0009218600000000,  0.0000000000000000, -0.0009796500000000 ]  - [  -0.0010353700000000,  0.0000000000000000, -0.0009712900000000 ]  - [   0.0010464500000000,  0.0016804000000000, -0.0019389700000000 ]  - [  -0.0014123100000000,  0.0000294200000000, -0.0009706000000000 ]  - [   0.0010464500000000, -0.0016804000000000, -0.0019389700000000 ]  - [  -0.0014123100000000, -0.0000294200000000, -0.0009706000000000 ]  - [  -0.0008337500000000,  0.0000000000000000, -0.0009891700000000 ]  - [  -0.0011609500000000,  0.0000000000000000, -0.0010238200000000 ]  - [  -0.0203292200000000,  0.0000000000000000,  0.0035945300000000 ]  - [   0.0019648500000000,  0.0000000000000000, -0.0005608700000000 ]  - [  -0.0007727300000000,  0.0000263100000000, -0.0001176400000000 ]  - [   0.0011542000000000, -0.0000647500000000, -0.0004853300000000 ]  - [  -0.0007727300000000, -0.0000263100000000, -0.0001176400000000 ]  - [   0.0011542000000000,  0.0000647500000000, -0.0004853300000000 ]  - [   0.0003711800000000,  0.0000000000000000, -0.0004711700000000 ]  - [   0.0007570500000000,  0.0000000000000000, -0.0005168500000000 ]  - [   0.0004419400000000, -0.0000022900000000, -0.0005302700000000 ]  - [   0.0007060000000000, -0.0000015800000000, -0.0005079600000000 ]  - [   0.0004419400000000,  0.0000022900000000, -0.0005302700000000 ]  - [   0.0007060000000000,  0.0000015800000000, -0.0005079600000000 ]  - [  -0.0005428500000000, -0.0000455200000000,  0.0003025700000000 ]  - [  -0.0006006200000000,  0.0000495900000000,  0.0006627700000000 ]  - [  -0.0005428500000000,  0.0000455200000000,  0.0003025700000000 ]  - [  -0.0006006200000000, -0.0000495900000000,  0.0006627700000000 ]  - [  -0.0005542300000000,  0.0000000000000000,  0.0003989800000000 ]  - [  -0.0005973100000000,  0.0000000000000000,  0.0005578900000000 ]  - [   0.0006333100000000, -0.0010299900000000,  0.0014328200000000 ]  - [   0.0002305600000000,  0.0017253000000000, -0.0007500000000000 ]  - [   0.0006333100000000,  0.0010299900000000,  0.0014328200000000 ]  - [   0.0002305600000000, -0.0017253000000000, -0.0007500000000000 ]  - [  -0.0006159300000000,  0.0000000000000000,  0.0006425100000000 ]  - [  -0.0005639500000000,  0.0000000000000000,  0.0003942900000000 ]  - [   0.0018159400000000,  0.0000000000000000, -0.0010039900000000 ]  - [   0.0018189400000000,  0.0000000000000000,  0.0026678800000000 ]  - [   0.0009263200000000,  0.0005961500000000, -0.0000493900000000 ]  - [   0.0009275300000000, -0.0005556600000000,  0.0006913200000000 ]  - [   0.0009263200000000, -0.0005961500000000, -0.0000493900000000 ]  - [   0.0009275300000000,  0.0005556600000000,  0.0006913200000000 ]  - [   0.0006672200000000,  0.0000000000000000,  0.0008364300000000 ]  - [   0.0006681400000000,  0.0000000000000000,  0.0001585100000000 ]  - [   0.0005825200000000,  0.0001331000000000,  0.0006259400000000 ]  - [   0.0005834300000000, -0.0000765800000000,  0.0003423100000000 ]  - [   0.0005825200000000, -0.0001331000000000,  0.0006259400000000 ]  - [   0.0005834300000000,  0.0000765800000000,  0.0003423100000000 ]  - [  -0.0015208200000000, -0.0004562000000000, -0.0003922100000000 ]  - [  -0.0001055800000000,  0.0000251400000000, -0.0004801600000000 ]  - [  -0.0015208200000000,  0.0004562000000000, -0.0003922100000000 ]  - [  -0.0001055800000000, -0.0000251400000000, -0.0004801600000000 ]  - [  -0.0008358500000000,  0.0000000000000000, -0.0005337100000000 ]  - [  -0.0002977400000000,  0.0000000000000000, -0.0004993700000000 ]  - [  -0.0015231500000000, -0.0003757900000000, -0.0009125900000000 ]  - [  -0.0001056500000000, -0.0000012100000000, -0.0004899400000000 ]  - [  -0.0015231500000000,  0.0003757900000000, -0.0009125900000000 ]  - [  -0.0001056500000000,  0.0000012100000000, -0.0004899400000000 ]  - [  -0.0008358500000000,  0.0000000000000000, -0.0004800200000000 ]  - [  -0.0002977900000000,  0.0000000000000000, -0.0005512700000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0019372200000000,  0.0000000000000000, -0.0006855500000000 ]  - [  -0.0016965200000000,  0.0000000000000000, -0.0003875800000000 ]  - [  -0.0019102000000000,  0.0000111300000000, -0.0005544300000000 ]  - [  -0.0017541600000000, -0.0000227100000000, -0.0004488300000000 ]  - [  -0.0019102000000000, -0.0000111300000000, -0.0005544300000000 ]  - [  -0.0017541600000000,  0.0000227100000000, -0.0004488300000000 ]  - [  -0.0045814800000000,  0.0000000000000000, -0.0028327200000000 ]  - [  -0.0010035600000000,  0.0000000000000000, -0.0009881900000000 ]  - [  -0.0022216500000000,  0.0001761500000000, -0.0003475800000000 ]  - [  -0.0015987100000000, -0.0001421900000000, -0.0005282600000000 ]  - [  -0.0022216500000000, -0.0001761500000000, -0.0003475800000000 ]  - [  -0.0015987100000000,  0.0001421900000000, -0.0005282600000000 ]  - [  -0.0004313300000000,  0.0005876200000000,  0.0008586000000000 ]  - [   0.0025697600000000,  0.0005642600000000,  0.0006682600000000 ]  - [  -0.0004313300000000, -0.0005876200000000,  0.0008586000000000 ]  - [   0.0025697600000000, -0.0005642600000000,  0.0006682600000000 ]  - [   0.0016742800000000,  0.0000000000000000,  0.0005281000000000 ]  - [   0.0019853100000000,  0.0000000000000000,  0.0004958500000000 ]  - [   0.0017629800000000, -0.0000203100000000,  0.0005034000000000 ]  - [   0.0019039600000000,  0.0000174300000000,  0.0004652000000000 ]  - [   0.0017629800000000,  0.0000203100000000,  0.0005034000000000 ]  - [   0.0019039600000000, -0.0000174300000000,  0.0004652000000000 ]  - [   0.0017833000000000,  0.0000000000000000,  0.0004925400000000 ]  - [   0.0018845200000000,  0.0000000000000000,  0.0004816000000000 ]  - [  -0.0016237400000000,  0.0000000000000000,  0.0003859200000000 ]  - [  -0.0021800000000000,  0.0000000000000000,  0.0007860900000000 ]  - [  -0.0017049800000000,  0.0000084800000000,  0.0004238000000000 ]  - [  -0.0019590700000000, -0.0000880400000000,  0.0006358200000000 ]  - [  -0.0017049800000000, -0.0000084800000000,  0.0004238000000000 ]  - [  -0.0019590700000000,  0.0000880400000000,  0.0006358200000000 ]  - [  -0.0014095200000000,  0.0000000000000000,  0.0006953900000000 ]  - [  -0.0019474400000000,  0.0000000000000000, -0.0004110200000000 ]  - [  -0.0016708600000000,  0.0001173300000000,  0.0005893400000000 ]  - [  -0.0019237400000000, -0.0002045900000000,  0.0002829300000000 ]  - [  -0.0016708600000000, -0.0001173300000000,  0.0005893400000000 ]  - [  -0.0019237400000000,  0.0002045900000000,  0.0002829300000000 ]  - [   0.0012401800000000,  0.0011000500000000,  0.0003147000000000 ]  - [   0.0023149800000000, -0.0001053100000000, -0.0005922500000000 ]  - [   0.0012401800000000, -0.0011000500000000,  0.0003147000000000 ]  - [   0.0023149800000000,  0.0001053100000000, -0.0005922500000000 ]  - [   0.0016548700000000,  0.0000000000000000, -0.0004647300000000 ]  - [   0.0020449400000000,  0.0000000000000000, -0.0004945800000000 ]  - [   0.0017522500000000,  0.0000294600000000, -0.0005580400000000 ]  - [   0.0019370000000000, -0.0000234500000000, -0.0004688300000000 ]  - [   0.0017522500000000, -0.0000294600000000, -0.0005580400000000 ]  - [   0.0019370000000000,  0.0000234500000000, -0.0004688300000000 ]  - [   0.0017805200000000,  0.0000000000000000, -0.0005292000000000 ]  - [   0.0018966700000000,  0.0000000000000000, -0.0004890100000000 ]  - [  -0.0013028200000000,  0.0000000000000000,  0.0009330900000000 ]  - [   0.0014008700000000,  0.0000000000000000, -0.0008784300000000 ]  - [   0.0005997400000000,  0.0001471800000000, -0.0011575100000000 ]  - [   0.0011795600000000, -0.0000401000000000, -0.0009551600000000 ]  - [   0.0005997400000000, -0.0001471800000000, -0.0011575100000000 ]  - [   0.0011795600000000,  0.0000401000000000, -0.0009551600000000 ]  - [   0.0007352000000000,  0.0000000000000000, -0.0006877200000000 ]  - [   0.0011191600000000,  0.0000000000000000, -0.0010170000000000 ]  - [   0.0008775700000000,  0.0000120000000000, -0.0009975500000000 ]  - [   0.0010660900000000, -0.0000207200000000, -0.0010094100000000 ]  - [   0.0008775700000000, -0.0000120000000000, -0.0009975500000000 ]  - [   0.0010660900000000,  0.0000207200000000, -0.0010094100000000 ]  - [  -0.0009657100000000, -0.0001825200000000,  0.0005540300000000 ]  - [  -0.0007975500000000,  0.0001426400000000,  0.0012821700000000 ]  - [  -0.0009657100000000,  0.0001825200000000,  0.0005540300000000 ]  - [  -0.0007975500000000, -0.0001426400000000,  0.0012821700000000 ]  - [  -0.0010474000000000,  0.0000000000000000,  0.0008839000000000 ]  - [  -0.0009357800000000,  0.0000000000000000,  0.0010909600000000 ]  - [  -0.0009479200000000, -0.0003195400000000,  0.0014368600000000 ]  - [  -0.0009085700000000,  0.0000414000000000,  0.0007374000000000 ]  - [  -0.0009479200000000,  0.0003195400000000,  0.0014368600000000 ]  - [  -0.0009085700000000, -0.0000414000000000,  0.0007374000000000 ]  - [  -0.0010135100000000,  0.0000000000000000,  0.0010240400000000 ]  - [  -0.0009403300000000,  0.0000000000000000,  0.0009214300000000 ]  - [   0.0027956200000000,  0.0000000000000000,  0.0010549700000000 ]  - [  -0.0066364700000000,  0.0000000000000000,  0.0011157000000000 ]  - [   0.0013080300000000,  0.0003429800000000,  0.0010500400000000 ]  - [   0.0009834700000000, -0.0003894300000000,  0.0010577800000000 ]  - [   0.0013080300000000, -0.0003429800000000,  0.0010500400000000 ]  - [   0.0009834700000000,  0.0003894300000000,  0.0010577800000000 ]  - [   0.0010001100000000,  0.0000000000000000,  0.0009672500000000 ]  - [   0.0009452700000000,  0.0000000000000000,  0.0009893300000000 ]  - [   0.0009989800000000,  0.0000091200000000,  0.0009770800000000 ]  - [   0.0009544000000000, -0.0000107700000000,  0.0009811800000000 ]  - [   0.0009989800000000, -0.0000091200000000,  0.0009770800000000 ]  - [   0.0009544000000000,  0.0000107700000000,  0.0009811800000000 ]  - [  -0.0010530800000000,  0.0000242000000000, -0.0009740300000000 ]  - [  -0.0008927400000000, -0.0000177500000000, -0.0010167900000000 ]  - [  -0.0010530800000000, -0.0000242000000000, -0.0009740300000000 ]  - [  -0.0008927400000000,  0.0000177500000000, -0.0010167900000000 ]  - [  -0.0010319400000000,  0.0000000000000000, -0.0009977400000000 ]  - [  -0.0009184200000000,  0.0000000000000000, -0.0010053300000000 ]  - [  -0.0029922000000000, -0.0016921500000000, -0.0000272100000000 ]  - [  -0.0005413400000000, -0.0000284400000000, -0.0010075400000000 ]  - [  -0.0029922000000000,  0.0016921500000000, -0.0000272100000000 ]  - [  -0.0005413400000000,  0.0000284400000000, -0.0010075400000000 ]  - [  -0.0011202200000000,  0.0000000000000000, -0.0009867900000000 ]  - [  -0.0007923300000000,  0.0000000000000000, -0.0009533200000000 ]  - [   0.0217030300000000,  0.0000000000000000, -0.0046635800000000 ]  - [  -0.0008252200000000,  0.0000000000000000, -0.0004334500000000 ]  - [   0.0019109500000000, -0.0000321600000000, -0.0008737000000000 ]  - [  -0.0000131900000000,  0.0000661700000000, -0.0005087700000000 ]  - [   0.0019109500000000,  0.0000321600000000, -0.0008737000000000 ]  - [  -0.0000131900000000, -0.0000661700000000, -0.0005087700000000 ]  - [   0.0007703700000000,  0.0000000000000000, -0.0005227000000000 ]  - [   0.0003842400000000,  0.0000000000000000, -0.0004775200000000 ]  - [   0.0006995200000000,  0.0000024800000000, -0.0004636900000000 ]  - [   0.0004358200000000,  0.0000013600000000, -0.0004862100000000 ]  - [   0.0006995200000000, -0.0000024800000000, -0.0004636900000000 ]  - [   0.0004358200000000, -0.0000013600000000, -0.0004862100000000 ]  - [  -0.0005996900000000,  0.0000455000000000,  0.0006917900000000 ]  - [  -0.0005401900000000, -0.0000500700000000,  0.0003309700000000 ]  - [  -0.0005996900000000, -0.0000455000000000,  0.0006917900000000 ]  - [  -0.0005401900000000,  0.0000500700000000,  0.0003309700000000 ]  - [  -0.0005883300000000,  0.0000000000000000,  0.0005949000000000 ]  - [  -0.0005437800000000,  0.0000000000000000,  0.0004364100000000 ]  - [  -0.0017770000000000,  0.0010282100000000, -0.0004369100000000 ]  - [  -0.0013664200000000, -0.0017368600000000,  0.0017518200000000 ]  - [  -0.0017770000000000, -0.0010282100000000, -0.0004369100000000 ]  - [  -0.0013664200000000,  0.0017368600000000,  0.0017518200000000 ]  - [  -0.0005272200000000,  0.0000000000000000,  0.0003519400000000 ]  - [  -0.0005760900000000,  0.0000000000000000,  0.0005999200000000 ]  - [  -0.0006775700000000,  0.0000000000000000,  0.0019898800000000 ]  - [  -0.0006745800000000,  0.0000000000000000, -0.0016834400000000 ]  - [   0.0002148800000000, -0.0005948500000000,  0.0010420100000000 ]  - [   0.0002160700000000,  0.0005556100000000,  0.0003028100000000 ]  - [   0.0002148800000000,  0.0005948500000000,  0.0010420100000000 ]  - [   0.0002160700000000, -0.0005556100000000,  0.0003028100000000 ]  - [   0.0004738400000000,  0.0000000000000000,  0.0001585000000000 ]  - [   0.0004746200000000,  0.0000000000000000,  0.0008354600000000 ]  - [   0.0005580300000000, -0.0001326100000000,  0.0003683800000000 ]  - [   0.0005589000000000,  0.0000769500000000,  0.0006518000000000 ]  - [   0.0005580300000000,  0.0001326100000000,  0.0003683800000000 ]  - [   0.0005589000000000, -0.0000769500000000,  0.0006518000000000 ]  - [   0.0003814600000000,  0.0004604900000000, -0.0005972500000000 ]  - [  -0.0010360200000000, -0.0000260600000000, -0.0005145200000000 ]  - [   0.0003814600000000, -0.0004604900000000, -0.0005972500000000 ]  - [  -0.0010360200000000,  0.0000260600000000, -0.0005145200000000 ]  - [  -0.0003057600000000,  0.0000000000000000, -0.0004597700000000 ]  - [  -0.0008432000000000,  0.0000000000000000, -0.0004947700000000 ]  - [   0.0003791600000000,  0.0003759300000000, -0.0000872000000000 ]  - [  -0.0010360300000000,  0.0000006200000000, -0.0005029400000000 ]  - [   0.0003791600000000, -0.0003759300000000, -0.0000872000000000 ]  - [  -0.0010360300000000, -0.0000006200000000, -0.0005029400000000 ]  - [  -0.0003056800000000,  0.0000000000000000, -0.0005140700000000 ]  - [  -0.0008434600000000,  0.0000000000000000, -0.0004420800000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0018359100000000,  0.0001595700000000, -0.0004956300000000 ]  - [  -0.0018359800000000,  0.0000707700000000, -0.0004947700000000 ]  - [  -0.0018601300000000, -0.0000833800000000, -0.0004298100000000 ]  - [  -0.0018283800000000, -0.0000352100000000, -0.0004709800000000 ]  - [  -0.0018117300000000, -0.0000839300000000, -0.0005597800000000 ]  - [  -0.0018435500000000, -0.0000355300000000, -0.0005185400000000 ]  - [  -0.0018388700000000,  0.0018651400000000, -0.0005012400000000 ]  - [  -0.0018368800000000,  0.0003318500000000, -0.0004943100000000 ]  - [  -0.0022258100000000, -0.0006295100000000, -0.0008753300000000 ]  - [  -0.0017381400000000, -0.0001685600000000, -0.0005524200000000 ]  - [  -0.0014485800000000, -0.0006282000000000, -0.0001160900000000 ]  - [  -0.0019335300000000, -0.0001690900000000, -0.0004377200000000 ]  - [   0.0009745400000000,  0.0022175300000000,  0.0008036900000000 ]  - [   0.0016849800000000,  0.0001449400000000,  0.0004150200000000 ]  - [   0.0027818300000000,  0.0023042400000000,  0.0001624100000000 ]  - [   0.0019857900000000,  0.0001473500000000,  0.0005747000000000 ]  - [   0.0018353200000000, -0.0006955100000000,  0.0004949100000000 ]  - [   0.0018360800000000, -0.0002627600000000,  0.0004951200000000 ]  - [   0.0018684800000000,  0.0000459900000000,  0.0005458400000000 ]  - [   0.0018137800000000,  0.0000336900000000,  0.0005131900000000 ]  - [   0.0018031200000000,  0.0000461200000000,  0.0004439700000000 ]  - [   0.0018581800000000,  0.0000339700000000,  0.0004764500000000 ]  - [   0.0018358500000000, -0.0000905000000000,  0.0004950700000000 ]  - [   0.0018361200000000, -0.0000677600000000,  0.0004949200000000 ]  - [  -0.0018360800000000,  0.0000874100000000,  0.0004945300000000 ]  - [  -0.0018367100000000,  0.0003092400000000,  0.0004942300000000 ]  - [  -0.0018809200000000, -0.0000409400000000,  0.0005682600000000 ]  - [  -0.0017863300000000, -0.0001796000000000,  0.0006827700000000 ]  - [  -0.0017918800000000, -0.0000414400000000,  0.0004218500000000 ]  - [  -0.0018867000000000, -0.0001796800000000,  0.0003082400000000 ]  - [  -0.0018358700000000,  0.0002676300000000,  0.0004953200000000 ]  - [  -0.0018376100000000,  0.0008343600000000,  0.0004975700000000 ]  - [  -0.0019115700000000, -0.0001361900000000,  0.0004310000000000 ]  - [  -0.0015665100000000, -0.0005301900000000,  0.0000553100000000 ]  - [  -0.0017612700000000, -0.0001370000000000,  0.0005588000000000 ]  - [  -0.0021040500000000, -0.0005285700000000,  0.0009320700000000 ]  - [   0.0009199900000000, -0.0001630000000000, -0.0014796100000000 ]  - [   0.0020598500000000,  0.0001356300000000, -0.0005927700000000 ]  - [   0.0027424500000000, -0.0001409700000000,  0.0004780800000000 ]  - [   0.0016118500000000,  0.0001372800000000, -0.0003965400000000 ]  - [   0.0018364800000000, -0.0005614000000000, -0.0004945100000000 ]  - [   0.0018360900000000, -0.0002559300000000, -0.0004950500000000 ]  - [   0.0017608800000000,  0.0000647900000000, -0.0003836600000000 ]  - [   0.0018575300000000,  0.0000348300000000, -0.0004600800000000 ]  - [   0.0019117300000000,  0.0000649600000000, -0.0006068300000000 ]  - [   0.0018149700000000,  0.0000348600000000, -0.0005292200000000 ]  - [   0.0018364500000000, -0.0001344400000000, -0.0004955200000000 ]  - [   0.0018365700000000, -0.0000699700000000, -0.0004950000000000 ]  - [   0.0009716700000000,  0.0014997400000000, -0.0009822200000000 ]  - [   0.0009739300000000,  0.0000976600000000, -0.0009882500000000 ]  - [   0.0009773800000000, -0.0004903500000000, -0.0004396100000000 ]  - [   0.0010072000000000, -0.0000457300000000, -0.0009339900000000 ]  - [   0.0009717100000000, -0.0004888700000000, -0.0015338800000000 ]  - [   0.0009417100000000, -0.0000461900000000, -0.0010422300000000 ]  - [   0.0009741000000000,  0.0002547000000000, -0.0009872200000000 ]  - [   0.0009749400000000,  0.0000775400000000, -0.0009879700000000 ]  - [   0.0009356900000000, -0.0001458000000000, -0.0011187200000000 ]  - [   0.0009922000000000, -0.0000379700000000, -0.0010099000000000 ]  - [   0.0010122000000000, -0.0001462400000000, -0.0008588500000000 ]  - [   0.0009572400000000, -0.0000387100000000, -0.0009663900000000 ]  - [  -0.0008753700000000,  0.0001322300000000,  0.0006837600000000 ]  - [  -0.0011473200000000,  0.0000700200000000,  0.0008228100000000 ]  - [  -0.0010732600000000,  0.0001351500000000,  0.0012932100000000 ]  - [  -0.0008012300000000,  0.0000716100000000,  0.0011538700000000 ]  - [  -0.0009744100000000, -0.0002116700000000,  0.0009884800000000 ]  - [  -0.0009743600000000, -0.0001202000000000,  0.0009885400000000 ]  - [  -0.0008546300000000,  0.0000977100000000,  0.0011620900000000 ]  - [  -0.0010319900000000,  0.0000610200000000,  0.0011370300000000 ]  - [  -0.0010941400000000,  0.0000996400000000,  0.0008158300000000 ]  - [  -0.0009161100000000,  0.0000612400000000,  0.0008402900000000 ]  - [  -0.0009752100000000, -0.0001681100000000,  0.0009879400000000 ]  - [  -0.0009742800000000, -0.0001310600000000,  0.0009883700000000 ]  - [   0.0009790400000000,  0.0007055000000000,  0.0009886100000000 ]  - [   0.0009812400000000,  0.0015682200000000,  0.0009889100000000 ]  - [   0.0005846900000000, -0.0004150300000000,  0.0008787700000000 ]  - [   0.0014855300000000, -0.0005696200000000,  0.0010582500000000 ]  - [   0.0013660700000000, -0.0004132100000000,  0.0010973100000000 ]  - [   0.0004700000000000, -0.0005685200000000,  0.0009197100000000 ]  - [   0.0009762600000000,  0.0000478000000000,  0.0009884000000000 ]  - [   0.0009762900000000,  0.0000874700000000,  0.0009879700000000 ]  - [   0.0009706300000000, -0.0000240400000000,  0.0009909200000000 ]  - [   0.0009972500000000, -0.0000437000000000,  0.0009657200000000 ]  - [   0.0009821300000000, -0.0000242600000000,  0.0009867700000000 ]  - [   0.0009555600000000, -0.0000441300000000,  0.0010110500000000 ]  - [  -0.0009771200000000,  0.0000344900000000, -0.0010389300000000 ]  - [  -0.0009651200000000,  0.0000253200000000, -0.0010107700000000 ]  - [  -0.0009754100000000,  0.0000346000000000, -0.0009387300000000 ]  - [  -0.0009879000000000,  0.0000256600000000, -0.0009659500000000 ]  - [  -0.0009765200000000, -0.0000730100000000, -0.0009887400000000 ]  - [  -0.0009765900000000, -0.0000507300000000, -0.0009882400000000 ]  - [   0.0004177100000000,  0.0061839100000000, -0.0036597800000000 ]  - [  -0.0009255900000000,  0.0000729700000000, -0.0010168300000000 ]  - [  -0.0024407800000000,  0.0063548300000000,  0.0018187600000000 ]  - [  -0.0010274400000000,  0.0000732200000000, -0.0009611700000000 ]  - [  -0.0009762400000000, -0.0005870600000000, -0.0009883900000000 ]  - [  -0.0009763300000000, -0.0001491100000000, -0.0009886500000000 ]  - [   0.0005709600000000, -0.0216241800000000, -0.0006114700000000 ]  - [   0.0005706500000000, -0.0003370400000000, -0.0004972000000000 ]  - [   0.0005411700000000,  0.0026218800000000, -0.0008114400000000 ]  - [   0.0006362400000000,  0.0001674300000000, -0.0005256800000000 ]  - [   0.0005998300000000,  0.0026185500000000, -0.0001833200000000 ]  - [   0.0005053800000000,  0.0001685700000000, -0.0004686900000000 ]  - [   0.0005707400000000, -0.0001935600000000, -0.0004971500000000 ]  - [   0.0005704700000000, -0.0000881200000000, -0.0004975000000000 ]  - [   0.0005729400000000,  0.0000988900000000, -0.0004424300000000 ]  - [   0.0005719500000000,  0.0000433000000000, -0.0004894600000000 ]  - [   0.0005682700000000,  0.0000990000000000, -0.0005516900000000 ]  - [   0.0005692600000000,  0.0000439100000000, -0.0005053700000000 ]  - [  -0.0006162200000000, -0.0000683600000000,  0.0006067400000000 ]  - [  -0.0005208700000000, -0.0000631200000000,  0.0005394800000000 ]  - [  -0.0005251200000000, -0.0000688900000000,  0.0003881900000000 ]  - [  -0.0006202400000000, -0.0000633700000000,  0.0004556300000000 ]  - [  -0.0005707500000000,  0.0001388400000000,  0.0004970200000000 ]  - [  -0.0005706200000000,  0.0001236200000000,  0.0004973300000000 ]  - [  -0.0016010400000000, -0.0002558400000000, -0.0005479600000000 ]  - [   0.0011581800000000, -0.0004567700000000,  0.0003554100000000 ]  - [   0.0004574000000000, -0.0002636100000000,  0.0015461900000000 ]  - [  -0.0023038400000000, -0.0004648100000000,  0.0006354900000000 ]  - [  -0.0005699800000000,  0.0006453300000000,  0.0004979300000000 ]  - [  -0.0005716000000000,  0.0006579600000000,  0.0004976400000000 ]  - [   0.0005671200000000, -0.0010952200000000,  0.0004982700000000 ]  - [   0.0005728200000000, -0.0010951800000000,  0.0005013400000000 ]  - [   0.0011271000000000,  0.0007606200000000, -0.0001511700000000 ]  - [  -0.0000255300000000,  0.0007597000000000,  0.0001753000000000 ]  - [   0.0000159400000000,  0.0007588500000000,  0.0011428900000000 ]  - [   0.0011653300000000,  0.0007597000000000,  0.0008182700000000 ]  - [   0.0005704000000000, -0.0002660100000000,  0.0004965400000000 ]  - [   0.0005707700000000, -0.0002660900000000,  0.0004966400000000 ]  - [   0.0006473300000000,  0.0001242500000000,  0.0005909500000000 ]  - [   0.0004371400000000,  0.0001244600000000,  0.0006732100000000 ]  - [   0.0004938200000000,  0.0001249400000000,  0.0004036100000000 ]  - [   0.0007028600000000,  0.0001249200000000,  0.0003225100000000 ]  - [  -0.0009453500000000, -0.0003830400000000,  0.0003056000000000 ]  - [  -0.0005713100000000, -0.0000988400000000, -0.0004228500000000 ]  - [  -0.0001938000000000, -0.0003890700000000, -0.0012989800000000 ]  - [  -0.0005694400000000, -0.0000996400000000, -0.0005715000000000 ]  - [  -0.0005707000000000,  0.0005424300000000, -0.0004979800000000 ]  - [  -0.0005702900000000,  0.0002000000000000, -0.0004973700000000 ]  - [  -0.0010265900000000, -0.0003829700000000, -0.0023682700000000 ]  - [  -0.0005450500000000, -0.0000989700000000, -0.0006084000000000 ]  - [  -0.0001098800000000, -0.0003891000000000,  0.0013776200000000 ]  - [  -0.0005960900000000, -0.0000995600000000, -0.0003863900000000 ]  - [  -0.0005700400000000,  0.0005423900000000, -0.0004963100000000 ]  - [  -0.0005706200000000,  0.0001999600000000, -0.0004971300000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0016458700000000,  0.0000000000000000, -0.0012749700000000 ]  - [  -0.0018803800000000,  0.0000000000000000, -0.0006371500000000 ]  - [  -0.0017492900000000,  0.0001640800000000, -0.0006931900000000 ]  - [  -0.0018819400000000,  0.0000271700000000, -0.0006021900000000 ]  - [  -0.0017492900000000, -0.0001640800000000, -0.0006931900000000 ]  - [  -0.0018819400000000, -0.0000271700000000, -0.0006021900000000 ]  - [   0.0000842200000000,  0.0000000000000000,  0.0048548600000000 ]  - [  -0.0016973800000000,  0.0000000000000000, -0.0004393100000000 ]  - [  -0.0020906800000000, -0.0003810000000000, -0.0003895000000000 ]  - [  -0.0017553300000000, -0.0000998000000000, -0.0004318400000000 ]  - [  -0.0020906800000000,  0.0003810000000000, -0.0003895000000000 ]  - [  -0.0017553300000000,  0.0000998000000000, -0.0004318400000000 ]  - [   0.0016673300000000,  0.0000188500000000,  0.0022748200000000 ]  - [   0.0018139800000000,  0.0000117200000000,  0.0008491400000000 ]  - [   0.0016673300000000, -0.0000188500000000,  0.0022748200000000 ]  - [   0.0018139800000000, -0.0000117200000000,  0.0008491400000000 ]  - [   0.0018194900000000,  0.0000000000000000,  0.0007004900000000 ]  - [   0.0018201800000000,  0.0000000000000000,  0.0006966400000000 ]  - [   0.0018199900000000,  0.0000143100000000,  0.0001885400000000 ]  - [   0.0018611000000000,  0.0000222900000000,  0.0003229200000000 ]  - [   0.0018199900000000, -0.0000143100000000,  0.0001885400000000 ]  - [   0.0018611000000000, -0.0000222900000000,  0.0003229200000000 ]  - [   0.0018289400000000,  0.0000000000000000,  0.0003042000000000 ]  - [   0.0018408500000000,  0.0000000000000000,  0.0003638500000000 ]  - [  -0.0016627500000000,  0.0000000000000000,  0.0002837600000000 ]  - [  -0.0024333100000000,  0.0000000000000000, -0.0001578800000000 ]  - [  -0.0017803800000000,  0.0000757400000000,  0.0004302200000000 ]  - [  -0.0019582000000000,  0.0002412200000000,  0.0003224800000000 ]  - [  -0.0017803800000000, -0.0000757400000000,  0.0004302200000000 ]  - [  -0.0019582000000000, -0.0002412200000000,  0.0003224800000000 ]  - [  -0.0022200500000000,  0.0000000000000000,  0.0004413800000000 ]  - [  -0.0008778600000000,  0.0000000000000000, -0.0006465400000000 ]  - [  -0.0019057300000000, -0.0000842500000000,  0.0004912900000000 ]  - [  -0.0015943400000000, -0.0003730500000000,  0.0002724000000000 ]  - [  -0.0019057300000000,  0.0000842500000000,  0.0004912900000000 ]  - [  -0.0015943400000000,  0.0003730500000000,  0.0002724000000000 ]  - [   0.0008617000000000, -0.0014069000000000, -0.0000541600000000 ]  - [   0.0020016600000000, -0.0001621900000000, -0.0002916600000000 ]  - [   0.0008617000000000,  0.0014069000000000, -0.0000541600000000 ]  - [   0.0020016600000000,  0.0001621900000000, -0.0002916600000000 ]  - [   0.0019108000000000,  0.0000000000000000, -0.0002691800000000 ]  - [   0.0018536500000000,  0.0000000000000000, -0.0003619300000000 ]  - [   0.0019202600000000,  0.0000491400000000, -0.0008350600000000 ]  - [   0.0017759400000000,  0.0000347500000000, -0.0006577900000000 ]  - [   0.0019202600000000, -0.0000491400000000, -0.0008350600000000 ]  - [   0.0017759400000000, -0.0000347500000000, -0.0006577900000000 ]  - [   0.0018606200000000,  0.0000000000000000, -0.0006736400000000 ]  - [   0.0018081500000000,  0.0000000000000000, -0.0006065200000000 ]  - [  -0.0017616700000000,  0.0000000000000000,  0.0077239200000000 ]  - [   0.0010077400000000,  0.0000000000000000, -0.0008901500000000 ]  - [   0.0011304200000000,  0.0004201800000000, -0.0007773000000000 ]  - [   0.0009452300000000,  0.0000182100000000, -0.0009019800000000 ]  - [   0.0011304200000000, -0.0004201800000000, -0.0007773000000000 ]  - [   0.0009452300000000, -0.0000182100000000, -0.0009019800000000 ]  - [   0.0009804600000000,  0.0000000000000000, -0.0017463800000000 ]  - [   0.0009923400000000,  0.0000000000000000, -0.0010982500000000 ]  - [   0.0009125100000000, -0.0001140900000000, -0.0012310000000000 ]  - [   0.0009768700000000, -0.0000221800000000, -0.0010832100000000 ]  - [   0.0009125100000000,  0.0001140900000000, -0.0012310000000000 ]  - [   0.0009768700000000,  0.0000221800000000, -0.0010832100000000 ]  - [  -0.0004418600000000, -0.0006141700000000,  0.0007135700000000 ]  - [  -0.0012218000000000, -0.0000620500000000,  0.0008396300000000 ]  - [  -0.0004418600000000,  0.0006141700000000,  0.0007135700000000 ]  - [  -0.0012218000000000,  0.0000620500000000,  0.0008396300000000 ]  - [  -0.0009319400000000,  0.0000000000000000,  0.0009741500000000 ]  - [  -0.0010497100000000,  0.0000000000000000,  0.0009436400000000 ]  - [  -0.0012966300000000,  0.0004505200000000,  0.0005129900000000 ]  - [  -0.0008309400000000,  0.0000675300000000,  0.0008532300000000 ]  - [  -0.0012966300000000, -0.0004505200000000,  0.0005129900000000 ]  - [  -0.0008309400000000, -0.0000675300000000,  0.0008532300000000 ]  - [  -0.0010284600000000,  0.0000000000000000,  0.0009641700000000 ]  - [  -0.0009093100000000,  0.0000000000000000,  0.0009501000000000 ]  - [   0.0007753500000000,  0.0000000000000000,  0.0018441200000000 ]  - [   0.0001043500000000,  0.0000000000000000,  0.0029305100000000 ]  - [   0.0010046300000000,  0.0000619700000000,  0.0012752000000000 ]  - [   0.0011465400000000, -0.0001527500000000,  0.0015812100000000 ]  - [   0.0010046300000000, -0.0000619700000000,  0.0012752000000000 ]  - [   0.0011465400000000,  0.0001527500000000,  0.0015812100000000 ]  - [   0.0010241200000000,  0.0000000000000000,  0.0007310600000000 ]  - [   0.0009545900000000,  0.0000000000000000,  0.0006975900000000 ]  - [   0.0010032200000000,  0.0000161400000000,  0.0008081900000000 ]  - [   0.0009750800000000,  0.0000093500000000,  0.0007777400000000 ]  - [   0.0010032200000000, -0.0000161400000000,  0.0008081900000000 ]  - [   0.0009750800000000, -0.0000093500000000,  0.0007777400000000 ]  - [  -0.0010021100000000, -0.0000240000000000, -0.0014129900000000 ]  - [  -0.0009476900000000, -0.0000211600000000, -0.0011405400000000 ]  - [  -0.0010021100000000,  0.0000240000000000, -0.0014129900000000 ]  - [  -0.0009476900000000,  0.0000211600000000, -0.0011405400000000 ]  - [  -0.0009675300000000,  0.0000000000000000, -0.0011702700000000 ]  - [  -0.0009680300000000,  0.0000000000000000, -0.0010903000000000 ]  - [  -0.0020536900000000, -0.0034515500000000,  0.0027375900000000 ]  - [  -0.0010011300000000, -0.0000008700000000, -0.0008216700000000 ]  - [  -0.0020536900000000,  0.0034515500000000,  0.0027375900000000 ]  - [  -0.0010011300000000,  0.0000008700000000, -0.0008216700000000 ]  - [  -0.0009561600000000,  0.0000000000000000, -0.0008753600000000 ]  - [  -0.0009968300000000,  0.0000000000000000, -0.0008821500000000 ]  - [   0.0046167300000000,  0.0000000000000000, -0.0260241300000000 ]  - [   0.0005080900000000,  0.0000000000000000, -0.0010255300000000 ]  - [   0.0009515000000000,  0.0003112600000000, -0.0020568500000000 ]  - [   0.0005832300000000,  0.0000282800000000, -0.0008631300000000 ]  - [   0.0009515000000000, -0.0003112600000000, -0.0020568500000000 ]  - [   0.0005832300000000, -0.0000282800000000, -0.0008631300000000 ]  - [   0.0005968200000000,  0.0000000000000000,  0.0003558500000000 ]  - [   0.0005520100000000,  0.0000000000000000, -0.0001627300000000 ]  - [   0.0005381900000000, -0.0000541500000000,  0.0000144800000000 ]  - [   0.0005608300000000, -0.0000080700000000, -0.0002268100000000 ]  - [   0.0005381900000000,  0.0000541500000000,  0.0000144800000000 ]  - [   0.0005608300000000,  0.0000080700000000, -0.0002268100000000 ]  - [  -0.0007657800000000,  0.0001085900000000,  0.0010299700000000 ]  - [  -0.0004065800000000,  0.0000417400000000,  0.0009133900000000 ]  - [  -0.0007657800000000, -0.0001085900000000,  0.0010299700000000 ]  - [  -0.0004065800000000, -0.0000417400000000,  0.0009133900000000 ]  - [  -0.0006697300000000,  0.0000000000000000,  0.0007296000000000 ]  - [  -0.0005113600000000,  0.0000000000000000,  0.0008245300000000 ]  - [   0.0003623500000000, -0.0010486000000000, -0.0004768600000000 ]  - [  -0.0018219900000000, -0.0001370400000000,  0.0001584100000000 ]  - [   0.0003623500000000,  0.0010486000000000, -0.0004768600000000 ]  - [  -0.0018219900000000,  0.0001370400000000,  0.0001584100000000 ]  - [  -0.0004264800000000,  0.0000000000000000,  0.0002852800000000 ]  - [  -0.0006745200000000,  0.0000000000000000,  0.0002311600000000 ]  - [  -0.0016017600000000,  0.0000000000000000,  0.0001681400000000 ]  - [   0.0020679600000000,  0.0000000000000000,  0.0001657400000000 ]  - [   0.0003764000000000, -0.0003222700000000,  0.0002133200000000 ]  - [   0.0011169000000000, -0.0006469100000000,  0.0002114600000000 ]  - [   0.0003764000000000,  0.0003222700000000,  0.0002133200000000 ]  - [   0.0011169000000000,  0.0006469100000000,  0.0002114600000000 ]  - [   0.0009111100000000,  0.0000000000000000,  0.0011449800000000 ]  - [   0.0002316700000000,  0.0000000000000000,  0.0011444100000000 ]  - [   0.0007267300000000,  0.0001760600000000,  0.0008415500000000 ]  - [   0.0004425400000000,  0.0000936800000000,  0.0008412800000000 ]  - [   0.0007267300000000, -0.0001760600000000,  0.0008415500000000 ]  - [   0.0004425400000000, -0.0000936800000000,  0.0008412800000000 ]  - [  -0.0001612500000000,  0.0018670400000000,  0.0010000300000000 ]  - [  -0.0005780900000000,  0.0001109800000000, -0.0004111300000000 ]  - [  -0.0001612500000000, -0.0018670400000000,  0.0010000300000000 ]  - [  -0.0005780900000000, -0.0001109800000000, -0.0004111300000000 ]  - [  -0.0005884900000000,  0.0000000000000000, -0.0004496100000000 ]  - [  -0.0005170600000000,  0.0000000000000000, -0.0004637300000000 ]  - [  -0.0006757200000000, -0.0008048000000000,  0.0010000500000000 ]  - [  -0.0005885800000000, -0.0000744800000000, -0.0004125300000000 ]  - [  -0.0006757200000000,  0.0008048000000000,  0.0010000500000000 ]  - [  -0.0005885800000000,  0.0000744800000000, -0.0004125300000000 ]  - [  -0.0005349200000000,  0.0000000000000000, -0.0004510700000000 ]  - [  -0.0005694700000000,  0.0000000000000000, -0.0004647500000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0020275900000000,  0.0000000000000000,  0.0002899600000000 ]  - [  -0.0017912300000000,  0.0000000000000000, -0.0003542100000000 ]  - [  -0.0019229000000000, -0.0001649500000000, -0.0002979100000000 ]  - [  -0.0017895500000000, -0.0000271500000000, -0.0003891200000000 ]  - [  -0.0019229000000000,  0.0001649500000000, -0.0002979100000000 ]  - [  -0.0017895500000000,  0.0000271500000000, -0.0003891200000000 ]  - [  -0.0036269300000000,  0.0000000000000000, -0.0056627800000000 ]  - [  -0.0019765500000000,  0.0000000000000000, -0.0005496100000000 ]  - [  -0.0015813300000000,  0.0003806500000000, -0.0006000000000000 ]  - [  -0.0019167400000000,  0.0001003100000000, -0.0005592400000000 ]  - [  -0.0015813300000000, -0.0003806500000000, -0.0006000000000000 ]  - [  -0.0019167400000000, -0.0001003100000000, -0.0005592400000000 ]  - [   0.0020075300000000, -0.0000241000000000, -0.0012840400000000 ]  - [   0.0018562100000000, -0.0000134900000000,  0.0001406300000000 ]  - [   0.0020075300000000,  0.0000241000000000, -0.0012840400000000 ]  - [   0.0018562100000000,  0.0000134900000000,  0.0001406300000000 ]  - [   0.0018526100000000,  0.0000000000000000,  0.0002898800000000 ]  - [   0.0018515500000000,  0.0000000000000000,  0.0002940700000000 ]  - [   0.0018515200000000, -0.0000136900000000,  0.0008026400000000 ]  - [   0.0018108200000000, -0.0000220900000000,  0.0006679900000000 ]  - [   0.0018515200000000,  0.0000136900000000,  0.0008026400000000 ]  - [   0.0018108200000000,  0.0000220900000000,  0.0006679900000000 ]  - [   0.0018427600000000,  0.0000000000000000,  0.0006869700000000 ]  - [   0.0018311600000000,  0.0000000000000000,  0.0006272100000000 ]  - [  -0.0020107000000000,  0.0000000000000000,  0.0007068600000000 ]  - [  -0.0012342700000000,  0.0000000000000000,  0.0011507800000000 ]  - [  -0.0018924000000000, -0.0000761000000000,  0.0005601300000000 ]  - [  -0.0017137900000000, -0.0002421400000000,  0.0006682700000000 ]  - [  -0.0018924000000000,  0.0000761000000000,  0.0005601300000000 ]  - [  -0.0017137900000000,  0.0002421400000000,  0.0006682700000000 ]  - [  -0.0014561300000000,  0.0000000000000000,  0.0005498000000000 ]  - [  -0.0027884200000000,  0.0000000000000000,  0.0016325300000000 ]  - [  -0.0017670000000000,  0.0000843800000000,  0.0005002400000000 ]  - [  -0.0020774200000000,  0.0003729300000000,  0.0007193200000000 ]  - [  -0.0017670000000000, -0.0000843800000000,  0.0005002400000000 ]  - [  -0.0020774200000000, -0.0003729300000000,  0.0007193200000000 ]  - [   0.0028019600000000,  0.0013956800000000, -0.0009547800000000 ]  - [   0.0016717900000000,  0.0001622800000000, -0.0007004900000000 ]  - [   0.0028019600000000, -0.0013956800000000, -0.0009547800000000 ]  - [   0.0016717900000000, -0.0001622800000000, -0.0007004900000000 ]  - [   0.0017614000000000,  0.0000000000000000, -0.0007232000000000 ]  - [   0.0018193400000000,  0.0000000000000000, -0.0006295900000000 ]  - [   0.0017525800000000, -0.0000486500000000, -0.0001564400000000 ]  - [   0.0018960300000000, -0.0000343700000000, -0.0003331100000000 ]  - [   0.0017525800000000,  0.0000486500000000, -0.0001564400000000 ]  - [   0.0018960300000000,  0.0000343700000000, -0.0003331100000000 ]  - [   0.0018123000000000,  0.0000000000000000, -0.0003177900000000 ]  - [   0.0018644600000000,  0.0000000000000000, -0.0003846600000000 ]  - [   0.0038286700000000,  0.0000000000000000, -0.0100803800000000 ]  - [   0.0009408900000000,  0.0000000000000000, -0.0010869700000000 ]  - [   0.0008180600000000, -0.0004207300000000, -0.0012024400000000 ]  - [   0.0010044600000000, -0.0000181200000000, -0.0010750300000000 ]  - [   0.0008180600000000,  0.0004207300000000, -0.0012024400000000 ]  - [   0.0010044600000000,  0.0000181200000000, -0.0010750300000000 ]  - [   0.0009696600000000,  0.0000000000000000, -0.0002331000000000 ]  - [   0.0009575700000000,  0.0000000000000000, -0.0008775400000000 ]  - [   0.0010367300000000,  0.0001140600000000, -0.0007457000000000 ]  - [   0.0009728400000000,  0.0000224800000000, -0.0008929200000000 ]  - [   0.0010367300000000, -0.0001140600000000, -0.0007457000000000 ]  - [   0.0009728400000000, -0.0000224800000000, -0.0008929200000000 ]  - [  -0.0015129000000000,  0.0006194000000000,  0.0012613800000000 ]  - [  -0.0007274500000000,  0.0000616500000000,  0.0011358600000000 ]  - [  -0.0015129000000000, -0.0006194000000000,  0.0012613800000000 ]  - [  -0.0007274500000000, -0.0000616500000000,  0.0011358600000000 ]  - [  -0.0010181200000000,  0.0000000000000000,  0.0010010400000000 ]  - [  -0.0008996600000000,  0.0000000000000000,  0.0010320500000000 ]  - [  -0.0006544200000000, -0.0004467300000000,  0.0014611200000000 ]  - [  -0.0011177900000000, -0.0000670800000000,  0.0011244600000000 ]  - [  -0.0006544200000000,  0.0004467300000000,  0.0014611200000000 ]  - [  -0.0011177900000000,  0.0000670800000000,  0.0011244600000000 ]  - [  -0.0009217800000000,  0.0000000000000000,  0.0010126300000000 ]  - [  -0.0010401800000000,  0.0000000000000000,  0.0010268100000000 ]  - [   0.0011845300000000,  0.0000000000000000,  0.0001353900000000 ]  - [   0.0018591600000000,  0.0000000000000000, -0.0009567400000000 ]  - [   0.0009501400000000, -0.0000609400000000,  0.0007026200000000 ]  - [   0.0008071800000000,  0.0001529500000000,  0.0003959000000000 ]  - [   0.0009501400000000,  0.0000609400000000,  0.0007026200000000 ]  - [   0.0008071800000000, -0.0001529500000000,  0.0003959000000000 ]  - [   0.0009287500000000,  0.0000000000000000,  0.0012458100000000 ]  - [   0.0009991500000000,  0.0000000000000000,  0.0012784400000000 ]  - [   0.0009499200000000, -0.0000161500000000,  0.0011689300000000 ]  - [   0.0009785200000000, -0.0000093300000000,  0.0011991400000000 ]  - [   0.0009499200000000,  0.0000161500000000,  0.0011689300000000 ]  - [   0.0009785200000000,  0.0000093300000000,  0.0011991400000000 ]  - [  -0.0009507500000000,  0.0000244700000000, -0.0005631100000000 ]  - [  -0.0010060600000000,  0.0000213000000000, -0.0008366100000000 ]  - [  -0.0009507500000000, -0.0000244700000000, -0.0005631100000000 ]  - [  -0.0010060600000000, -0.0000213000000000, -0.0008366100000000 ]  - [  -0.0009861000000000,  0.0000000000000000, -0.0008070300000000 ]  - [  -0.0009857700000000,  0.0000000000000000, -0.0008867400000000 ]  - [   0.0000669900000000,  0.0033612600000000, -0.0046668700000000 ]  - [  -0.0009528800000000,  0.0000008200000000, -0.0011554100000000 ]  - [   0.0000669900000000, -0.0033612600000000, -0.0046668700000000 ]  - [  -0.0009528800000000, -0.0000008200000000, -0.0011554100000000 ]  - [  -0.0009974300000000,  0.0000000000000000, -0.0011004500000000 ]  - [  -0.0009565600000000,  0.0000000000000000, -0.0010945800000000 ]  - [  -0.0036416800000000,  0.0000000000000000,  0.0252039200000000 ]  - [   0.0006339100000000,  0.0000000000000000,  0.0000314900000000 ]  - [   0.0001936800000000, -0.0003168500000000,  0.0010598600000000 ]  - [   0.0005582700000000, -0.0000287200000000, -0.0001314200000000 ]  - [   0.0001936800000000,  0.0003168500000000,  0.0010598600000000 ]  - [   0.0005582700000000,  0.0000287200000000, -0.0001314200000000 ]  - [   0.0005438900000000,  0.0000000000000000, -0.0013519400000000 ]  - [   0.0005898600000000,  0.0000000000000000, -0.0008322400000000 ]  - [   0.0006031800000000,  0.0000550700000000, -0.0010095900000000 ]  - [   0.0005810500000000,  0.0000080000000000, -0.0007682100000000 ]  - [   0.0006031800000000, -0.0000550700000000, -0.0010095900000000 ]  - [   0.0005810500000000, -0.0000080000000000, -0.0007682100000000 ]  - [  -0.0003744400000000, -0.0001098000000000, -0.0000358200000000 ]  - [  -0.0007363200000000, -0.0000423100000000,  0.0000815200000000 ]  - [  -0.0003744400000000,  0.0001098000000000, -0.0000358200000000 ]  - [  -0.0007363200000000,  0.0000423100000000,  0.0000815200000000 ]  - [  -0.0004715900000000,  0.0000000000000000,  0.0002656200000000 ]  - [  -0.0006308000000000,  0.0000000000000000,  0.0001700800000000 ]  - [  -0.0015052000000000,  0.0010454900000000,  0.0014620500000000 ]  - [   0.0006819500000000,  0.0001429300000000,  0.0008299300000000 ]  - [  -0.0015052000000000, -0.0010454900000000,  0.0014620500000000 ]  - [   0.0006819500000000, -0.0001429300000000,  0.0008299300000000 ]  - [  -0.0007151800000000,  0.0000000000000000,  0.0007083200000000 ]  - [  -0.0004669300000000,  0.0000000000000000,  0.0007626500000000 ]  - [   0.0027479700000000,  0.0000000000000000,  0.0008389500000000 ]  - [  -0.0009278300000000,  0.0000000000000000,  0.0008363200000000 ]  - [   0.0007633100000000,  0.0003206700000000,  0.0007860100000000 ]  - [   0.0000239200000000,  0.0006471300000000,  0.0007842400000000 ]  - [   0.0007633100000000, -0.0003206700000000,  0.0007860100000000 ]  - [   0.0000239200000000, -0.0006471300000000,  0.0007842400000000 ]  - [   0.0002323200000000,  0.0000000000000000, -0.0001487300000000 ]  - [   0.0009077900000000,  0.0000000000000000, -0.0001493200000000 ]  - [   0.0004154000000000, -0.0001749100000000,  0.0001526800000000 ]  - [   0.0006983000000000, -0.0000935000000000,  0.0001524800000000 ]  - [   0.0004154000000000,  0.0001749100000000,  0.0001526800000000 ]  - [   0.0006983000000000,  0.0000935000000000,  0.0001524800000000 ]  - [  -0.0009848200000000, -0.0018789600000000, -0.0019968300000000 ]  - [  -0.0005632700000000, -0.0001111300000000, -0.0005823900000000 ]  - [  -0.0009848200000000,  0.0018789600000000, -0.0019968300000000 ]  - [  -0.0005632700000000,  0.0001111300000000, -0.0005823900000000 ]  - [  -0.0005525100000000,  0.0000000000000000, -0.0005434900000000 ]  - [  -0.0006245200000000,  0.0000000000000000, -0.0005300100000000 ]  - [  -0.0004687800000000,  0.0007999000000000, -0.0019965800000000 ]  - [  -0.0005523000000000,  0.0000742200000000, -0.0005835700000000 ]  - [  -0.0004687800000000, -0.0007999000000000, -0.0019965800000000 ]  - [  -0.0005523000000000, -0.0000742200000000, -0.0005835700000000 ]  - [  -0.0006068800000000,  0.0000000000000000, -0.0005450500000000 ]  - [  -0.0005720000000000,  0.0000000000000000, -0.0005309600000000 ]