# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fd79c1b7-5d6b-4129-bbd0-ca631ef9de84/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 HgPbF6 / R-3 (148) / materials id 35659](https://mdr.nims.go.jp/datasets/efd2e18c-0a93-4c09-a676-6fe61fd0686a)

## 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: "R-3"  number: 148  Hall_symbol: "-R 3"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.690642756666669,     1.553443706666665,     5.199963136666661 ] # a  - [    -2.690643093333331,     1.553443126666665,     5.199963136666661 ] # b  - [     0.000000336666669,    -3.106886833333335,     5.199963136666661 ] # c  points:  - symbol: F  # 1    coordinates: [  0.761556360000000,  0.081868770000000,  0.392308510000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.081868770000000,  0.392308510000000,  0.761556360000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.392308510000000,  0.761556360000000,  0.081868770000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.607691490000000,  0.238443640000001,  0.918131220000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.918131220000000,  0.607691490000001,  0.238443640000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.238443640000000,  0.918131220000001,  0.607691490000000 ]    mass: 18.998403  - symbol: Hg # 7    coordinates: [  0.500000000000000,  0.500000010000001,  0.500000000000000 ]    mass: 200.590000  - symbol: Pb # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 207.200000  reciprocal_lattice: # without 2pi  - [     0.185829180171248,     0.107288554034070,     0.064103018535437 ] # a*  - [    -0.185829203298564,     0.107288513760640,     0.064103018535437 ] # b*  - [     0.000000023127316,    -0.214577067794710,     0.064103018535437 ] # c*unit_cell:  lattice:  - [     5.381285850000000,     0.000000580000000,     0.000000000000000 ] # a  - [    -2.690643430000000,     4.660329960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.599889409999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.682978480000000,  0.686269370000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.003290890000000,  0.317021520000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.313730630000000,  0.996709110000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.352936040000000,  0.336624230000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.663375770000000,  0.016311810000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.983688190000000,  0.647063960000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.349645140000000,  0.019602700000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.669957560000000,  0.650354860000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.980397300000000,  0.330042440000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.019602700000000,  0.669957560000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.330042440000000,  0.349645140000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.650354860000000,  0.980397300000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.016311810000000,  0.352936040000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 14    coordinates: [  0.336624230000000,  0.983688190000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 15    coordinates: [  0.647063960000000,  0.663375770000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 16    coordinates: [  0.686269370000000,  0.003290890000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.996709110000000,  0.682978480000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.317021520000000,  0.313730630000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Hg # 19    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Pb # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 207.200000    reduced_to: 22  - symbol: Pb # 23    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 207.200000    reduced_to: 22  - symbol: Pb # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 207.200000    reduced_to: 22supercell:  lattice:  - [    10.762571700000001,     0.000001160000000,     0.000000000000000 ] # a  - [    -5.381286860000000,     9.320659920000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.599889409999999 ] # c  points:  - symbol: F  # 1    coordinates: [  0.341489240000000,  0.343134685000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.841489240000000,  0.343134685000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.341489240000000,  0.843134685000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.841489240000000,  0.843134685000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.001645445000000,  0.158510760000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.501645445000000,  0.158510760000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.001645445000000,  0.658510760000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 8    coordinates: [  0.501645445000000,  0.658510760000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 9    coordinates: [  0.156865315000000,  0.498354555000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.656865315000000,  0.498354555000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.156865315000000,  0.998354555000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.656865315000000,  0.998354555000000,  0.078577880000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.176468020000000,  0.168312115000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.676468020000000,  0.168312115000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.176468020000000,  0.668312115000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 16    coordinates: [  0.676468020000000,  0.668312115000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 17    coordinates: [  0.331687885000000,  0.008155905000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.831687885000000,  0.008155905000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.331687885000000,  0.508155905000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.831687885000000,  0.508155905000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.491844095000000,  0.323531980000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.991844095000000,  0.323531980000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.491844095000000,  0.823531980000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 24    coordinates: [  0.991844095000000,  0.823531980000000,  0.254755450000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 25    coordinates: [  0.174822570000000,  0.009801350000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 26    coordinates: [  0.674822570000000,  0.009801350000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 27    coordinates: [  0.174822570000000,  0.509801350000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 28    coordinates: [  0.674822570000000,  0.509801350000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 29    coordinates: [  0.334978780000000,  0.325177430000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 30    coordinates: [  0.834978780000000,  0.325177430000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 31    coordinates: [  0.334978780000000,  0.825177430000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 32    coordinates: [  0.834978780000000,  0.825177430000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 33    coordinates: [  0.490198650000000,  0.165021220000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 34    coordinates: [  0.990198650000000,  0.165021220000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 35    coordinates: [  0.490198650000000,  0.665021220000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 36    coordinates: [  0.990198650000000,  0.665021220000000,  0.411911210000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 37    coordinates: [  0.009801350000000,  0.334978780000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 38    coordinates: [  0.509801350000000,  0.334978780000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 39    coordinates: [  0.009801350000000,  0.834978780000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 40    coordinates: [  0.509801350000000,  0.834978780000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 41    coordinates: [  0.165021220000000,  0.174822570000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 42    coordinates: [  0.665021220000000,  0.174822570000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 43    coordinates: [  0.165021220000000,  0.674822570000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 44    coordinates: [  0.665021220000000,  0.674822570000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 45    coordinates: [  0.325177430000000,  0.490198650000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 46    coordinates: [  0.825177430000000,  0.490198650000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 47    coordinates: [  0.325177430000000,  0.990198650000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 48    coordinates: [  0.825177430000000,  0.990198650000000,  0.588088790000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 49    coordinates: [  0.008155905000000,  0.176468020000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 50    coordinates: [  0.508155905000000,  0.176468020000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 51    coordinates: [  0.008155905000000,  0.676468020000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 52    coordinates: [  0.508155905000000,  0.676468020000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 53    coordinates: [  0.168312115000000,  0.491844095000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 54    coordinates: [  0.668312115000000,  0.491844095000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 55    coordinates: [  0.168312115000000,  0.991844095000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 56    coordinates: [  0.668312115000000,  0.991844095000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 57    coordinates: [  0.323531980000000,  0.331687885000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 58    coordinates: [  0.823531980000000,  0.331687885000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 59    coordinates: [  0.323531980000000,  0.831687885000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 60    coordinates: [  0.823531980000000,  0.831687885000000,  0.745244550000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 61    coordinates: [  0.343134685000000,  0.001645445000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 62    coordinates: [  0.843134685000000,  0.001645445000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 63    coordinates: [  0.343134685000000,  0.501645445000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 64    coordinates: [  0.843134685000000,  0.501645445000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 65    coordinates: [  0.498354555000000,  0.341489240000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 66    coordinates: [  0.998354555000000,  0.341489240000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 67    coordinates: [  0.498354555000000,  0.841489240000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 68    coordinates: [  0.998354555000000,  0.841489240000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 69    coordinates: [  0.158510760000000,  0.156865315000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 70    coordinates: [  0.658510760000000,  0.156865315000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 71    coordinates: [  0.158510760000000,  0.656865315000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 72    coordinates: [  0.658510760000000,  0.656865315000000,  0.921422120000000 ]    mass: 18.998403    reduced_to: 21  - symbol: Hg # 73    coordinates: [  0.166666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 74    coordinates: [  0.666666665000000,  0.333333335000000,  0.166666670000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 75    coordinates: [  0.166666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 76    coordinates: [  0.666666665000000,  0.833333335000000,  0.166666670000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 77    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 78    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 79    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 80    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 81    coordinates: [  0.333333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 82    coordinates: [  0.833333335000000,  0.166666665000000,  0.833333330000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 83    coordinates: [  0.333333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 84    coordinates: [  0.833333335000000,  0.666666665000000,  0.833333330000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Pb # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 89    coordinates: [  0.333333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 90    coordinates: [  0.833333335000000,  0.166666665000000,  0.333333330000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 91    coordinates: [  0.333333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 92    coordinates: [  0.833333335000000,  0.666666665000000,  0.333333330000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 93    coordinates: [  0.166666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 94    coordinates: [  0.666666665000000,  0.333333335000000,  0.666666670000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 95    coordinates: [  0.166666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 207.200000    reduced_to: 85  - symbol: Pb # 96    coordinates: [  0.666666665000000,  0.833333335000000,  0.666666670000000 ]    mass: 207.200000    reduced_to: 85born_effective_charge:- # 1 (F)  - [ -1.143699920000000, -0.392464780000000,  0.522145330000000 ]  - [ -0.263997450000000, -0.959452920000000,  0.363633920000000 ]  - [  0.482833140000000,  0.396461260000000, -1.155150020000000 ]- # 2 (F)  - [ -0.721258186028141,  0.020100600860567,  0.053843547059157 ]  - [  0.148567931550327, -1.381894653971859, -0.634008080173834 ]  - [  0.101928953102053, -0.616376395127310, -1.155150020000000 ]- # 3 (F)  - [ -1.289771153859999,  0.179663183787693, -0.575988877059157 ]  - [  0.308130513894510, -0.813381686140002,  0.270374160173834 ]  - [ -0.584762093102053,  0.219915135127310, -1.155150020000000 ]- # 4 (F)  - [ -1.289771153859999,  0.179663183787693, -0.575988877059157 ]  - [  0.308130513894510, -0.813381686140002,  0.270374160173834 ]  - [ -0.584762093102053,  0.219915135127310, -1.155150020000000 ]- # 5 (F)  - [ -0.721258186028141,  0.020100600860567,  0.053843547059157 ]  - [  0.148567931550327, -1.381894653971859, -0.634008080173834 ]  - [  0.101928953102053, -0.616376395127310, -1.155150020000000 ]- # 6 (F)  - [ -1.143699920000000, -0.392464780000000,  0.522145330000000 ]  - [ -0.263997450000000, -0.959452920000000,  0.363633920000000 ]  - [  0.482833140000000,  0.396461260000000, -1.155150020000000 ]- # 7 (Hg)  - [  2.551030170000000, -0.301960370000000,  0.000000000000000 ]  - [  0.301960370000000,  2.551030170000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.924714580000000 ]- # 8 (Pb)  - [  3.758428330000000,  0.687362380000000, -0.000000000000000 ]  - [ -0.687362370000000,  3.758428330000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.006185570000000 ]dielectric_constant:  - [  3.131130250000000, -0.000000510000000,  0.000000000000000 ]  - [  0.000000510000000,  3.131130260000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.435969170000000 ]displacements:- atom:    1  displacement:    [   0.0099999999999999,  0.0000000010778093,  0.0000000000000000 ]  forces:  - [  -0.0477203200000000, -0.0271881000000000,  0.0378580500000000 ]  - [   0.0023241200000000,  0.0007287900000000, -0.0009496700000000 ]  - [  -0.0002639800000000, -0.0007056200000000,  0.0005441800000000 ]  - [   0.0010992700000000,  0.0013768100000000, -0.0006813800000000 ]  - [   0.0021584300000000,  0.0070293600000000,  0.0045766800000000 ]  - [   0.0012215000000000, -0.0021482500000000, -0.0004799200000000 ]  - [   0.0007702600000000, -0.0006419000000000, -0.0002053800000000 ]  - [  -0.0021331800000000,  0.0024544800000000,  0.0014436400000000 ]  - [   0.0072507400000000, -0.0040840800000000,  0.0049200200000000 ]  - [   0.0077754600000000,  0.0032475100000000,  0.0017601600000000 ]  - [  -0.0010049800000000,  0.0008619000000000, -0.0001145100000000 ]  - [   0.0002683900000000,  0.0003549900000000,  0.0001034100000000 ]  - [  -0.0034618000000000,  0.0027993400000000, -0.0047555900000000 ]  - [   0.0005205700000000, -0.0003226000000000,  0.0003197200000000 ]  - [   0.0006990000000000, -0.0006763900000000,  0.0002408700000000 ]  - [   0.0002631300000000, -0.0000598100000000,  0.0005269400000000 ]  - [  -0.0002983400000000,  0.0003862200000000,  0.0003169100000000 ]  - [   0.0003527000000000,  0.0004211300000000, -0.0000014500000000 ]  - [   0.0001064600000000, -0.0048569800000000, -0.0048569700000000 ]  - [   0.0003602900000000,  0.0008739600000000,  0.0007868900000000 ]  - [  -0.0014033300000000, -0.0011893900000000,  0.0020855400000000 ]  - [  -0.0028255600000000, -0.0003732900000000,  0.0020189200000000 ]  - [  -0.0009875000000000, -0.0008923400000000,  0.0008634500000000 ]  - [   0.0000269400000000,  0.0004126500000000, -0.0001708000000000 ]  - [   0.0004615000000000,  0.0004929100000000, -0.0007828400000000 ]  - [   0.0003703000000000,  0.0000243900000000, -0.0001249700000000 ]  - [   0.0008510500000000,  0.0002817200000000, -0.0007243400000000 ]  - [   0.0001017100000000, -0.0000353500000000,  0.0001458000000000 ]  - [  -0.0003857000000000, -0.0005906000000000, -0.0004560700000000 ]  - [   0.0000070900000000, -0.0003022300000000, -0.0000749300000000 ]  - [  -0.0001415400000000, -0.0003841100000000, -0.0001526100000000 ]  - [  -0.0000967800000000, -0.0001437200000000, -0.0000278500000000 ]  - [  -0.0001540400000000,  0.0001233400000000,  0.0000522000000000 ]  - [  -0.0000846300000000,  0.0003030200000000, -0.0002412300000000 ]  - [  -0.0006964500000000,  0.0001391200000000, -0.0007557000000000 ]  - [  -0.0000427900000000,  0.0002946500000000,  0.0000016200000000 ]  - [   0.0001328200000000, -0.0002153500000000, -0.0000885900000000 ]  - [   0.0000041600000000, -0.0001743600000000, -0.0002079500000000 ]  - [   0.0000930700000000, -0.0001949200000000, -0.0000998500000000 ]  - [   0.0000882600000000, -0.0002160300000000, -0.0001086600000000 ]  - [   0.0001109400000000,  0.0001149200000000, -0.0001689800000000 ]  - [   0.0001889600000000,  0.0001597900000000, -0.0001447100000000 ]  - [   0.0001475300000000,  0.0001653800000000, -0.0001118700000000 ]  - [   0.0001208500000000,  0.0002241300000000, -0.0001088000000000 ]  - [  -0.0001713500000000,  0.0000997400000000, -0.0002629000000000 ]  - [  -0.0002045400000000,  0.0000251000000000, -0.0000739000000000 ]  - [  -0.0002827100000000, -0.0000343000000000, -0.0000732200000000 ]  - [  -0.0002446800000000,  0.0000214000000000, -0.0000506300000000 ]  - [   0.0001222800000000, -0.0001203300000000,  0.0000970700000000 ]  - [   0.0008742000000000,  0.0001894800000000, -0.0008323100000000 ]  - [   0.0003906100000000,  0.0000638300000000, -0.0001616100000000 ]  - [   0.0004812800000000,  0.0002155400000000, -0.0003970500000000 ]  - [  -0.0002403400000000, -0.0004249300000000, -0.0002519800000000 ]  - [   0.0000043000000000, -0.0002385900000000, -0.0003792200000000 ]  - [  -0.0001523400000000, -0.0002841500000000, -0.0000952800000000 ]  - [  -0.0001005000000000, -0.0002861000000000, -0.0001303900000000 ]  - [  -0.0007899800000000,  0.0003810000000000, -0.0006680100000000 ]  - [   0.0000582100000000,  0.0002544000000000, -0.0000518300000000 ]  - [  -0.0001980100000000,  0.0002035400000000, -0.0001314600000000 ]  - [  -0.0001969100000000,  0.0003748700000000, -0.0001752600000000 ]  - [   0.0003420100000000, -0.0008500600000000,  0.0002161000000000 ]  - [   0.0006850100000000, -0.0000859600000000,  0.0008375400000000 ]  - [  -0.0023466900000000, -0.0004871100000000,  0.0000186400000000 ]  - [   0.0007638700000000, -0.0001800800000000,  0.0000487800000000 ]  - [   0.0016759800000000, -0.0018645700000000, -0.0060831700000000 ]  - [   0.0005729600000000,  0.0007106300000000,  0.0008581800000000 ]  - [   0.0000858700000000,  0.0004268200000000,  0.0001436400000000 ]  - [   0.0001811600000000,  0.0005137100000000,  0.0002207800000000 ]  - [  -0.0017722300000000, -0.0001528200000000,  0.0019104900000000 ]  - [   0.0003882200000000,  0.0000924000000000, -0.0003433900000000 ]  - [  -0.0007996200000000, -0.0007895400000000,  0.0012553400000000 ]  - [  -0.0005560500000000,  0.0001100300000000,  0.0000710700000000 ]  - [   0.0206321600000000,  0.0008466500000000, -0.0160024100000000 ]  - [  -0.0035610100000000,  0.0018312000000000, -0.0030760800000000 ]  - [   0.0001710700000000,  0.0001686300000000, -0.0002643100000000 ]  - [  -0.0003256100000000, -0.0014045900000000, -0.0011505500000000 ]  - [  -0.0001963900000000, -0.0001369500000000,  0.0005198500000000 ]  - [   0.0000433700000000,  0.0001702900000000,  0.0003669800000000 ]  - [  -0.0003441900000000, -0.0000334900000000,  0.0004085500000000 ]  - [   0.0003752300000000, -0.0000674700000000,  0.0006005400000000 ]  - [   0.0015625600000000,  0.0020617800000000,  0.0014884800000000 ]  - [  -0.0007384300000000, -0.0000859700000000, -0.0004025300000000 ]  - [   0.0007610200000000, -0.0000987800000000,  0.0001457700000000 ]  - [  -0.0004883100000000, -0.0006458200000000,  0.0003249000000000 ]  - [   0.0016000700000000, -0.0041756000000000, -0.0030634000000000 ]  - [  -0.0009432400000000,  0.0016233300000000,  0.0001380300000000 ]  - [  -0.0051902100000000, -0.0001393200000000, -0.0027552100000000 ]  - [   0.0207231600000000,  0.0216707900000000, -0.0191525200000000 ]  - [   0.0034209800000000,  0.0009993700000000,  0.0008159700000000 ]  - [  -0.0008165300000000,  0.0002199300000000,  0.0000040000000000 ]  - [  -0.0011496000000000,  0.0024020700000000,  0.0016285500000000 ]  - [  -0.0002400300000000, -0.0008496500000000, -0.0006780900000000 ]  - [   0.0004052400000000,  0.0002224100000000,  0.0006681500000000 ]  - [  -0.0004341200000000, -0.0002215900000000,  0.0009581300000000 ]  - [   0.0000352800000000,  0.0000988900000000,  0.0004615800000000 ]  - [  -0.0000470500000000, -0.0002151400000000,  0.0005302800000000 ]- atom:    1  displacement:    [  -0.0099999999999999, -0.0000000010778093,  0.0000000000000000 ]  forces:  - [   0.0491306500000000,  0.0266314900000000, -0.0383378100000000 ]  - [  -0.0016584600000000, -0.0007340800000000,  0.0008102700000000 ]  - [   0.0009369400000000,  0.0007082400000000, -0.0006889900000000 ]  - [  -0.0004388300000000, -0.0013848900000000,  0.0005468000000000 ]  - [  -0.0025106000000000, -0.0076969400000000, -0.0047722600000000 ]  - [  -0.0015256600000000,  0.0015483400000000,  0.0003341700000000 ]  - [  -0.0010932400000000,  0.0000693900000000,  0.0000672500000000 ]  - [   0.0017961400000000, -0.0030669900000000, -0.0015772100000000 ]  - [  -0.0076724400000000,  0.0047217500000000, -0.0051196500000000 ]  - [  -0.0079854900000000, -0.0025995200000000, -0.0018743900000000 ]  - [   0.0006698700000000, -0.0002807600000000, -0.0000291500000000 ]  - [  -0.0006051500000000,  0.0002165900000000, -0.0002443500000000 ]  - [   0.0038135600000000, -0.0033618100000000,  0.0049374500000000 ]  - [  -0.0001863400000000, -0.0002123200000000, -0.0001703000000000 ]  - [  -0.0003709500000000,  0.0001410700000000, -0.0000937600000000 ]  - [   0.0000612500000000, -0.0004750500000000, -0.0003829900000000 ]  - [   0.0006052300000000,  0.0001638900000000, -0.0001748000000000 ]  - [  -0.0000485700000000,  0.0001354500000000,  0.0001490600000000 ]  - [   0.0002050600000000,  0.0054474400000000,  0.0050415700000000 ]  - [  -0.0000555700000000, -0.0003206100000000, -0.0006372800000000 ]  - [   0.0007750800000000,  0.0011749700000000, -0.0019409800000000 ]  - [   0.0022892500000000,  0.0003758200000000, -0.0019370300000000 ]  - [   0.0003697300000000,  0.0008828200000000, -0.0007265200000000 ]  - [  -0.0006554600000000, -0.0004294700000000,  0.0003185400000000 ]  - [   0.0001212500000000, -0.0004363100000000,  0.0006645100000000 ]  - [   0.0002155300000000,  0.0000356700000000,  0.0000012700000000 ]  - [  -0.0002696400000000, -0.0002259000000000,  0.0006043600000000 ]  - [   0.0004852100000000,  0.0000948900000000, -0.0002704200000000 ]  - [   0.0001415700000000,  0.0000502600000000,  0.0003359400000000 ]  - [  -0.0002496200000000, -0.0002437600000000, -0.0000530100000000 ]  - [  -0.0001012400000000, -0.0001582500000000,  0.0000294000000000 ]  - [  -0.0001477100000000, -0.0003995400000000, -0.0000953300000000 ]  - [  -0.0001913000000000,  0.0003579500000000, -0.0001777400000000 ]  - [  -0.0002649200000000,  0.0001798300000000,  0.0001119800000000 ]  - [   0.0003539500000000,  0.0003410400000000,  0.0006348200000000 ]  - [  -0.0003035700000000,  0.0001852900000000, -0.0001260300000000 ]  - [   0.0002146900000000, -0.0002653100000000,  0.0002151500000000 ]  - [   0.0003437800000000, -0.0003052400000000,  0.0003335500000000 ]  - [   0.0002544600000000, -0.0002845100000000,  0.0002258400000000 ]  - [   0.0002593800000000, -0.0002647800000000,  0.0002352300000000 ]  - [   0.0001343000000000,  0.0004287700000000,  0.0002919500000000 ]  - [   0.0000563500000000,  0.0003843800000000,  0.0002677000000000 ]  - [   0.0000964700000000,  0.0003783300000000,  0.0002356500000000 ]  - [   0.0001238100000000,  0.0003204500000000,  0.0002329200000000 ]  - [  -0.0004145800000000, -0.0001597800000000,  0.0003882500000000 ]  - [  -0.0003803300000000, -0.0000848300000000,  0.0001969200000000 ]  - [  -0.0003015700000000, -0.0000255200000000,  0.0001977800000000 ]  - [  -0.0003407000000000, -0.0000791200000000,  0.0001739800000000 ]  - [   0.0005058800000000,  0.0001391700000000, -0.0002446400000000 ]  - [  -0.0002466600000000, -0.0001724000000000,  0.0006854200000000 ]  - [   0.0002359600000000, -0.0000455500000000,  0.0000151200000000 ]  - [   0.0001408800000000, -0.0002013400000000,  0.0002561900000000 ]  - [  -0.0000639400000000, -0.0001218800000000,  0.0001117200000000 ]  - [  -0.0003088500000000, -0.0003132700000000,  0.0002328500000000 ]  - [  -0.0001515900000000, -0.0002649700000000, -0.0000488600000000 ]  - [  -0.0002047200000000, -0.0002664600000000, -0.0000159800000000 ]  - [   0.0004607200000000,  0.0001578000000000,  0.0005205600000000 ]  - [  -0.0003865100000000,  0.0002834200000000, -0.0000965900000000 ]  - [  -0.0001296100000000,  0.0003332300000000, -0.0000158500000000 ]  - [  -0.0001322600000000,  0.0001639700000000,  0.0000268900000000 ]  - [   0.0000003200000000,  0.0002755100000000, -0.0000720500000000 ]  - [  -0.0003460700000000, -0.0004881800000000, -0.0007002700000000 ]  - [   0.0026958000000000, -0.0001004300000000,  0.0001405200000000 ]  - [  -0.0004207900000000, -0.0003946100000000,  0.0000931000000000 ]  - [  -0.0013519200000000,  0.0024078200000000,  0.0061558700000000 ]  - [  -0.0002532500000000, -0.0001347400000000, -0.0007240100000000 ]  - [   0.0002342600000000,  0.0001490300000000, -0.0000047300000000 ]  - [   0.0001359800000000,  0.0000712500000000, -0.0000773600000000 ]  - [   0.0011149200000000,  0.0001615500000000, -0.0017711600000000 ]  - [  -0.0010583100000000, -0.0000955300000000,  0.0004866000000000 ]  - [   0.0001410200000000,  0.0007983600000000, -0.0011283600000000 ]  - [  -0.0001279600000000, -0.0001262500000000,  0.0000839700000000 ]  - [  -0.0216130200000000, -0.0009395700000000,  0.0169573300000000 ]  - [   0.0035536900000000, -0.0018133600000000,  0.0030494200000000 ]  - [  -0.0001715500000000, -0.0001758500000000,  0.0002601600000000 ]  - [   0.0003322800000000,  0.0014155900000000,  0.0011540800000000 ]  - [   0.0001984200000000,  0.0001361400000000, -0.0005201000000000 ]  - [  -0.0000435100000000, -0.0001703500000000, -0.0003676100000000 ]  - [   0.0003455700000000,  0.0000360900000000, -0.0004086800000000 ]  - [  -0.0003758500000000,  0.0000678600000000, -0.0006030100000000 ]  - [  -0.0015534800000000, -0.0020586700000000, -0.0014885300000000 ]  - [   0.0007395600000000,  0.0000878000000000,  0.0004091900000000 ]  - [  -0.0007724200000000,  0.0001079500000000, -0.0001497400000000 ]  - [   0.0004880300000000,  0.0006450000000000, -0.0003187500000000 ]  - [  -0.0016280000000000,  0.0041833600000000,  0.0030766700000000 ]  - [   0.0009402200000000, -0.0016136100000000, -0.0001340300000000 ]  - [   0.0052036200000000,  0.0001379300000000,  0.0027773600000000 ]  - [  -0.0206314900000000, -0.0210571000000000,  0.0186182100000000 ]  - [  -0.0034294600000000, -0.0010049500000000, -0.0008098300000000 ]  - [   0.0008080300000000, -0.0002392100000000,  0.0000097900000000 ]  - [   0.0011542800000000, -0.0024072600000000, -0.0016298900000000 ]  - [   0.0002435200000000,  0.0008503700000000,  0.0006763200000000 ]  - [  -0.0004046500000000, -0.0002268300000000, -0.0006716800000000 ]  - [   0.0004367100000000,  0.0002213800000000, -0.0009549200000000 ]  - [  -0.0000359900000000, -0.0000989700000000, -0.0004623900000000 ]  - [   0.0000506300000000,  0.0002219500000000, -0.0005306200000000 ]- atom:    1  displacement:    [  -0.0050000009380864,  0.0086602534962399,  0.0000000000000000 ]  forces:  - [   0.0010148100000000, -0.0427846100000000,  0.0165371500000000 ]  - [  -0.0000287000000000, -0.0003006100000000,  0.0001247200000000 ]  - [   0.0000232500000000,  0.0004619900000000, -0.0000382800000000 ]  - [   0.0011472700000000,  0.0005557200000000, -0.0005703200000000 ]  - [   0.0004783100000000, -0.0007444500000000, -0.0003424700000000 ]  - [  -0.0019774600000000,  0.0008472700000000,  0.0002878700000000 ]  - [  -0.0004043200000000,  0.0001702500000000,  0.0001914500000000 ]  - [   0.0012318300000000,  0.0064474000000000,  0.0010629100000000 ]  - [  -0.0031528100000000,  0.0012652400000000, -0.0013591100000000 ]  - [   0.0004122200000000, -0.0016445400000000,  0.0004857700000000 ]  - [   0.0002826500000000,  0.0021242600000000, -0.0000785400000000 ]  - [  -0.0008581900000000,  0.0009679900000000, -0.0005259900000000 ]  - [   0.0002012800000000, -0.0002940900000000, -0.0006308000000000 ]  - [  -0.0000380300000000, -0.0001542200000000, -0.0000753500000000 ]  - [  -0.0000652100000000, -0.0001616100000000,  0.0000604800000000 ]  - [   0.0007300500000000, -0.0004655600000000,  0.0005738200000000 ]  - [   0.0000388900000000,  0.0006074000000000, -0.0000947100000000 ]  - [   0.0001542900000000,  0.0004230300000000,  0.0001075400000000 ]  - [   0.0001561900000000,  0.0012478400000000,  0.0017183400000000 ]  - [   0.0001738800000000,  0.0001624400000000,  0.0000528400000000 ]  - [  -0.0007923600000000, -0.0000664000000000, -0.0008578900000000 ]  - [   0.0006389400000000,  0.0000250200000000, -0.0006485300000000 ]  - [  -0.0007436200000000,  0.0000284800000000,  0.0005791400000000 ]  - [  -0.0001197200000000,  0.0001969100000000, -0.0000917900000000 ]  - [   0.0003881600000000,  0.0001526000000000, -0.0002689500000000 ]  - [   0.0003015900000000,  0.0000948300000000, -0.0000906100000000 ]  - [   0.0001694600000000, -0.0000439600000000,  0.0000565900000000 ]  - [   0.0002763800000000, -0.0000809800000000, -0.0000176700000000 ]  - [  -0.0000533800000000, -0.0005620100000000, -0.0003542700000000 ]  - [  -0.0001142700000000, -0.0003616700000000, -0.0001822200000000 ]  - [  -0.0001856700000000, -0.0001478300000000,  0.0000363800000000 ]  - [  -0.0000825900000000, -0.0001809900000000, -0.0000073700000000 ]  - [  -0.0003303100000000,  0.0003303900000000, -0.0002822700000000 ]  - [  -0.0001331200000000,  0.0002627000000000, -0.0001122000000000 ]  - [  -0.0000444900000000,  0.0002121400000000,  0.0001439300000000 ]  - [  -0.0002341500000000,  0.0002652600000000, -0.0001191900000000 ]  - [   0.0001316400000000, -0.0002666100000000, -0.0000065700000000 ]  - [   0.0001669700000000, -0.0002579400000000,  0.0000388100000000 ]  - [   0.0001703200000000, -0.0002123800000000,  0.0000461900000000 ]  - [   0.0001257700000000, -0.0001915800000000, -0.0000028800000000 ]  - [   0.0001409300000000,  0.0002281400000000,  0.0000150500000000 ]  - [   0.0001034500000000,  0.0002577200000000,  0.0000340300000000 ]  - [   0.0000992300000000,  0.0002828000000000,  0.0000371600000000 ]  - [   0.0001651300000000,  0.0002481000000000,  0.0000057000000000 ]  - [  -0.0002410200000000, -0.0000512400000000,  0.0000012700000000 ]  - [  -0.0002895200000000, -0.0000344300000000,  0.0000383200000000 ]  - [  -0.0003009200000000,  0.0000152700000000,  0.0000265200000000 ]  - [  -0.0002736300000000, -0.0000052200000000,  0.0000348800000000 ]  - [   0.0003524300000000, -0.0000694800000000, -0.0000586300000000 ]  - [   0.0002525100000000, -0.0000290800000000,  0.0000172600000000 ]  - [   0.0002692500000000,  0.0000432300000000, -0.0000823700000000 ]  - [   0.0006306500000000,  0.0002589900000000, -0.0004461400000000 ]  - [  -0.0001940600000000, -0.0006566900000000, -0.0004970700000000 ]  - [  -0.0001522900000000, -0.0003836100000000, -0.0001158100000000 ]  - [  -0.0001928200000000, -0.0001386100000000,  0.0000608100000000 ]  - [  -0.0001448200000000, -0.0001506000000000, -0.0000145700000000 ]  - [   0.0000306800000000,  0.0000756100000000,  0.0000438700000000 ]  - [  -0.0002300300000000,  0.0002601300000000, -0.0001084200000000 ]  - [  -0.0003006700000000,  0.0003375100000000, -0.0001683800000000 ]  - [  -0.0000810300000000,  0.0002944100000000, -0.0000345400000000 ]  - [  -0.0001285200000000,  0.0000171100000000,  0.0002527600000000 ]  - [   0.0003966800000000, -0.0002427700000000,  0.0001530200000000 ]  - [  -0.0008168900000000,  0.0008963900000000, -0.0036456700000000 ]  - [   0.0000902600000000, -0.0003095300000000,  0.0000681700000000 ]  - [  -0.0003730400000000, -0.0010476300000000,  0.0020423600000000 ]  - [   0.0000453700000000, -0.0001079000000000, -0.0001728200000000 ]  - [   0.0000081100000000,  0.0008764800000000,  0.0002317700000000 ]  - [   0.0002167700000000,  0.0007060400000000,  0.0003152400000000 ]  - [   0.0002491600000000,  0.0006111800000000,  0.0011669600000000 ]  - [  -0.0006142300000000,  0.0000112600000000,  0.0002693300000000 ]  - [  -0.0007871600000000,  0.0000946500000000,  0.0001159400000000 ]  - [  -0.0001264000000000,  0.0000028700000000, -0.0000217900000000 ]  - [  -0.0157391800000000,  0.0002779100000000,  0.0116341000000000 ]  - [   0.0018559100000000,  0.0008526600000000,  0.0004503100000000 ]  - [   0.0003893000000000, -0.0012211500000000,  0.0002519000000000 ]  - [  -0.0008849000000000, -0.0017922500000000, -0.0012501200000000 ]  - [  -0.0001152400000000, -0.0000719400000000,  0.0001474500000000 ]  - [   0.0000782500000000, -0.0001777000000000,  0.0001087400000000 ]  - [   0.0001004600000000,  0.0000448300000000,  0.0000678100000000 ]  - [  -0.0000411200000000,  0.0002304600000000,  0.0000825700000000 ]  - [   0.0001284100000000, -0.0001669800000000, -0.0013413600000000 ]  - [   0.0000436500000000,  0.0001679300000000, -0.0000583100000000 ]  - [   0.0006528700000000, -0.0009057100000000,  0.0009669500000000 ]  - [   0.0000075100000000, -0.0001367300000000, -0.0000840300000000 ]  - [  -0.0024317600000000, -0.0023581600000000, -0.0007151800000000 ]  - [   0.0018522500000000, -0.0019523400000000, -0.0006586100000000 ]  - [   0.0017765200000000,  0.0003568700000000,  0.0005717000000000 ]  - [   0.0152161300000000,  0.0377130000000000, -0.0267120300000000 ]  - [   0.0001482600000000, -0.0003908800000000,  0.0017961500000000 ]  - [  -0.0000499400000000, -0.0003448900000000,  0.0002869000000000 ]  - [   0.0006417200000000, -0.0003162500000000, -0.0008685100000000 ]  - [  -0.0003854800000000, -0.0000284000000000, -0.0001095500000000 ]  - [  -0.0002230000000000,  0.0003570600000000,  0.0002605500000000 ]  - [   0.0000689800000000,  0.0001194000000000,  0.0000088400000000 ]  - [   0.0001937000000000, -0.0001913600000000,  0.0000536600000000 ]  - [  -0.0001425800000000, -0.0002836300000000,  0.0001999100000000 ]- atom:    1  displacement:    [   0.0050000009380864, -0.0086602534962399,  0.0000000000000000 ]  forces:  - [  -0.0007920500000000,  0.0427766100000000, -0.0163262200000000 ]  - [   0.0006981900000000,  0.0002997300000000, -0.0002677800000000 ]  - [   0.0006457500000000, -0.0004633100000000, -0.0001043900000000 ]  - [  -0.0004755300000000, -0.0005530400000000,  0.0004250200000000 ]  - [  -0.0007983800000000,  0.0001821700000000,  0.0002118200000000 ]  - [   0.0016827100000000, -0.0014420700000000, -0.0004337100000000 ]  - [   0.0000833600000000, -0.0007549800000000, -0.0003356900000000 ]  - [  -0.0015236800000000, -0.0069082400000000, -0.0011873800000000 ]  - [   0.0027928600000000, -0.0006921600000000,  0.0012214000000000 ]  - [  -0.0007627600000000,  0.0022148800000000, -0.0006220800000000 ]  - [  -0.0006309600000000, -0.0015740300000000, -0.0000658700000000 ]  - [   0.0005182700000000, -0.0003893500000000,  0.0003806000000000 ]  - [   0.0001086700000000, -0.0002328700000000,  0.0007697400000000 ]  - [   0.0003688100000000, -0.0003835100000000,  0.0002247600000000 ]  - [   0.0003953000000000, -0.0003770600000000,  0.0000881900000000 ]  - [  -0.0003996300000000, -0.0000745900000000, -0.0004241500000000 ]  - [   0.0002654300000000, -0.0000547000000000,  0.0002439900000000 ]  - [   0.0001503000000000,  0.0001283800000000,  0.0000376500000000 ]  - [   0.0001500600000000, -0.0007081900000000, -0.0015788100000000 ]  - [   0.0001308400000000,  0.0003876200000000,  0.0000917200000000 ]  - [   0.0001653800000000,  0.0000535700000000,  0.0010079000000000 ]  - [  -0.0012696100000000, -0.0000469600000000,  0.0007988200000000 ]  - [   0.0001145200000000, -0.0000482700000000, -0.0004288700000000 ]  - [  -0.0005088800000000, -0.0002137700000000,  0.0002391900000000 ]  - [   0.0001970500000000, -0.0000929000000000,  0.0001441300000000 ]  - [   0.0002847300000000, -0.0000357200000000, -0.0000337600000000 ]  - [   0.0004173200000000,  0.0001026000000000, -0.0001818400000000 ]  - [   0.0003098000000000,  0.0001385800000000, -0.0001063000000000 ]  - [  -0.0001923800000000,  0.0000174200000000,  0.0002305700000000 ]  - [  -0.0001307000000000, -0.0001830300000000,  0.0000582000000000 ]  - [  -0.0000585800000000, -0.0003956200000000, -0.0001593100000000 ]  - [  -0.0001629900000000, -0.0003629000000000, -0.0001157200000000 ]  - [  -0.0000157700000000,  0.0001506500000000,  0.0001570800000000 ]  - [  -0.0002138500000000,  0.0002182300000000, -0.0000145000000000 ]  - [  -0.0003028700000000,  0.0002674300000000, -0.0002711500000000 ]  - [  -0.0001130000000000,  0.0002152400000000, -0.0000065000000000 ]  - [   0.0002142700000000, -0.0002156800000000,  0.0001326100000000 ]  - [   0.0001802500000000, -0.0002233600000000,  0.0000870100000000 ]  - [   0.0001762300000000, -0.0002684300000000,  0.0000794400000000 ]  - [   0.0002203300000000, -0.0002905400000000,  0.0001285900000000 ]  - [   0.0001050300000000,  0.0003151000000000,  0.0001081600000000 ]  - [   0.0001420700000000,  0.0002863300000000,  0.0000899000000000 ]  - [   0.0001451100000000,  0.0002600100000000,  0.0000860400000000 ]  - [   0.0000803100000000,  0.0002949200000000,  0.0001170200000000 ]  - [  -0.0003446200000000, -0.0000082300000000,  0.0001226000000000 ]  - [  -0.0002969700000000, -0.0000255800000000,  0.0000856200000000 ]  - [  -0.0002844500000000, -0.0000748300000000,  0.0000978200000000 ]  - [  -0.0003130600000000, -0.0000527100000000,  0.0000889500000000 ]  - [   0.0002741300000000,  0.0000857600000000, -0.0000878400000000 ]  - [   0.0003737500000000,  0.0000449900000000, -0.0001625000000000 ]  - [   0.0003569700000000, -0.0000268100000000, -0.0000641300000000 ]  - [  -0.0000036900000000, -0.0002430200000000,  0.0002997900000000 ]  - [  -0.0001126000000000,  0.0001043700000000,  0.0003515700000000 ]  - [  -0.0001532900000000, -0.0001701400000000, -0.0000309100000000 ]  - [  -0.0001128600000000, -0.0004130600000000, -0.0002070900000000 ]  - [  -0.0001617100000000, -0.0004015300000000, -0.0001316100000000 ]  - [  -0.0003581700000000,  0.0004614600000000, -0.0001912000000000 ]  - [  -0.0000985500000000,  0.0002778700000000, -0.0000399000000000 ]  - [  -0.0000274400000000,  0.0001990400000000,  0.0000207400000000 ]  - [  -0.0002480200000000,  0.0002452200000000, -0.0001143800000000 ]  - [   0.0004696500000000, -0.0005922200000000, -0.0001125600000000 ]  - [  -0.0000538500000000, -0.0003316000000000, -0.0000075000000000 ]  - [   0.0011442100000000, -0.0014676300000000,  0.0037502500000000 ]  - [   0.0002522700000000, -0.0002683300000000,  0.0000773400000000 ]  - [   0.0006941900000000,  0.0016360400000000, -0.0019102900000000 ]  - [   0.0002746300000000,  0.0006891100000000,  0.0003164200000000 ]  - [   0.0003108900000000, -0.0002958000000000, -0.0000914500000000 ]  - [   0.0001004500000000, -0.0001254200000000, -0.0001739900000000 ]  - [  -0.0009227800000000, -0.0006094300000000, -0.0010293200000000 ]  - [  -0.0000535100000000, -0.0000098300000000, -0.0001298600000000 ]  - [   0.0001172100000000, -0.0000970800000000,  0.0000271100000000 ]  - [  -0.0005460400000000, -0.0000145100000000,  0.0001713400000000 ]  - [   0.0156800700000000, -0.0004500300000000, -0.0115257400000000 ]  - [  -0.0018604500000000, -0.0008655400000000, -0.0004559300000000 ]  - [  -0.0003901900000000,  0.0012261000000000, -0.0002601400000000 ]  - [   0.0008772300000000,  0.0017836800000000,  0.0012336400000000 ]  - [   0.0001139400000000,  0.0000709600000000, -0.0001465300000000 ]  - [  -0.0000778500000000,  0.0001773000000000, -0.0001086700000000 ]  - [  -0.0001012800000000, -0.0000450900000000, -0.0000675100000000 ]  - [   0.0000420300000000, -0.0002308600000000, -0.0000818500000000 ]  - [  -0.0001286300000000,  0.0001616600000000,  0.0013456600000000 ]  - [  -0.0000458600000000, -0.0001683700000000,  0.0000601800000000 ]  - [  -0.0006510500000000,  0.0009038800000000, -0.0009620700000000 ]  - [  -0.0000096800000000,  0.0001377200000000,  0.0000880800000000 ]  - [   0.0024463600000000,  0.0023546900000000,  0.0007191700000000 ]  - [  -0.0018538600000000,  0.0019579000000000,  0.0006689800000000 ]  - [  -0.0017813400000000, -0.0003578400000000, -0.0005719200000000 ]  - [  -0.0146774700000000, -0.0375837000000000,  0.0262691000000000 ]  - [  -0.0001406500000000,  0.0003909100000000, -0.0018004500000000 ]  - [   0.0000473800000000,  0.0003436100000000, -0.0002875400000000 ]  - [  -0.0006460900000000,  0.0003234600000000,  0.0008703900000000 ]  - [   0.0003840700000000,  0.0000293000000000,  0.0001093200000000 ]  - [   0.0002219200000000, -0.0003589500000000, -0.0002605000000000 ]  - [  -0.0000664900000000, -0.0001197100000000, -0.0000067200000000 ]  - [  -0.0001943300000000,  0.0001914000000000, -0.0000524300000000 ]  - [   0.0001441900000000,  0.0002872100000000, -0.0001970300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0382701200000000,  0.0402598800000000, -0.0548350900000000 ]  - [  -0.0005465300000000, -0.0002829400000000,  0.0000531900000000 ]  - [   0.0009524900000000,  0.0003960600000000, -0.0009161400000000 ]  - [  -0.0002819900000000, -0.0009309700000000,  0.0001899600000000 ]  - [  -0.0014505500000000, -0.0053476800000000, -0.0045603000000000 ]  - [  -0.0001699400000000, -0.0002336300000000, -0.0008706600000000 ]  - [  -0.0006141400000000, -0.0002292300000000, -0.0003463000000000 ]  - [   0.0003890500000000, -0.0027200600000000, -0.0035041200000000 ]  - [  -0.0045688700000000,  0.0031484300000000, -0.0045562400000000 ]  - [  -0.0028107100000000,  0.0005009100000000, -0.0035003800000000 ]  - [  -0.0001244700000000, -0.0001513500000000, -0.0008748300000000 ]  - [  -0.0002966100000000,  0.0000566400000000, -0.0003470500000000 ]  - [   0.0034785200000000, -0.0041005700000000,  0.0055901900000000 ]  - [   0.0002053800000000, -0.0003317900000000,  0.0000351300000000 ]  - [  -0.0005314400000000,  0.0001548800000000, -0.0002545800000000 ]  - [   0.0000860500000000, -0.0000283000000000, -0.0002956400000000 ]  - [   0.0006534700000000, -0.0005409800000000, -0.0002967200000000 ]  - [   0.0000024500000000,  0.0000798100000000,  0.0000338400000000 ]  - [  -0.0005491000000000,  0.0063026700000000,  0.0055856300000000 ]  - [   0.0001389200000000,  0.0000888600000000, -0.0002550300000000 ]  - [   0.0017124200000000,  0.0000789100000000,  0.0007602300000000 ]  - [   0.0016848300000000,  0.0003030100000000, -0.0018841200000000 ]  - [   0.0004864800000000,  0.0010375500000000, -0.0008784100000000 ]  - [  -0.0005590200000000, -0.0003406200000000,  0.0002097000000000 ]  - [  -0.0000359600000000, -0.0005920700000000,  0.0009663100000000 ]  - [   0.0002047900000000, -0.0000315700000000,  0.0001466100000000 ]  - [  -0.0004692000000000, -0.0003066700000000,  0.0008879200000000 ]  - [   0.0004651200000000,  0.0001455500000000, -0.0000166900000000 ]  - [  -0.0000046300000000,  0.0003483300000000,  0.0009342600000000 ]  - [  -0.0002166400000000, -0.0001515600000000,  0.0001343100000000 ]  - [  -0.0000816000000000, -0.0001779400000000,  0.0001116000000000 ]  - [  -0.0001567900000000, -0.0002780500000000,  0.0000808500000000 ]  - [   0.0001762400000000,  0.0000879300000000,  0.0003767000000000 ]  - [  -0.0002856700000000,  0.0001502500000000,  0.0002356100000000 ]  - [   0.0004351100000000,  0.0003801100000000,  0.0008796400000000 ]  - [  -0.0001751900000000,  0.0001732800000000,  0.0000751100000000 ]  - [   0.0003994900000000, -0.0003074400000000,  0.0005386200000000 ]  - [   0.0004511800000000, -0.0003463300000000,  0.0005912500000000 ]  - [   0.0003717500000000, -0.0003263600000000,  0.0004603800000000 ]  - [   0.0004074000000000, -0.0003432500000000,  0.0005064500000000 ]  - [   0.0000983100000000,  0.0005980700000000,  0.0005898300000000 ]  - [   0.0000570200000000,  0.0005084500000000,  0.0005051600000000 ]  - [   0.0001051300000000,  0.0004696700000000,  0.0004592300000000 ]  - [   0.0000530700000000,  0.0004878900000000,  0.0005375400000000 ]  - [  -0.0006186900000000, -0.0002880700000000,  0.0007807400000000 ]  - [  -0.0004280300000000, -0.0001354600000000,  0.0003833300000000 ]  - [  -0.0004285700000000, -0.0001492300000000,  0.0004774700000000 ]  - [  -0.0004053100000000, -0.0001251300000000,  0.0003573200000000 ]  - [   0.0005204600000000,  0.0001789500000000, -0.0000256200000000 ]  - [  -0.0003500700000000, -0.0002378200000000,  0.0008730100000000 ]  - [   0.0002494100000000, -0.0000608500000000,  0.0001367100000000 ]  - [  -0.0004097500000000, -0.0006468100000000,  0.0009508500000000 ]  - [   0.0000536700000000,  0.0004064200000000,  0.0008661800000000 ]  - [  -0.0003714400000000, -0.0002808200000000,  0.0003665200000000 ]  - [  -0.0002013800000000, -0.0000422800000000,  0.0002290900000000 ]  - [  -0.0002090800000000, -0.0003163600000000,  0.0000660900000000 ]  - [   0.0005234400000000,  0.0002082500000000,  0.0009191400000000 ]  - [  -0.0002512500000000,  0.0002566700000000,  0.0000698000000000 ]  - [  -0.0000317500000000,  0.0003301500000000,  0.0001260100000000 ]  - [  -0.0001700700000000,  0.0001603400000000,  0.0001008600000000 ]  - [  -0.0003744000000000,  0.0003097900000000, -0.0005677200000000 ]  - [  -0.0000653700000000, -0.0003374700000000, -0.0005845600000000 ]  - [   0.0042765600000000, -0.0049265600000000,  0.0060521300000000 ]  - [  -0.0002228900000000, -0.0003432100000000, -0.0001334000000000 ]  - [  -0.0035028700000000,  0.0024723900000000,  0.0060464800000000 ]  - [   0.0003422600000000,  0.0000173700000000, -0.0005704900000000 ]  - [   0.0002403500000000, -0.0006416600000000, -0.0005830700000000 ]  - [   0.0001538100000000,  0.0003195700000000, -0.0001342100000000 ]  - [   0.0015010000000000,  0.0023222400000000, -0.0003009400000000 ]  - [  -0.0007497500000000, -0.0000103500000000,  0.0000628400000000 ]  - [   0.0008562700000000,  0.0007393600000000, -0.0014062000000000 ]  - [  -0.0003507600000000, -0.0001300900000000, -0.0003906900000000 ]  - [  -0.0128718800000000, -0.0007745900000000,  0.0119240200000000 ]  - [  -0.0006724500000000, -0.0008960800000000,  0.0021737700000000 ]  - [  -0.0000489200000000,  0.0003545300000000,  0.0010703200000000 ]  - [   0.0002607500000000,  0.0008005200000000,  0.0017248800000000 ]  - [   0.0002942200000000,  0.0001322300000000, -0.0011382500000000 ]  - [  -0.0001610800000000,  0.0000031600000000, -0.0010090300000000 ]  - [   0.0003030500000000,  0.0000631700000000, -0.0009992900000000 ]  - [  -0.0003415100000000, -0.0001197400000000, -0.0014582600000000 ]  - [  -0.0006017100000000, -0.0027281500000000, -0.0024472000000000 ]  - [   0.0002572300000000, -0.0000834700000000,  0.0001406600000000 ]  - [  -0.0018081900000000,  0.0018761300000000, -0.0016468500000000 ]  - [   0.0004058900000000,  0.0005429500000000, -0.0002656500000000 ]  - [  -0.0017171100000000,  0.0010136200000000,  0.0040637400000000 ]  - [   0.0001759900000000, -0.0000955500000000,  0.0019088400000000 ]  - [   0.0020504000000000, -0.0000186900000000,  0.0031851300000000 ]  - [  -0.0217172800000000, -0.0349070000000000,  0.0378716700000000 ]  - [  -0.0030800100000000,  0.0008496600000000, -0.0036348700000000 ]  - [   0.0005412300000000, -0.0000982200000000, -0.0003540800000000 ]  - [   0.0016189600000000, -0.0030192600000000, -0.0021989200000000 ]  - [  -0.0000233200000000,  0.0002853900000000, -0.0000423900000000 ]  - [  -0.0003762900000000, -0.0005326600000000, -0.0020263200000000 ]  - [   0.0004400300000000,  0.0002189200000000, -0.0016715800000000 ]  - [  -0.0000993100000000, -0.0001077300000000, -0.0012402400000000 ]  - [   0.0002398000000000,  0.0005337200000000, -0.0013806900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0379261000000000, -0.0416761400000000,  0.0551973500000000 ]  - [   0.0012114800000000,  0.0002799500000000, -0.0001910400000000 ]  - [  -0.0002808500000000, -0.0003927100000000,  0.0007725600000000 ]  - [   0.0009454200000000,  0.0009270500000000, -0.0003270900000000 ]  - [   0.0011299400000000,  0.0047555000000000,  0.0043994200000000 ]  - [  -0.0001567100000000, -0.0003387000000000,  0.0007326100000000 ]  - [   0.0002924000000000, -0.0003510300000000,  0.0002068400000000 ]  - [  -0.0007179800000000,  0.0021171600000000,  0.0033815300000000 ]  - [   0.0042255700000000, -0.0025691500000000,  0.0044030500000000 ]  - [   0.0024609700000000,  0.0000555400000000,  0.0033854500000000 ]  - [  -0.0002163200000000,  0.0007343000000000,  0.0007287200000000 ]  - [  -0.0000425600000000,  0.0005176500000000,  0.0002060100000000 ]  - [  -0.0031212800000000,  0.0035188400000000, -0.0053909100000000 ]  - [   0.0001252400000000, -0.0002038900000000,  0.0001111800000000 ]  - [   0.0008547900000000, -0.0006892700000000,  0.0003976900000000 ]  - [   0.0002402300000000, -0.0005074700000000,  0.0004380000000000 ]  - [  -0.0003451100000000,  0.0010869100000000,  0.0004369900000000 ]  - [   0.0003010600000000,  0.0004726900000000,  0.0001100900000000 ]  - [   0.0008510200000000, -0.0056979500000000, -0.0053956900000000 ]  - [   0.0001651800000000,  0.0004599300000000,  0.0003972000000000 ]  - [  -0.0023136000000000, -0.0000923600000000, -0.0006035300000000 ]  - [  -0.0022710300000000, -0.0003102600000000,  0.0019818000000000 ]  - [  -0.0011036200000000, -0.0010454900000000,  0.0010138100000000 ]  - [  -0.0000698300000000,  0.0003222100000000, -0.0000636500000000 ]  - [   0.0006179100000000,  0.0006471000000000, -0.0010825700000000 ]  - [   0.0003813300000000,  0.0000924200000000, -0.0002713900000000 ]  - [   0.0010487300000000,  0.0003630100000000, -0.0010062300000000 ]  - [   0.0001234200000000, -0.0000846000000000, -0.0001097000000000 ]  - [  -0.0002385900000000, -0.0008886600000000, -0.0010529700000000 ]  - [  -0.0000271800000000, -0.0003945900000000, -0.0002613800000000 ]  - [  -0.0001612000000000, -0.0003655500000000, -0.0002354600000000 ]  - [  -0.0000877800000000, -0.0002667200000000, -0.0002049900000000 ]  - [  -0.0005217000000000,  0.0003924400000000, -0.0005015000000000 ]  - [  -0.0000652100000000,  0.0003311300000000, -0.0003644300000000 ]  - [  -0.0007775200000000,  0.0001002500000000, -0.0009994900000000 ]  - [  -0.0001735600000000,  0.0003064900000000, -0.0002014100000000 ]  - [  -0.0000538100000000, -0.0001737000000000, -0.0004128500000000 ]  - [  -0.0001027700000000, -0.0001333700000000, -0.0004651200000000 ]  - [  -0.0000244100000000, -0.0001535100000000, -0.0003337600000000 ]  - [  -0.0000606100000000, -0.0001367200000000, -0.0003804200000000 ]  - [   0.0001461800000000, -0.0000552900000000, -0.0004666700000000 ]  - [   0.0001879000000000,  0.0000354400000000, -0.0003818000000000 ]  - [   0.0001378200000000,  0.0000743800000000, -0.0003348900000000 ]  - [   0.0001916400000000,  0.0000563300000000, -0.0004138600000000 ]  - [   0.0000332800000000,  0.0002279800000000, -0.0006564100000000 ]  - [  -0.0001572300000000,  0.0000751700000000, -0.0002597200000000 ]  - [  -0.0001566900000000,  0.0000891600000000, -0.0003524500000000 ]  - [  -0.0001805900000000,  0.0000664000000000, -0.0002331400000000 ]  - [   0.0001042400000000, -0.0001628400000000, -0.0001187100000000 ]  - [   0.0009791400000000,  0.0002551900000000, -0.0010213800000000 ]  - [   0.0003757800000000,  0.0000784000000000, -0.0002814600000000 ]  - [   0.0010380300000000,  0.0006662400000000, -0.0010979700000000 ]  - [  -0.0003605500000000, -0.0009598800000000, -0.0010131200000000 ]  - [   0.0000677800000000, -0.0002694300000000, -0.0005114900000000 ]  - [  -0.0001026800000000, -0.0005072100000000, -0.0003714300000000 ]  - [  -0.0000960900000000, -0.0002345400000000, -0.0002103900000000 ]  - [  -0.0008535800000000,  0.0003282900000000, -0.0010682300000000 ]  - [  -0.0000765700000000,  0.0002803100000000, -0.0002161700000000 ]  - [  -0.0002946900000000,  0.0002041600000000, -0.0002698200000000 ]  - [  -0.0001575200000000,  0.0003778100000000, -0.0002463900000000 ]  - [   0.0007195300000000, -0.0008857900000000,  0.0007174100000000 ]  - [   0.0004059100000000, -0.0002369300000000,  0.0007284200000000 ]  - [  -0.0040093000000000,  0.0044227800000000, -0.0059937000000000 ]  - [   0.0005646500000000, -0.0002327600000000,  0.0002800200000000 ]  - [   0.0038935800000000, -0.0019374900000000, -0.0059992800000000 ]  - [  -0.0000240100000000,  0.0005617000000000,  0.0007145800000000 ]  - [   0.0000790900000000,  0.0012274100000000,  0.0007300100000000 ]  - [   0.0001625100000000,  0.0002627200000000,  0.0002789300000000 ]  - [  -0.0021808100000000, -0.0023400400000000,  0.0004382500000000 ]  - [   0.0000797900000000,  0.0000076100000000,  0.0000837200000000 ]  - [  -0.0015273200000000, -0.0007398200000000,  0.0015495600000000 ]  - [  -0.0003380800000000,  0.0000987000000000,  0.0005693500000000 ]  - [   0.0122405100000000,  0.0007216800000000, -0.0115972200000000 ]  - [   0.0006822300000000,  0.0008920400000000, -0.0021577200000000 ]  - [   0.0000506500000000, -0.0003560200000000, -0.0010645600000000 ]  - [  -0.0002614300000000, -0.0007924900000000, -0.0017149900000000 ]  - [  -0.0002918200000000, -0.0001316800000000,  0.0011384500000000 ]  - [   0.0001602300000000, -0.0000035100000000,  0.0010096000000000 ]  - [  -0.0003002000000000, -0.0000620500000000,  0.0010004900000000 ]  - [   0.0003382800000000,  0.0001191600000000,  0.0014568300000000 ]  - [   0.0006111800000000,  0.0027484100000000,  0.0024572700000000 ]  - [  -0.0002575000000000,  0.0000846600000000, -0.0001426000000000 ]  - [   0.0018153000000000, -0.0018933800000000,  0.0016576500000000 ]  - [  -0.0004048900000000, -0.0005447600000000,  0.0002633200000000 ]  - [   0.0017030400000000, -0.0010275300000000, -0.0040795500000000 ]  - [  -0.0001740900000000,  0.0000913300000000, -0.0019230500000000 ]  - [  -0.0020535100000000,  0.0000239500000000, -0.0031992300000000 ]  - [   0.0226493000000000,  0.0364356900000000, -0.0386831900000000 ]  - [   0.0030593400000000, -0.0008473000000000,  0.0036232100000000 ]  - [  -0.0005440600000000,  0.0000876900000000,  0.0003679300000000 ]  - [  -0.0016096900000000,  0.0030051100000000,  0.0021971900000000 ]  - [   0.0000235700000000, -0.0002824200000000,  0.0000508200000000 ]  - [   0.0003777400000000,  0.0005338900000000,  0.0020279500000000 ]  - [  -0.0004402900000000, -0.0002210400000000,  0.0016753000000000 ]  - [   0.0000990400000000,  0.0001075800000000,  0.0012382900000000 ]  - [  -0.0002394300000000, -0.0005319200000000,  0.0013813700000000 ]- atom:   73  displacement:    [   0.0099999999999999,  0.0000000010778093,  0.0000000000000000 ]  forces:  - [   0.0219446300000000, -0.0059288300000000, -0.0131288700000000 ]  - [  -0.0032161800000000,  0.0000816800000000, -0.0007329400000000 ]  - [   0.0005077900000000,  0.0005523200000000, -0.0001237400000000 ]  - [  -0.0000012000000000, -0.0012178700000000,  0.0001965800000000 ]  - [   0.0080512700000000,  0.0061626600000000,  0.0054480700000000 ]  - [  -0.0014156700000000,  0.0003673500000000,  0.0002666800000000 ]  - [  -0.0012704100000000,  0.0015657000000000,  0.0004895800000000 ]  - [  -0.0003436500000000, -0.0040703500000000, -0.0005055800000000 ]  - [   0.0035912900000000, -0.0104428700000000,  0.0066894200000000 ]  - [  -0.0035446600000000, -0.0000649400000000, -0.0008866500000000 ]  - [   0.0013144500000000,  0.0013681400000000,  0.0010472200000000 ]  - [  -0.0008010400000000, -0.0003430800000000, -0.0003542300000000 ]  - [   0.0039782100000000, -0.0113276200000000,  0.0071613300000000 ]  - [  -0.0032085800000000, -0.0006124000000000, -0.0007530200000000 ]  - [   0.0016231300000000,  0.0008121700000000,  0.0011798600000000 ]  - [  -0.0004637500000000, -0.0009048900000000, -0.0002093500000000 ]  - [  -0.0009523800000000,  0.0021376300000000,  0.0006311900000000 ]  - [  -0.0000334000000000, -0.0034819800000000, -0.0003647100000000 ]  - [   0.0082773700000000,  0.0069837000000000,  0.0058105200000000 ]  - [  -0.0010973600000000,  0.0009187800000000,  0.0004003500000000 ]  - [  -0.0038747300000000,  0.0000929600000000, -0.0006196000000000 ]  - [   0.0203173500000000, -0.0059772200000000, -0.0119929600000000 ]  - [  -0.0006350900000000, -0.0012035000000000,  0.0003266300000000 ]  - [  -0.0001443800000000,  0.0005378100000000,  0.0000243800000000 ]  - [   0.0010579300000000,  0.0012221900000000, -0.0018685200000000 ]  - [  -0.0001947600000000, -0.0002405900000000,  0.0003423800000000 ]  - [   0.0018394700000000,  0.0010708200000000, -0.0006611100000000 ]  - [  -0.0004426800000000, -0.0003453400000000,  0.0001929700000000 ]  - [  -0.0003273700000000, -0.0013128900000000, -0.0021294700000000 ]  - [  -0.0012320100000000,  0.0009159200000000,  0.0024735500000000 ]  - [  -0.0002445000000000,  0.0001633900000000,  0.0002065100000000 ]  - [   0.0000000700000000, -0.0006820700000000, -0.0002629300000000 ]  - [  -0.0010911100000000,  0.0006395900000000, -0.0007395500000000 ]  - [   0.0023108200000000, -0.0012825300000000,  0.0026091000000000 ]  - [  -0.0003293900000000, -0.0001927200000000, -0.0007788800000000 ]  - [  -0.0004507200000000,  0.0005933800000000, -0.0001194900000000 ]  - [   0.0004810400000000, -0.0002125200000000,  0.0003361600000000 ]  - [  -0.0001614600000000, -0.0001836000000000, -0.0001976400000000 ]  - [   0.0000599400000000, -0.0000715200000000, -0.0001426000000000 ]  - [   0.0002279900000000, -0.0004040100000000,  0.0001402900000000 ]  - [   0.0003427700000000,  0.0004276600000000,  0.0001275200000000 ]  - [  -0.0000693900000000,  0.0002379200000000,  0.0001445200000000 ]  - [   0.0001167100000000,  0.0002968800000000,  0.0000300100000000 ]  - [   0.0001114400000000,  0.0001148500000000, -0.0000342400000000 ]  - [   0.0000817300000000,  0.0001388600000000, -0.0002768800000000 ]  - [  -0.0006373100000000, -0.0001125400000000,  0.0003631700000000 ]  - [  -0.0002485500000000,  0.0000859400000000, -0.0000987800000000 ]  - [  -0.0004904800000000, -0.0002740700000000,  0.0003539400000000 ]  - [   0.0006890300000000,  0.0001782500000000, -0.0004141800000000 ]  - [  -0.0000315500000000, -0.0000744500000000,  0.0002297000000000 ]  - [   0.0003561400000000,  0.0001232500000000, -0.0002331200000000 ]  - [   0.0001150800000000, -0.0002378500000000,  0.0002208100000000 ]  - [   0.0000669900000000, -0.0001186800000000, -0.0000052900000000 ]  - [  -0.0003447800000000, -0.0003096400000000,  0.0000110800000000 ]  - [  -0.0001572700000000, -0.0002512400000000, -0.0001054400000000 ]  - [  -0.0001645000000000, -0.0004337800000000, -0.0001699800000000 ]  - [   0.0001448800000000,  0.0002976800000000,  0.0001998500000000 ]  - [  -0.0005002400000000,  0.0003255700000000, -0.0003345400000000 ]  - [  -0.0002772400000000,  0.0004370800000000, -0.0002789800000000 ]  - [  -0.0001093800000000,  0.0001055000000000,  0.0000033600000000 ]  - [  -0.0001040300000000,  0.0000666200000000,  0.0000175000000000 ]  - [  -0.0000005200000000, -0.0007211200000000, -0.0006640700000000 ]  - [   0.0026564200000000, -0.0018143000000000,  0.0027496500000000 ]  - [  -0.0007452100000000,  0.0001078500000000, -0.0005987000000000 ]  - [  -0.0009494800000000,  0.0014760500000000,  0.0026116400000000 ]  - [  -0.0000504600000000, -0.0007521700000000, -0.0019967100000000 ]  - [   0.0002831900000000, -0.0001199500000000, -0.0001312200000000 ]  - [   0.0000353600000000,  0.0007246300000000,  0.0003394300000000 ]  - [   0.0012326000000000,  0.0010540700000000, -0.0005429100000000 ]  - [  -0.0010757600000000, -0.0003750000000000,  0.0003317500000000 ]  - [   0.0004328200000000,  0.0011975300000000, -0.0017453800000000 ]  - [  -0.0008225700000000, -0.0002741200000000,  0.0004786000000000 ]  - [  -0.0829615500000000, -0.0000061900000000,  0.0000151700000000 ]  - [   0.0074571400000000, -0.0008972800000000,  0.0000884700000000 ]  - [   0.0001912100000000, -0.0032980500000000, -0.0011813700000000 ]  - [   0.0017452800000000,  0.0041946700000000,  0.0010884000000000 ]  - [  -0.0014857200000000,  0.0005735300000000, -0.0000379100000000 ]  - [   0.0008187100000000, -0.0000028600000000,  0.0000009600000000 ]  - [  -0.0004032000000000, -0.0011957600000000, -0.0011261100000000 ]  - [   0.0005830200000000,  0.0006269700000000,  0.0011634400000000 ]  - [  -0.0004105300000000, -0.0012004100000000, -0.0011284800000000 ]  - [   0.0005912300000000,  0.0006216500000000,  0.0011692800000000 ]  - [  -0.0014907600000000,  0.0005745600000000, -0.0000371600000000 ]  - [   0.0008191900000000,  0.0000030200000000,  0.0000002800000000 ]  - [  -0.0059301900000000,  0.0034173200000000,  0.0030304900000000 ]  - [   0.0014741600000000, -0.0003025100000000, -0.0000049800000000 ]  - [   0.0087773300000000, -0.0040537900000000,  0.0097192600000000 ]  - [   0.0079146100000000,  0.0123960100000000, -0.0128016100000000 ]  - [   0.0087243000000000, -0.0040960300000000,  0.0097488300000000 ]  - [   0.0078594100000000,  0.0123008600000000, -0.0126801000000000 ]  - [  -0.0058795000000000,  0.0033594300000000,  0.0029825400000000 ]  - [   0.0014688400000000, -0.0002854300000000,  0.0000052700000000 ]  - [  -0.0008350900000000, -0.0005719700000000,  0.0000000900000000 ]  - [   0.0009055200000000,  0.0002577300000000, -0.0001694100000000 ]  - [   0.0000786900000000, -0.0003147100000000,  0.0002755200000000 ]  - [  -0.0000048300000000,  0.0006891300000000, -0.0001039100000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0157270400000000,  0.0038975900000000,  0.0115095800000000 ]  - [  -0.0027274200000000, -0.0012432400000000,  0.0020930900000000 ]  - [   0.0000715500000000,  0.0001487500000000,  0.0009940600000000 ]  - [  -0.0008212100000000, -0.0020994000000000,  0.0016506300000000 ]  - [   0.0112389400000000,  0.0116712200000000,  0.0115095800000000 ]  - [   0.0000930400000000, -0.0001363300000000,  0.0009940600000000 ]  - [  -0.0014075300000000,  0.0017608900000000,  0.0016506300000000 ]  - [   0.0002870300000000,  0.0029836400000000,  0.0020930900000000 ]  - [   0.0044881100000000, -0.0155688200000000,  0.0115095800000000 ]  - [   0.0022287400000000,  0.0003385100000000,  0.0016506300000000 ]  - [   0.0024403900000000, -0.0017403900000000,  0.0020930900000000 ]  - [  -0.0001645900000000, -0.0000124100000000,  0.0009940600000000 ]  - [   0.0052925500000000, -0.0168113100000000,  0.0120086500000000 ]  - [   0.0025534400000000, -0.0002168900000000,  0.0017894300000000 ]  - [   0.0027720000000000, -0.0023010500000000,  0.0022381800000000 ]  - [   0.0001710300000000, -0.0005683700000000,  0.0011407600000000 ]  - [  -0.0010888800000000,  0.0023197900000000,  0.0017894300000000 ]  - [   0.0006067700000000,  0.0035511400000000,  0.0022381800000000 ]  - [   0.0119127500000000,  0.0129891400000000,  0.0120086500000000 ]  - [   0.0004067000000000,  0.0004323000000000,  0.0011407600000000 ]  - [  -0.0033787600000000, -0.0012501000000000,  0.0022381800000000 ]  - [  -0.0172053000000000,  0.0038221800000000,  0.0120086500000000 ]  - [  -0.0014645500000000, -0.0021028900000000,  0.0017894300000000 ]  - [  -0.0005777400000000,  0.0001360700000000,  0.0011407600000000 ]  - [   0.0004399900000000,  0.0012280400000000, -0.0017094100000000 ]  - [   0.0006181700000000,  0.0001178800000000, -0.0003263000000000 ]  - [   0.0017834300000000, -0.0006696700000000, -0.0025173300000000 ]  - [  -0.0001112300000000, -0.0002727400000000,  0.0000805600000000 ]  - [  -0.0014716600000000, -0.0012096600000000, -0.0025173300000000 ]  - [   0.0008435200000000, -0.0009950600000000, -0.0017094100000000 ]  - [  -0.0002070000000000, -0.0005942900000000, -0.0003263000000000 ]  - [  -0.0001805800000000,  0.0002327000000000,  0.0000805600000000 ]  - [  -0.0004111700000000,  0.0004764100000000, -0.0003263000000000 ]  - [  -0.0003117700000000,  0.0018793300000000, -0.0025173300000000 ]  - [  -0.0012835100000000, -0.0002329800000000, -0.0017094100000000 ]  - [   0.0002918100000000,  0.0000400400000000,  0.0000805600000000 ]  - [  -0.0005100600000000,  0.0000595800000000, -0.0013949100000000 ]  - [  -0.0004938700000000, -0.0000246400000000, -0.0010759500000000 ]  - [  -0.0003024100000000, -0.0000433800000000, -0.0009365200000000 ]  - [  -0.0003025800000000, -0.0000913100000000, -0.0009462100000000 ]  - [   0.0002034300000000, -0.0004715100000000, -0.0013949100000000 ]  - [   0.0002303700000000, -0.0002163900000000, -0.0009462100000000 ]  - [   0.0002682700000000, -0.0004153900000000, -0.0010759500000000 ]  - [   0.0001887700000000, -0.0002402100000000, -0.0009365200000000 ]  - [   0.0003066300000000,  0.0004119400000000, -0.0013949100000000 ]  - [   0.0001136400000000,  0.0002835800000000, -0.0009365200000000 ]  - [   0.0000722100000000,  0.0003077000000000, -0.0009462100000000 ]  - [   0.0002256000000000,  0.0004400300000000, -0.0010759500000000 ]  - [   0.0009167500000000,  0.0004504000000000, -0.0015300500000000 ]  - [   0.0007238100000000,  0.0003221900000000, -0.0010731300000000 ]  - [   0.0006822100000000,  0.0003458700000000, -0.0010823800000000 ]  - [   0.0008339700000000,  0.0004771400000000, -0.0012105800000000 ]  - [  -0.0000683200000000, -0.0010191300000000, -0.0015300500000000 ]  - [  -0.0000415700000000, -0.0007637400000000, -0.0010823800000000 ]  - [  -0.0000037700000000, -0.0009608100000000, -0.0012105800000000 ]  - [  -0.0000828800000000, -0.0007879400000000, -0.0010731300000000 ]  - [  -0.0008484300000000,  0.0005687300000000, -0.0015300500000000 ]  - [  -0.0008302000000000,  0.0004836700000000, -0.0012105800000000 ]  - [  -0.0006409300000000,  0.0004657400000000, -0.0010731300000000 ]  - [  -0.0006406300000000,  0.0004178700000000, -0.0010823800000000 ]  - [   0.0006348900000000, -0.0004865500000000,  0.0002127600000000 ]  - [  -0.0009440700000000, -0.0007566000000000, -0.0015849200000000 ]  - [   0.0000182200000000,  0.0013434300000000, -0.0023765700000000 ]  - [  -0.0000634400000000, -0.0000516000000000, -0.0001925800000000 ]  - [   0.0011272700000000, -0.0004392900000000, -0.0015849200000000 ]  - [  -0.0011725600000000, -0.0006559300000000, -0.0023765700000000 ]  - [   0.0001039200000000,  0.0007931100000000,  0.0002127600000000 ]  - [   0.0000764000000000, -0.0000291400000000, -0.0001925800000000 ]  - [   0.0011543300000000, -0.0006875000000000, -0.0023765700000000 ]  - [  -0.0007388100000000, -0.0003065500000000,  0.0002127600000000 ]  - [  -0.0001831900000000,  0.0011958900000000, -0.0015849200000000 ]  - [  -0.0000129600000000,  0.0000807400000000, -0.0001925800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1045937800000000 ]  - [   0.0000898300000000,  0.0013105300000000, -0.0063012700000000 ]  - [  -0.0011798700000000, -0.0005774700000000, -0.0063012700000000 ]  - [   0.0010900400000000, -0.0007330600000000, -0.0063012700000000 ]  - [  -0.0000361400000000, -0.0013269400000000,  0.0032466600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022021500000000 ]  - [  -0.0011311000000000,  0.0006947600000000,  0.0032466600000000 ]  - [   0.0011672300000000,  0.0006321800000000,  0.0032466600000000 ]  - [  -0.0011242100000000,  0.0006955800000000,  0.0032458000000000 ]  - [   0.0011645000000000,  0.0006258000000000,  0.0032458000000000 ]  - [  -0.0000402900000000, -0.0013213900000000,  0.0032458000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022049500000000 ]  - [  -0.0036116500000000,  0.0127054400000000,  0.0065866000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016039000000000 ]  - [   0.0128090500000000, -0.0032249400000000,  0.0065866000000000 ]  - [  -0.0091974100000000, -0.0094804900000000,  0.0065866000000000 ]  - [   0.0128472900000000, -0.0032711800000000,  0.0065827600000000 ]  - [  -0.0092565700000000, -0.0094904900000000,  0.0065827600000000 ]  - [  -0.0035907200000000,  0.0127616700000000,  0.0065827600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016113100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049433400000000 ]  - [   0.0001187900000000,  0.0000015200000000,  0.0036981300000000 ]  - [  -0.0000607100000000,  0.0001021200000000,  0.0036981300000000 ]  - [  -0.0000580800000000, -0.0001036400000000,  0.0036981300000000 ]- atom:   85  displacement:    [   0.0099999999999999,  0.0000000010778093,  0.0000000000000000 ]  forces:  - [   0.0019561600000000, -0.0018931200000000, -0.0017840900000000 ]  - [  -0.0006064600000000,  0.0015831800000000,  0.0001058500000000 ]  - [  -0.0048562400000000, -0.0009439900000000,  0.0019733700000000 ]  - [   0.0210178200000000,  0.0288788000000000, -0.0219734600000000 ]  - [   0.0250189000000000, -0.0239374600000000, -0.0196281000000000 ]  - [  -0.0027850400000000, -0.0009485900000000, -0.0002447600000000 ]  - [  -0.0009862900000000,  0.0053051800000000,  0.0016685400000000 ]  - [  -0.0007449300000000, -0.0028099100000000, -0.0011132900000000 ]  - [  -0.0016947800000000,  0.0025595700000000, -0.0010843200000000 ]  - [  -0.0000013000000000, -0.0006937000000000, -0.0000739200000000 ]  - [   0.0703065400000000,  0.0067562000000000,  0.0433301100000000 ]  - [  -0.0062119900000000,  0.0000433800000000, -0.0001148900000000 ]  - [   0.0024816400000000, -0.0019188500000000,  0.0008748600000000 ]  - [  -0.0009169300000000,  0.0000973000000000, -0.0001677500000000 ]  - [  -0.0003697600000000, -0.0003346600000000, -0.0001234900000000 ]  - [   0.0017133700000000, -0.0011170600000000,  0.0018761700000000 ]  - [  -0.0004400600000000, -0.0024489500000000, -0.0033467900000000 ]  - [  -0.0002582900000000,  0.0014866200000000,  0.0023384700000000 ]  - [  -0.0001191200000000, -0.0002661400000000, -0.0002825000000000 ]  - [   0.0003238000000000,  0.0008861600000000,  0.0003272300000000 ]  - [  -0.0005545200000000, -0.0005866200000000,  0.0000450000000000 ]  - [  -0.0014731000000000,  0.0000709500000000,  0.0016908900000000 ]  - [  -0.0011208400000000, -0.0005257900000000,  0.0006067600000000 ]  - [   0.0031107700000000,  0.0021411500000000, -0.0029986600000000 ]  - [   0.0006980400000000,  0.0000016500000000, -0.0004354400000000 ]  - [  -0.0001409000000000, -0.0001469000000000,  0.0003788000000000 ]  - [   0.0003301200000000,  0.0002712000000000, -0.0001601800000000 ]  - [   0.0002450800000000, -0.0001700800000000,  0.0001807200000000 ]  - [  -0.0000564700000000, -0.0003398800000000, -0.0000884200000000 ]  - [  -0.0003022900000000,  0.0000208600000000,  0.0002829600000000 ]  - [  -0.0003859700000000, -0.0001978500000000, -0.0001041500000000 ]  - [   0.0002943400000000, -0.0005029100000000, -0.0003315000000000 ]  - [  -0.0007016000000000,  0.0001828300000000, -0.0006423200000000 ]  - [   0.0004256200000000,  0.0001288500000000,  0.0005898400000000 ]  - [  -0.0001361100000000,  0.0001445400000000,  0.0000818500000000 ]  - [  -0.0004424500000000,  0.0005576900000000, -0.0004713500000000 ]  - [  -0.0001032300000000,  0.0000707400000000, -0.0003489300000000 ]  - [   0.0002071800000000, -0.0003428800000000,  0.0002051700000000 ]  - [   0.0007652300000000, -0.0003562900000000,  0.0007100400000000 ]  - [  -0.0003614500000000, -0.0003042800000000, -0.0005193700000000 ]  - [   0.0005476900000000,  0.0000353200000000, -0.0002145400000000 ]  - [  -0.0001351200000000,  0.0003451700000000,  0.0000179100000000 ]  - [  -0.0000483400000000,  0.0005608300000000,  0.0003996000000000 ]  - [   0.0001958300000000,  0.0002002800000000,  0.0000299200000000 ]  - [  -0.0003429900000000, -0.0002177700000000,  0.0002997400000000 ]  - [  -0.0002603500000000,  0.0002164300000000, -0.0000367400000000 ]  - [  -0.0007277400000000, -0.0001981800000000,  0.0004999600000000 ]  - [   0.0001085500000000, -0.0000474700000000, -0.0003156600000000 ]  - [   0.0037345000000000,  0.0021485200000000, -0.0031390200000000 ]  - [  -0.0004983500000000, -0.0005218300000000,  0.0004753500000000 ]  - [  -0.0008324100000000,  0.0000837300000000,  0.0015373700000000 ]  - [   0.0000712400000000, -0.0005795100000000, -0.0000918000000000 ]  - [   0.0000081300000000,  0.0003388300000000,  0.0001875000000000 ]  - [  -0.0004296800000000, -0.0008153400000000, -0.0004214700000000 ]  - [  -0.0005663800000000,  0.0009385200000000,  0.0021998900000000 ]  - [  -0.0007572900000000, -0.0029991100000000, -0.0034843200000000 ]  - [   0.0013888400000000, -0.0005685200000000,  0.0017255000000000 ]  - [  -0.0006880700000000,  0.0002021300000000, -0.0002592500000000 ]  - [  -0.0012298400000000,  0.0006396800000000, -0.0003008000000000 ]  - [   0.0021440300000000, -0.0013652600000000,  0.0007237000000000 ]  - [  -0.0059320900000000, -0.0005568500000000,  0.0000545600000000 ]  - [   0.0675695800000000,  0.0062162300000000,  0.0406694400000000 ]  - [   0.0003294900000000, -0.0012646100000000,  0.0000610800000000 ]  - [  -0.0013436000000000,  0.0019614700000000, -0.0009300300000000 ]  - [  -0.0004130200000000, -0.0022428100000000, -0.0009765300000000 ]  - [  -0.0006574800000000,  0.0058603000000000,  0.0018068800000000 ]  - [  -0.0024484000000000, -0.0003495000000000, -0.0000919800000000 ]  - [   0.0252356400000000, -0.0239364700000000, -0.0199694100000000 ]  - [   0.0203324000000000,  0.0295173900000000, -0.0223876900000000 ]  - [  -0.0055317800000000, -0.0009478500000000,  0.0021280200000000 ]  - [  -0.0012739200000000,  0.0016062300000000,  0.0002418700000000 ]  - [   0.0012701100000000, -0.0018735200000000, -0.0016354100000000 ]  - [  -0.0059134200000000, -0.0044071600000000, -0.0036170400000000 ]  - [   0.0014687900000000,  0.0003033700000000,  0.0000071000000000 ]  - [   0.0087596000000000, -0.0118699900000000,  0.0128682900000000 ]  - [   0.0079101400000000,  0.0045487800000000, -0.0092032300000000 ]  - [  -0.0008293400000000,  0.0005691200000000, -0.0000011000000000 ]  - [   0.0008997100000000, -0.0001629000000000,  0.0001169700000000 ]  - [   0.0000781200000000, -0.0007315100000000, -0.0000614400000000 ]  - [  -0.0000053700000000,  0.0002655900000000, -0.0000573500000000 ]  - [   0.0078628000000000,  0.0045929400000000, -0.0092435300000000 ]  - [   0.0087434800000000, -0.0118216200000000,  0.0127845300000000 ]  - [   0.0014658700000000,  0.0002859800000000, -0.0000061100000000 ]  - [  -0.0058852500000000, -0.0043621900000000, -0.0035820900000000 ]  - [  -0.2488277400000000,  0.0000004200000000, -0.0000426900000000 ]  - [   0.0176659700000000,  0.0026644700000000, -0.0000421300000000 ]  - [   0.0054668300000000, -0.0097066900000000, -0.0015341700000000 ]  - [   0.0008530800000000,  0.0070405500000000,  0.0015799800000000 ]  - [  -0.0012488200000000,  0.0022032300000000,  0.0024912000000000 ]  - [   0.0014736400000000, -0.0006308400000000, -0.0026278100000000 ]  - [   0.0012931400000000, -0.0000055400000000,  0.0000054900000000 ]  - [  -0.0023478500000000, -0.0015640600000000,  0.0001416700000000 ]  - [  -0.0023421700000000, -0.0015653900000000,  0.0001432000000000 ]  - [   0.0012924900000000,  0.0000043800000000, -0.0000032200000000 ]  - [   0.0014612300000000, -0.0006400100000000, -0.0026307200000000 ]  - [  -0.0012386200000000,  0.0022016500000000,  0.0024816200000000 ]- atom:   85  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0027381700000000, -0.0026056600000000,  0.0040043400000000 ]  - [   0.0004656700000000, -0.0006900600000000,  0.0018474400000000 ]  - [  -0.0024314300000000, -0.0009359000000000,  0.0031199900000000 ]  - [  -0.0190406100000000, -0.0423016400000000,  0.0385965900000000 ]  - [  -0.0271139900000000,  0.0376404800000000,  0.0385965900000000 ]  - [  -0.0008304500000000, -0.0000582500000000,  0.0018474400000000 ]  - [  -0.0008874900000000,  0.0036741500000000,  0.0040043400000000 ]  - [   0.0004052000000000,  0.0025736300000000,  0.0031199900000000 ]  - [   0.0020262300000000, -0.0016377300000000,  0.0031199900000000 ]  - [   0.0003647800000000,  0.0007483200000000,  0.0018474400000000 ]  - [   0.0461546000000000,  0.0046611700000000,  0.0385965900000000 ]  - [   0.0036256500000000, -0.0010684900000000,  0.0040043400000000 ]  - [  -0.0024552300000000, -0.0008483100000000, -0.0035615500000000 ]  - [   0.0009494200000000, -0.0005998300000000,  0.0000290400000000 ]  - [  -0.0001243300000000, -0.0004358300000000, -0.0002872800000000 ]  - [  -0.0005947000000000,  0.0011708800000000, -0.0021205800000000 ]  - [  -0.0007166600000000, -0.0011004700000000, -0.0021205800000000 ]  - [   0.0019622700000000, -0.0017021400000000, -0.0035615500000000 ]  - [   0.0004396000000000,  0.0001102400000000, -0.0002872800000000 ]  - [   0.0000447600000000,  0.0011221400000000,  0.0000290400000000 ]  - [  -0.0009941800000000, -0.0005223100000000,  0.0000290400000000 ]  - [   0.0013113700000000, -0.0000704100000000, -0.0021205800000000 ]  - [  -0.0003152700000000,  0.0003255800000000, -0.0002872800000000 ]  - [   0.0004929600000000,  0.0025504500000000, -0.0035615500000000 ]  - [   0.0009633600000000,  0.0007154300000000, -0.0020866600000000 ]  - [   0.0012523800000000,  0.0005899500000000, -0.0017341000000000 ]  - [   0.0007564300000000,  0.0003567500000000, -0.0012986700000000 ]  - [   0.0008257300000000,  0.0005614800000000, -0.0014401500000000 ]  - [  -0.0001152800000000, -0.0013795700000000, -0.0017341000000000 ]  - [   0.0000733900000000, -0.0009958400000000, -0.0014401500000000 ]  - [  -0.0000692600000000, -0.0008334600000000, -0.0012986700000000 ]  - [   0.0001378900000000, -0.0011920100000000, -0.0020866600000000 ]  - [  -0.0008991200000000,  0.0004343600000000, -0.0014401500000000 ]  - [  -0.0011012600000000,  0.0004765800000000, -0.0020866600000000 ]  - [  -0.0006871700000000,  0.0004767100000000, -0.0012986700000000 ]  - [  -0.0011371000000000,  0.0007896200000000, -0.0017341000000000 ]  - [  -0.0007929500000000,  0.0003040600000000, -0.0016082800000000 ]  - [  -0.0003435000000000, -0.0000059700000000, -0.0011749400000000 ]  - [  -0.0007621900000000, -0.0000054300000000, -0.0019627300000000 ]  - [  -0.0005594300000000, -0.0000509100000000, -0.0013181600000000 ]  - [   0.0003857900000000, -0.0006573600000000, -0.0019627300000000 ]  - [   0.0001769200000000, -0.0002944900000000, -0.0011749400000000 ]  - [   0.0003238100000000, -0.0004590300000000, -0.0013181600000000 ]  - [   0.0001331500000000, -0.0008387400000000, -0.0016082800000000 ]  - [   0.0002356300000000,  0.0005099400000000, -0.0013181600000000 ]  - [   0.0001665800000000,  0.0003004600000000, -0.0011749400000000 ]  - [   0.0006598000000000,  0.0005346800000000, -0.0016082800000000 ]  - [   0.0003764000000000,  0.0006627900000000, -0.0019627300000000 ]  - [   0.0011343100000000,  0.0025379400000000, -0.0036941900000000 ]  - [   0.0003106700000000,  0.0003338300000000, -0.0004338500000000 ]  - [   0.0019455000000000, -0.0000553800000000, -0.0022741600000000 ]  - [  -0.0003581400000000, -0.0005110200000000, -0.0001219900000000 ]  - [  -0.0002634900000000,  0.0005656700000000, -0.0001219900000000 ]  - [   0.0001337700000000, -0.0004359700000000, -0.0004338500000000 ]  - [   0.0016307700000000, -0.0022513100000000, -0.0036941900000000 ]  - [  -0.0010207100000000, -0.0016571600000000, -0.0022741600000000 ]  - [  -0.0009247900000000,  0.0017125400000000, -0.0022741600000000 ]  - [  -0.0004444400000000,  0.0001021400000000, -0.0004338500000000 ]  - [   0.0006216300000000, -0.0000546500000000, -0.0001219900000000 ]  - [  -0.0027650800000000, -0.0002866300000000, -0.0036941900000000 ]  - [   0.0039493200000000, -0.0016468000000000,  0.0041351900000000 ]  - [   0.0446152300000000,  0.0041184500000000,  0.0379500900000000 ]  - [   0.0006930800000000,  0.0001737100000000,  0.0019809900000000 ]  - [   0.0023620400000000, -0.0022188600000000,  0.0032605400000000 ]  - [   0.0007405700000000,  0.0031550100000000,  0.0032605400000000 ]  - [  -0.0005484900000000,  0.0042436100000000,  0.0041351900000000 ]  - [  -0.0004969800000000,  0.0005133700000000,  0.0019809900000000 ]  - [  -0.0258743000000000,  0.0365787000000000,  0.0379500900000000 ]  - [  -0.0187409300000000, -0.0406971500000000,  0.0379500900000000 ]  - [  -0.0031026100000000, -0.0009361600000000,  0.0032605400000000 ]  - [  -0.0001961000000000, -0.0006870800000000,  0.0019809900000000 ]  - [  -0.0034008300000000, -0.0025968100000000,  0.0041351900000000 ]  - [   0.0030007600000000,  0.0129999200000000,  0.0065734300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016167400000000 ]  - [   0.0097578800000000, -0.0090986900000000,  0.0065734300000000 ]  - [  -0.0127586400000000, -0.0039012200000000,  0.0065734300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049432500000000 ]  - [  -0.0001703700000000, -0.0002191900000000,  0.0036973100000000 ]  - [   0.0002750100000000, -0.0000379500000000,  0.0036973100000000 ]  - [  -0.0001046400000000,  0.0002571400000000,  0.0036973100000000 ]  - [  -0.0127220900000000, -0.0038665500000000,  0.0065975600000000 ]  - [   0.0097095700000000, -0.0090843800000000,  0.0065975600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015972600000000 ]  - [   0.0030125200000000,  0.0129509300000000,  0.0065975600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2707098500000000 ]  - [  -0.0000432300000000,  0.0018004200000000, -0.0121263900000000 ]  - [  -0.0015375900000000, -0.0009376500000000, -0.0121263900000000 ]  - [   0.0015808200000000, -0.0008627700000000, -0.0121263900000000 ]  - [   0.0024989800000000,  0.0016033500000000,  0.0063309700000000 ]  - [  -0.0026380300000000,  0.0013625100000000,  0.0063309700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036798700000000 ]  - [   0.0001390500000000, -0.0029658500000000,  0.0063309700000000 ]  - [   0.0001473100000000, -0.0029447300000000,  0.0063250200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036863500000000 ]  - [  -0.0026238600000000,  0.0013447900000000,  0.0063250200000000 ]  - [   0.0024765500000000,  0.0015999400000000,  0.0063250200000000 ]