# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/651d2fde-4af1-438e-ad0d-33d60f2419d1/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 La2S3 / Pnma (62) / materials id 7475](https://mdr.nims.go.jp/datasets/af0e7cdc-29c9-4465-b42f-51dd79e436fe)

## 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,   1 ]primitive_cell:  lattice:  - [     7.486113760000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.115294270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.637644780000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.870949430000000,  0.250000000000000,  0.067213110000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.129050570000000,  0.750000000000000,  0.932786890000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.370949430000000,  0.250000000000000,  0.432786890000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.629050570000000,  0.750000000000000,  0.567213110000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.644803060000000,  0.250000000000000,  0.279997100000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.355196940000000,  0.750000000000000,  0.720002900000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.144803060000000,  0.250000000000000,  0.220002900000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.855196940000000,  0.750000000000000,  0.779997100000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.991528420000000,  0.750000000000000,  0.389709790000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.008471580000000,  0.250000000000000,  0.610290210000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.491528420000000,  0.750000000000000,  0.110290210000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.508471580000000,  0.250000000000000,  0.889709790000000 ]    mass: 32.065000  - symbol: La # 13    coordinates: [  0.644452870000000,  0.250000000000000,  0.704801420000000 ]    mass: 138.905470  - symbol: La # 14    coordinates: [  0.355547130000000,  0.750000000000000,  0.295198580000000 ]    mass: 138.905470  - symbol: La # 15    coordinates: [  0.144452870000000,  0.250000000000000,  0.795198580000000 ]    mass: 138.905470  - symbol: La # 16    coordinates: [  0.855547130000000,  0.750000000000000,  0.204801420000000 ]    mass: 138.905470  - symbol: La # 17    coordinates: [  0.264157150000000,  0.250000000000000,  0.044043080000000 ]    mass: 138.905470  - symbol: La # 18    coordinates: [  0.735842850000000,  0.750000000000000,  0.955956920000000 ]    mass: 138.905470  - symbol: La # 19    coordinates: [  0.764157150000000,  0.250000000000000,  0.455956920000000 ]    mass: 138.905470  - symbol: La # 20    coordinates: [  0.235842850000000,  0.750000000000000,  0.544043080000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.133580657743037,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.242995988716987,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.063948248861553 ] # c*unit_cell:  lattice:  - [     7.486113760000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.115294270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.637644780000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.870949430000000,  0.250000000000000,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.129050570000000,  0.750000000000000,  0.932786890000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.370949430000000,  0.250000000000000,  0.432786890000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.629050570000000,  0.750000000000000,  0.567213110000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.644803060000000,  0.250000000000000,  0.279997100000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.355196940000000,  0.750000000000000,  0.720002900000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.144803060000000,  0.250000000000000,  0.220002900000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.855196940000000,  0.750000000000000,  0.779997100000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.991528420000000,  0.750000000000000,  0.389709790000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.008471580000000,  0.250000000000000,  0.610290210000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.491528420000000,  0.750000000000000,  0.110290210000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.508471580000000,  0.250000000000000,  0.889709790000000 ]    mass: 32.065000    reduced_to: 12  - symbol: La # 13    coordinates: [  0.644452870000000,  0.250000000000000,  0.704801420000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 14    coordinates: [  0.355547130000000,  0.750000000000000,  0.295198580000000 ]    mass: 138.905470    reduced_to: 14  - symbol: La # 15    coordinates: [  0.144452870000000,  0.250000000000000,  0.795198580000000 ]    mass: 138.905470    reduced_to: 15  - symbol: La # 16    coordinates: [  0.855547130000000,  0.750000000000000,  0.204801420000000 ]    mass: 138.905470    reduced_to: 16  - symbol: La # 17    coordinates: [  0.264157150000000,  0.250000000000000,  0.044043080000000 ]    mass: 138.905470    reduced_to: 17  - symbol: La # 18    coordinates: [  0.735842850000000,  0.750000000000000,  0.955956920000000 ]    mass: 138.905470    reduced_to: 18  - symbol: La # 19    coordinates: [  0.764157150000000,  0.250000000000000,  0.455956920000000 ]    mass: 138.905470    reduced_to: 19  - symbol: La # 20    coordinates: [  0.235842850000000,  0.750000000000000,  0.544043080000000 ]    mass: 138.905470    reduced_to: 20supercell:  lattice:  - [    14.972227520000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.345882809999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.637644780000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.435474715000000,  0.083333333333333,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.935474715000000,  0.083333333333333,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.435474715000000,  0.416666666666667,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.935474715000000,  0.416666666666667,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.435474715000000,  0.750000000000000,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.935474715000000,  0.750000000000000,  0.067213110000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.064525285000000,  0.250000000000000,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.564525285000000,  0.250000000000000,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 9    coordinates: [  0.064525285000000,  0.583333333333333,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 10    coordinates: [  0.564525285000000,  0.583333333333333,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 11    coordinates: [  0.064525285000000,  0.916666666666667,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 12    coordinates: [  0.564525285000000,  0.916666666666667,  0.932786890000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 13    coordinates: [  0.185474715000000,  0.083333333333333,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.685474715000000,  0.083333333333333,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.185474715000000,  0.416666666666667,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 16    coordinates: [  0.685474715000000,  0.416666666666667,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 17    coordinates: [  0.185474715000000,  0.750000000000000,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 18    coordinates: [  0.685474715000000,  0.750000000000000,  0.432786890000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 19    coordinates: [  0.314525285000000,  0.250000000000000,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.814525285000000,  0.250000000000000,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 21    coordinates: [  0.314525285000000,  0.583333333333333,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 22    coordinates: [  0.814525285000000,  0.583333333333333,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 23    coordinates: [  0.314525285000000,  0.916666666666667,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 24    coordinates: [  0.814525285000000,  0.916666666666667,  0.567213110000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 25    coordinates: [  0.322401530000000,  0.083333333333333,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.822401530000000,  0.083333333333333,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 27    coordinates: [  0.322401530000000,  0.416666666666667,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 28    coordinates: [  0.822401530000000,  0.416666666666667,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 29    coordinates: [  0.322401530000000,  0.750000000000000,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 30    coordinates: [  0.822401530000000,  0.750000000000000,  0.279997100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 31    coordinates: [  0.177598470000000,  0.250000000000000,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.677598470000000,  0.250000000000000,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 33    coordinates: [  0.177598470000000,  0.583333333333333,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 34    coordinates: [  0.677598470000000,  0.583333333333333,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 35    coordinates: [  0.177598470000000,  0.916666666666667,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 36    coordinates: [  0.677598470000000,  0.916666666666667,  0.720002900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 37    coordinates: [  0.072401530000000,  0.083333333333333,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.572401530000000,  0.083333333333333,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.072401530000000,  0.416666666666667,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.572401530000000,  0.416666666666667,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 41    coordinates: [  0.072401530000000,  0.750000000000000,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 42    coordinates: [  0.572401530000000,  0.750000000000000,  0.220002900000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 43    coordinates: [  0.427598470000000,  0.250000000000000,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.927598470000000,  0.250000000000000,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.427598470000000,  0.583333333333333,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 46    coordinates: [  0.927598470000000,  0.583333333333333,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 47    coordinates: [  0.427598470000000,  0.916666666666667,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 48    coordinates: [  0.927598470000000,  0.916666666666667,  0.779997100000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 49    coordinates: [  0.495764210000000,  0.250000000000000,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.995764210000000,  0.250000000000000,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.495764210000000,  0.583333333333333,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 52    coordinates: [  0.995764210000000,  0.583333333333333,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 53    coordinates: [  0.495764210000000,  0.916666666666667,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 54    coordinates: [  0.995764210000000,  0.916666666666667,  0.389709790000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 55    coordinates: [  0.004235790000000,  0.083333333333333,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.504235790000000,  0.083333333333333,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.004235790000000,  0.416666666666667,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 58    coordinates: [  0.504235790000000,  0.416666666666667,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 59    coordinates: [  0.004235790000000,  0.750000000000000,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 60    coordinates: [  0.504235790000000,  0.750000000000000,  0.610290210000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 61    coordinates: [  0.245764210000000,  0.250000000000000,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.745764210000000,  0.250000000000000,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 63    coordinates: [  0.245764210000000,  0.583333333333333,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 64    coordinates: [  0.745764210000000,  0.583333333333333,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 65    coordinates: [  0.245764210000000,  0.916666666666667,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 66    coordinates: [  0.745764210000000,  0.916666666666667,  0.110290210000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 67    coordinates: [  0.254235790000000,  0.083333333333333,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.754235790000000,  0.083333333333333,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 69    coordinates: [  0.254235790000000,  0.416666666666667,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 70    coordinates: [  0.754235790000000,  0.416666666666667,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 71    coordinates: [  0.254235790000000,  0.750000000000000,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 72    coordinates: [  0.754235790000000,  0.750000000000000,  0.889709790000000 ]    mass: 32.065000    reduced_to: 67  - symbol: La # 73    coordinates: [  0.322226435000000,  0.083333333333333,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 74    coordinates: [  0.822226435000000,  0.083333333333333,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 75    coordinates: [  0.322226435000000,  0.416666666666667,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 76    coordinates: [  0.822226435000000,  0.416666666666667,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 77    coordinates: [  0.322226435000000,  0.750000000000000,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 78    coordinates: [  0.822226435000000,  0.750000000000000,  0.704801420000000 ]    mass: 138.905470    reduced_to: 73  - symbol: La # 79    coordinates: [  0.177773565000000,  0.250000000000000,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 80    coordinates: [  0.677773565000000,  0.250000000000000,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 81    coordinates: [  0.177773565000000,  0.583333333333333,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 82    coordinates: [  0.677773565000000,  0.583333333333333,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 83    coordinates: [  0.177773565000000,  0.916666666666667,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 84    coordinates: [  0.677773565000000,  0.916666666666667,  0.295198580000000 ]    mass: 138.905470    reduced_to: 79  - symbol: La # 85    coordinates: [  0.072226435000000,  0.083333333333333,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 86    coordinates: [  0.572226435000000,  0.083333333333333,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 87    coordinates: [  0.072226435000000,  0.416666666666667,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 88    coordinates: [  0.572226435000000,  0.416666666666667,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 89    coordinates: [  0.072226435000000,  0.750000000000000,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 90    coordinates: [  0.572226435000000,  0.750000000000000,  0.795198580000000 ]    mass: 138.905470    reduced_to: 85  - symbol: La # 91    coordinates: [  0.427773565000000,  0.250000000000000,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 92    coordinates: [  0.927773565000000,  0.250000000000000,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 93    coordinates: [  0.427773565000000,  0.583333333333333,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 94    coordinates: [  0.927773565000000,  0.583333333333333,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 95    coordinates: [  0.427773565000000,  0.916666666666667,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 96    coordinates: [  0.927773565000000,  0.916666666666667,  0.204801420000000 ]    mass: 138.905470    reduced_to: 91  - symbol: La # 97    coordinates: [  0.132078575000000,  0.083333333333333,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 98    coordinates: [  0.632078575000000,  0.083333333333333,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 99    coordinates: [  0.132078575000000,  0.416666666666667,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 100    coordinates: [  0.632078575000000,  0.416666666666667,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 101    coordinates: [  0.132078575000000,  0.750000000000000,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 102    coordinates: [  0.632078575000000,  0.750000000000000,  0.044043080000000 ]    mass: 138.905470    reduced_to: 97  - symbol: La # 103    coordinates: [  0.367921425000000,  0.250000000000000,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 104    coordinates: [  0.867921425000000,  0.250000000000000,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 105    coordinates: [  0.367921425000000,  0.583333333333333,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 106    coordinates: [  0.867921425000000,  0.583333333333333,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 107    coordinates: [  0.367921425000000,  0.916666666666667,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 108    coordinates: [  0.867921425000000,  0.916666666666667,  0.955956920000000 ]    mass: 138.905470    reduced_to: 103  - symbol: La # 109    coordinates: [  0.382078575000000,  0.083333333333333,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 110    coordinates: [  0.882078575000000,  0.083333333333333,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 111    coordinates: [  0.382078575000000,  0.416666666666667,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 112    coordinates: [  0.882078575000000,  0.416666666666667,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 113    coordinates: [  0.382078575000000,  0.750000000000000,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 114    coordinates: [  0.882078575000000,  0.750000000000000,  0.455956920000000 ]    mass: 138.905470    reduced_to: 109  - symbol: La # 115    coordinates: [  0.117921425000000,  0.250000000000000,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115  - symbol: La # 116    coordinates: [  0.617921425000000,  0.250000000000000,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115  - symbol: La # 117    coordinates: [  0.117921425000000,  0.583333333333333,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115  - symbol: La # 118    coordinates: [  0.617921425000000,  0.583333333333333,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115  - symbol: La # 119    coordinates: [  0.117921425000000,  0.916666666666667,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115  - symbol: La # 120    coordinates: [  0.617921425000000,  0.916666666666667,  0.544043080000000 ]    mass: 138.905470    reduced_to: 115born_effective_charge:- # 1 (S)  - [ -2.192375310000000,  0.000000000000000, -0.255518390000000 ]  - [  0.000000000000000, -3.180798640000000,  0.000000000000000 ]  - [ -0.355714380000000,  0.000000000000000, -2.984049820000000 ]- # 2 (S)  - [ -2.192375310000000,  0.000000000000000, -0.255518390000000 ]  - [  0.000000000000000, -3.180798640000000,  0.000000000000000 ]  - [ -0.355714380000000,  0.000000000000000, -2.984049820000000 ]- # 3 (S)  - [ -2.192375310000000,  0.000000000000000,  0.255518390000000 ]  - [  0.000000000000000, -3.180798640000000,  0.000000000000000 ]  - [  0.355714380000000,  0.000000000000000, -2.984049820000000 ]- # 4 (S)  - [ -2.192375310000000,  0.000000000000000,  0.255518390000000 ]  - [  0.000000000000000, -3.180798640000000,  0.000000000000000 ]  - [  0.355714380000000,  0.000000000000000, -2.984049820000000 ]- # 5 (S)  - [ -2.649979600000000,  0.000000000000000,  0.320422120000000 ]  - [  0.000000000000000, -3.258553650000000,  0.000000000000000 ]  - [  0.393563770000000,  0.000000000000000, -2.296617300000000 ]- # 6 (S)  - [ -2.649979600000000,  0.000000000000000,  0.320422120000000 ]  - [  0.000000000000000, -3.258553650000000,  0.000000000000000 ]  - [  0.393563770000000,  0.000000000000000, -2.296617300000000 ]- # 7 (S)  - [ -2.649979600000000,  0.000000000000000, -0.320422120000000 ]  - [  0.000000000000000, -3.258553650000000,  0.000000000000000 ]  - [ -0.393563770000000,  0.000000000000000, -2.296617300000000 ]- # 8 (S)  - [ -2.649979600000000,  0.000000000000000, -0.320422120000000 ]  - [  0.000000000000000, -3.258553650000000,  0.000000000000000 ]  - [ -0.393563770000000,  0.000000000000000, -2.296617300000000 ]- # 9 (S)  - [ -2.967954510000000,  0.000000000000000,  0.001752710000000 ]  - [  0.000000000000000, -2.269276870000000,  0.000000000000000 ]  - [  0.350573790000000,  0.000000000000000, -3.027919910000000 ]- # 10 (S)  - [ -2.967954510000000,  0.000000000000000,  0.001752710000000 ]  - [  0.000000000000000, -2.269276870000000,  0.000000000000000 ]  - [  0.350573790000000,  0.000000000000000, -3.027919910000000 ]- # 11 (S)  - [ -2.967954510000000,  0.000000000000000, -0.001752710000000 ]  - [  0.000000000000000, -2.269276870000000,  0.000000000000000 ]  - [ -0.350573790000000,  0.000000000000000, -3.027919910000000 ]- # 12 (S)  - [ -2.967954510000000,  0.000000000000000, -0.001752710000000 ]  - [  0.000000000000000, -2.269276870000000,  0.000000000000000 ]  - [ -0.350573790000000,  0.000000000000000, -3.027919910000000 ]- # 13 (La)  - [  3.827677250000000,  0.000000000000000, -0.029688830000000 ]  - [  0.000000000000000,  4.702952510000000,  0.000000000000000 ]  - [ -0.149955840000000,  0.000000000000000,  4.085319100000000 ]- # 14 (La)  - [  3.827677250000000,  0.000000000000000, -0.029688830000000 ]  - [  0.000000000000000,  4.702952510000000,  0.000000000000000 ]  - [ -0.149955840000000,  0.000000000000000,  4.085319100000000 ]- # 15 (La)  - [  3.827677250000000,  0.000000000000000,  0.029688830000000 ]  - [  0.000000000000000,  4.702952510000000,  0.000000000000000 ]  - [  0.149955840000000,  0.000000000000000,  4.085319100000000 ]- # 16 (La)  - [  3.827677250000000,  0.000000000000000,  0.029688830000000 ]  - [  0.000000000000000,  4.702952510000000,  0.000000000000000 ]  - [  0.149955840000000,  0.000000000000000,  4.085319100000000 ]- # 17 (La)  - [  3.982632170000000,  0.000000000000000, -0.025268100000000 ]  - [  0.000000000000000,  4.005676650000000,  0.000000000000000 ]  - [  0.280139040000000,  0.000000000000000,  4.223267930000000 ]- # 18 (La)  - [  3.982632170000000,  0.000000000000000, -0.025268100000000 ]  - [  0.000000000000000,  4.005676650000000,  0.000000000000000 ]  - [  0.280139040000000,  0.000000000000000,  4.223267930000000 ]- # 19 (La)  - [  3.982632170000000,  0.000000000000000,  0.025268100000000 ]  - [  0.000000000000000,  4.005676650000000,  0.000000000000000 ]  - [ -0.280139040000000,  0.000000000000000,  4.223267930000000 ]- # 20 (La)  - [  3.982632170000000,  0.000000000000000,  0.025268100000000 ]  - [  0.000000000000000,  4.005676650000000,  0.000000000000000 ]  - [ -0.280139040000000,  0.000000000000000,  4.223267930000000 ]dielectric_constant:  - [  7.919734850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  8.017358840000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.456095420000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0506258300000000,  0.0000000000000000, -0.0084828400000000 ]  - [   0.0000145000000000,  0.0000000000000000,  0.0018491000000000 ]  - [  -0.0013827800000000, -0.0003501600000000,  0.0012601000000000 ]  - [  -0.0000596800000000,  0.0001768200000000,  0.0018321900000000 ]  - [  -0.0013827800000000,  0.0003501600000000,  0.0012601000000000 ]  - [  -0.0000596800000000, -0.0001768200000000,  0.0018321900000000 ]  - [   0.0010988600000000, -0.0001280200000000, -0.0016479700000000 ]  - [   0.0000213200000000,  0.0037922700000000, -0.0052946500000000 ]  - [   0.0011442300000000,  0.0000000000000000, -0.0015673400000000 ]  - [   0.0002552300000000,  0.0000000000000000, -0.0019008200000000 ]  - [   0.0010988600000000,  0.0001280200000000, -0.0016479700000000 ]  - [   0.0000213200000000, -0.0037922700000000, -0.0052946500000000 ]  - [  -0.0003199300000000,  0.0000000000000000, -0.0022592200000000 ]  - [  -0.0003223500000000,  0.0000000000000000, -0.0009381200000000 ]  - [  -0.0005776000000000, -0.0000837500000000, -0.0019241200000000 ]  - [  -0.0005789600000000,  0.0001796200000000, -0.0016245900000000 ]  - [  -0.0005776000000000,  0.0000837500000000, -0.0019241200000000 ]  - [  -0.0005789600000000, -0.0001796200000000, -0.0016245900000000 ]  - [   0.0004587200000000, -0.0000836100000000,  0.0019763500000000 ]  - [   0.0007105800000000,  0.0001629500000000,  0.0018211100000000 ]  - [   0.0004552700000000,  0.0000000000000000,  0.0019808200000000 ]  - [   0.0006699900000000,  0.0000000000000000,  0.0018535500000000 ]  - [   0.0004587200000000,  0.0000836100000000,  0.0019763500000000 ]  - [   0.0007105800000000, -0.0001629500000000,  0.0018211100000000 ]  - [  -0.0006593400000000,  0.0000000000000000,  0.0057254400000000 ]  - [  -0.0002910500000000,  0.0000000000000000,  0.0079740300000000 ]  - [  -0.0012009800000000,  0.0001386300000000,  0.0078633900000000 ]  - [  -0.0003907700000000,  0.0003341200000000,  0.0079928400000000 ]  - [  -0.0012009800000000, -0.0001386300000000,  0.0078633900000000 ]  - [  -0.0003907700000000, -0.0003341200000000,  0.0079928400000000 ]  - [   0.0008377800000000, -0.0002407100000000, -0.0075977600000000 ]  - [   0.0008009200000000,  0.0001130200000000, -0.0081281000000000 ]  - [   0.0008303600000000,  0.0000000000000000, -0.0076876900000000 ]  - [   0.0009340600000000,  0.0000000000000000, -0.0079608600000000 ]  - [   0.0008377800000000,  0.0002407100000000, -0.0075977600000000 ]  - [   0.0008009200000000, -0.0001130200000000, -0.0081281000000000 ]  - [  -0.0002622400000000,  0.0000000000000000, -0.0080169600000000 ]  - [   0.0050840800000000,  0.0000000000000000,  0.0024416500000000 ]  - [  -0.0002517800000000, -0.0003553000000000, -0.0080538800000000 ]  - [  -0.0013253400000000,  0.0004086500000000, -0.0078953500000000 ]  - [  -0.0002517800000000,  0.0003553000000000, -0.0080538800000000 ]  - [  -0.0013253400000000, -0.0004086500000000, -0.0078953500000000 ]  - [  -0.0001018700000000, -0.0000176400000000,  0.0085452100000000 ]  - [   0.0012641300000000,  0.0000730600000000,  0.0078624400000000 ]  - [   0.0003917100000000,  0.0000000000000000,  0.0078555600000000 ]  - [   0.0011340500000000,  0.0000000000000000,  0.0079415600000000 ]  - [  -0.0001018700000000,  0.0000176400000000,  0.0085452100000000 ]  - [   0.0012641300000000, -0.0000730600000000,  0.0078624400000000 ]  - [  -0.0000017400000000,  0.0000011800000000, -0.0002531500000000 ]  - [   0.0009874900000000,  0.0000209600000000, -0.0002277500000000 ]  - [   0.0003749100000000,  0.0000000000000000, -0.0001655900000000 ]  - [   0.0009193700000000,  0.0000000000000000, -0.0002873100000000 ]  - [  -0.0000017400000000, -0.0000011800000000, -0.0002531500000000 ]  - [   0.0009874900000000, -0.0000209600000000, -0.0002277500000000 ]  - [  -0.0002671000000000,  0.0000000000000000,  0.0003356600000000 ]  - [  -0.0010773300000000,  0.0000000000000000,  0.0002804900000000 ]  - [  -0.0003444100000000, -0.0000150700000000,  0.0003071300000000 ]  - [  -0.0009322900000000,  0.0000066200000000,  0.0002556700000000 ]  - [  -0.0003444100000000,  0.0000150700000000,  0.0003071300000000 ]  - [  -0.0009322900000000, -0.0000066200000000,  0.0002556700000000 ]  - [   0.0054411300000000, -0.0036422900000000, -0.0015808500000000 ]  - [   0.0021400200000000,  0.0021804600000000,  0.0011085800000000 ]  - [   0.0003409100000000,  0.0000000000000000,  0.0000174500000000 ]  - [   0.0008885000000000,  0.0000000000000000,  0.0002372600000000 ]  - [   0.0054411300000000,  0.0036422900000000, -0.0015808500000000 ]  - [   0.0021400200000000, -0.0021804600000000,  0.0011085800000000 ]  - [   0.0015368300000000,  0.0000000000000000,  0.0030141800000000 ]  - [   0.0006784000000000,  0.0000000000000000, -0.0021800100000000 ]  - [   0.0003945600000000, -0.0011260200000000,  0.0004175900000000 ]  - [  -0.0003209300000000,  0.0002057100000000, -0.0003232300000000 ]  - [   0.0003945600000000,  0.0011260200000000,  0.0004175900000000 ]  - [  -0.0003209300000000, -0.0002057100000000, -0.0003232300000000 ]  - [  -0.0012577700000000,  0.0000000000000000, -0.0015416700000000 ]  - [  -0.0023791500000000,  0.0000000000000000, -0.0002001500000000 ]  - [  -0.0015245400000000,  0.0002381800000000, -0.0011699300000000 ]  - [  -0.0021752000000000, -0.0000095400000000, -0.0008222900000000 ]  - [  -0.0015245400000000, -0.0002381800000000, -0.0011699300000000 ]  - [  -0.0021752000000000,  0.0000095400000000, -0.0008222900000000 ]  - [   0.0012139300000000,  0.0000951800000000,  0.0020882900000000 ]  - [   0.0011077700000000, -0.0018738300000000, -0.0002806700000000 ]  - [   0.0019907600000000,  0.0000000000000000,  0.0008515500000000 ]  - [   0.0019617600000000,  0.0000000000000000,  0.0004834400000000 ]  - [   0.0012139300000000, -0.0000951800000000,  0.0020882900000000 ]  - [   0.0011077700000000,  0.0018738300000000, -0.0002806700000000 ]  - [  -0.0030014400000000,  0.0000000000000000,  0.0001109500000000 ]  - [  -0.0012004000000000,  0.0000000000000000,  0.0016235400000000 ]  - [  -0.0023469900000000,  0.0001094300000000,  0.0005235800000000 ]  - [  -0.0014881500000000, -0.0003568600000000,  0.0015202300000000 ]  - [  -0.0023469900000000, -0.0001094300000000,  0.0005235800000000 ]  - [  -0.0014881500000000,  0.0003568600000000,  0.0015202300000000 ]  - [   0.0060258700000000, -0.0004036500000000, -0.0000095900000000 ]  - [   0.0007725700000000, -0.0002024700000000, -0.0010104200000000 ]  - [   0.0023303300000000,  0.0000000000000000, -0.0003497900000000 ]  - [   0.0013237000000000,  0.0000000000000000, -0.0005369800000000 ]  - [   0.0060258700000000,  0.0004036500000000, -0.0000095900000000 ]  - [   0.0007725700000000,  0.0002024700000000, -0.0010104200000000 ]  - [   0.0012627200000000,  0.0000000000000000,  0.0053274700000000 ]  - [   0.0202183800000000,  0.0000000000000000,  0.0046041600000000 ]  - [   0.0025966000000000,  0.0009998400000000,  0.0049971100000000 ]  - [   0.0040732900000000, -0.0011578300000000,  0.0053062800000000 ]  - [   0.0025966000000000, -0.0009998400000000,  0.0049971100000000 ]  - [   0.0040732900000000,  0.0011578300000000,  0.0053062800000000 ]  - [   0.0016565500000000, -0.0031560900000000, -0.0021485800000000 ]  - [  -0.0047982600000000, -0.0003661700000000, -0.0051040200000000 ]  - [  -0.0028181200000000,  0.0000000000000000, -0.0052842900000000 ]  - [  -0.0041673400000000,  0.0000000000000000, -0.0053831200000000 ]  - [   0.0016565500000000,  0.0031560900000000, -0.0021485800000000 ]  - [  -0.0047982600000000,  0.0003661700000000, -0.0051040200000000 ]  - [   0.0042272600000000,  0.0000000000000000, -0.0051103100000000 ]  - [   0.0030382100000000,  0.0000000000000000, -0.0055925500000000 ]  - [   0.0039797900000000,  0.0000415500000000, -0.0054023700000000 ]  - [   0.0033616500000000, -0.0000094900000000, -0.0054629400000000 ]  - [   0.0039797900000000, -0.0000415500000000, -0.0054023700000000 ]  - [   0.0033616500000000,  0.0000094900000000, -0.0054629400000000 ]  - [  -0.0039167800000000,  0.0000486000000000,  0.0052687900000000 ]  - [  -0.0033045500000000, -0.0002074800000000,  0.0051660500000000 ]  - [  -0.0037447300000000,  0.0000000000000000,  0.0053131900000000 ]  - [  -0.0034512900000000,  0.0000000000000000,  0.0053232200000000 ]  - [  -0.0039167800000000, -0.0000486000000000,  0.0052687900000000 ]  - [  -0.0033045500000000,  0.0002074800000000,  0.0051660500000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0484955100000000,  0.0000000000000000,  0.0123461700000000 ]  - [  -0.0011391100000000,  0.0000000000000000,  0.0018217700000000 ]  - [   0.0002446000000000,  0.0003499100000000,  0.0024281900000000 ]  - [  -0.0010724800000000, -0.0001687000000000,  0.0018534700000000 ]  - [   0.0002446000000000, -0.0003499100000000,  0.0024281900000000 ]  - [  -0.0010724800000000,  0.0001687000000000,  0.0018534700000000 ]  - [   0.0000396400000000,  0.0001215300000000, -0.0020350600000000 ]  - [   0.0011009700000000, -0.0037688000000000,  0.0015982700000000 ]  - [  -0.0000118900000000,  0.0000000000000000, -0.0021029700000000 ]  - [   0.0008715200000000,  0.0000000000000000, -0.0017692900000000 ]  - [   0.0000396400000000, -0.0001215300000000, -0.0020350600000000 ]  - [   0.0011009700000000,  0.0037688000000000,  0.0015982700000000 ]  - [  -0.0008055600000000,  0.0000000000000000, -0.0014166600000000 ]  - [  -0.0008081900000000,  0.0000000000000000, -0.0027281000000000 ]  - [  -0.0005556000000000,  0.0000897000000000, -0.0017637600000000 ]  - [  -0.0005574600000000, -0.0001730800000000, -0.0020608000000000 ]  - [  -0.0005556000000000, -0.0000897000000000, -0.0017637600000000 ]  - [  -0.0005574600000000,  0.0001730800000000, -0.0020608000000000 ]  - [   0.0006766400000000,  0.0000773300000000,  0.0017068200000000 ]  - [   0.0004236500000000, -0.0001676300000000,  0.0018638400000000 ]  - [   0.0006750000000000,  0.0000000000000000,  0.0016880200000000 ]  - [   0.0004592200000000,  0.0000000000000000,  0.0018162300000000 ]  - [   0.0006766400000000, -0.0000773300000000,  0.0017068200000000 ]  - [   0.0004236500000000,  0.0001676300000000,  0.0018638400000000 ]  - [  -0.0009790300000000,  0.0000000000000000,  0.0100125500000000 ]  - [  -0.0013574800000000,  0.0000000000000000,  0.0077674700000000 ]  - [  -0.0004319900000000, -0.0001451100000000,  0.0078755300000000 ]  - [  -0.0012503500000000, -0.0003274300000000,  0.0077535900000000 ]  - [  -0.0004319900000000,  0.0001451100000000,  0.0078755300000000 ]  - [  -0.0012503500000000,  0.0003274300000000,  0.0077535900000000 ]  - [   0.0008037200000000,  0.0002384600000000, -0.0081481600000000 ]  - [   0.0008383600000000, -0.0001162500000000, -0.0076169600000000 ]  - [   0.0008182700000000,  0.0000000000000000, -0.0080512800000000 ]  - [   0.0007138200000000,  0.0000000000000000, -0.0077803100000000 ]  - [   0.0008037200000000, -0.0002384600000000, -0.0081481600000000 ]  - [   0.0008383600000000,  0.0001162500000000, -0.0076169600000000 ]  - [  -0.0013816800000000,  0.0000000000000000, -0.0077219500000000 ]  - [  -0.0067135100000000,  0.0000000000000000, -0.0180793100000000 ]  - [  -0.0013873900000000,  0.0003605500000000, -0.0076890400000000 ]  - [  -0.0003268900000000, -0.0004079100000000, -0.0078499000000000 ]  - [  -0.0013873900000000, -0.0003605500000000, -0.0076890400000000 ]  - [  -0.0003268900000000,  0.0004079100000000, -0.0078499000000000 ]  - [   0.0017402100000000,  0.0000141900000000,  0.0071995900000000 ]  - [   0.0003797200000000, -0.0000754400000000,  0.0078806700000000 ]  - [   0.0012549700000000,  0.0000000000000000,  0.0078838800000000 ]  - [   0.0005152900000000,  0.0000000000000000,  0.0077983300000000 ]  - [   0.0017402100000000, -0.0000141900000000,  0.0071995900000000 ]  - [   0.0003797200000000,  0.0000754400000000,  0.0078806700000000 ]  - [   0.0012423600000000,  0.0000001200000000, -0.0002016700000000 ]  - [   0.0002607100000000, -0.0000196200000000, -0.0002168900000000 ]  - [   0.0008757700000000,  0.0000000000000000, -0.0002767300000000 ]  - [   0.0003352500000000,  0.0000000000000000, -0.0001527400000000 ]  - [   0.0012423600000000, -0.0000001200000000, -0.0002016700000000 ]  - [   0.0002607100000000,  0.0000196200000000, -0.0002168900000000 ]  - [  -0.0009831800000000,  0.0000000000000000,  0.0001028800000000 ]  - [  -0.0001762200000000,  0.0000000000000000,  0.0001574600000000 ]  - [  -0.0009002400000000,  0.0000137200000000,  0.0001371000000000 ]  - [  -0.0003160500000000, -0.0000079800000000,  0.0001879400000000 ]  - [  -0.0009002400000000, -0.0000137200000000,  0.0001371000000000 ]  - [  -0.0003160500000000,  0.0000079800000000,  0.0001879400000000 ]  - [  -0.0042375900000000,  0.0036940900000000,  0.0020537200000000 ]  - [  -0.0008815200000000, -0.0021531100000000, -0.0006474600000000 ]  - [   0.0009143100000000,  0.0000000000000000,  0.0004245900000000 ]  - [   0.0003640200000000,  0.0000000000000000,  0.0002043900000000 ]  - [  -0.0042375900000000, -0.0036940900000000,  0.0020537200000000 ]  - [  -0.0008815200000000,  0.0021531100000000, -0.0006474600000000 ]  - [  -0.0028058500000000,  0.0000000000000000, -0.0034922400000000 ]  - [  -0.0019165300000000,  0.0000000000000000,  0.0017094400000000 ]  - [  -0.0016299200000000,  0.0011154000000000, -0.0008571900000000 ]  - [  -0.0009249900000000, -0.0002054700000000, -0.0001231400000000 ]  - [  -0.0016299200000000, -0.0011154000000000, -0.0008571900000000 ]  - [  -0.0009249900000000,  0.0002054700000000, -0.0001231400000000 ]  - [  -0.0025632800000000,  0.0000000000000000,  0.0003483400000000 ]  - [  -0.0014418700000000,  0.0000000000000000, -0.0009899500000000 ]  - [  -0.0022180900000000, -0.0000379000000000, -0.0005388400000000 ]  - [  -0.0015697600000000,  0.0002107800000000, -0.0008858200000000 ]  - [  -0.0022180900000000,  0.0000379000000000, -0.0005388400000000 ]  - [  -0.0015697600000000, -0.0002107800000000, -0.0008858200000000 ]  - [   0.0025208900000000, -0.0002928600000000, -0.0003819800000000 ]  - [   0.0026399300000000,  0.0016694400000000,  0.0019838400000000 ]  - [   0.0018231200000000,  0.0000000000000000,  0.0003451400000000 ]  - [   0.0018621400000000,  0.0000000000000000,  0.0007138400000000 ]  - [   0.0025208900000000,  0.0002928600000000, -0.0003819800000000 ]  - [   0.0026399300000000, -0.0016694400000000,  0.0019838400000000 ]  - [  -0.0008169300000000,  0.0000000000000000,  0.0010854200000000 ]  - [  -0.0026149200000000,  0.0000000000000000, -0.0004210100000000 ]  - [  -0.0013997800000000,  0.0000898000000000,  0.0011845500000000 ]  - [  -0.0022547300000000,  0.0005586600000000,  0.0001911000000000 ]  - [  -0.0013997800000000, -0.0000898000000000,  0.0011845500000000 ]  - [  -0.0022547300000000, -0.0005586600000000,  0.0001911000000000 ]  - [  -0.0022692800000000,  0.0002054400000000, -0.0017076600000000 ]  - [   0.0029629700000000,  0.0000007600000000, -0.0007030300000000 ]  - [   0.0014921100000000,  0.0000000000000000, -0.0008488600000000 ]  - [   0.0024925500000000,  0.0000000000000000, -0.0006615600000000 ]  - [  -0.0022692800000000, -0.0002054400000000, -0.0017076600000000 ]  - [   0.0029629700000000, -0.0000007600000000, -0.0007030300000000 ]  - [   0.0059668100000000,  0.0000000000000000,  0.0054526200000000 ]  - [  -0.0119909500000000,  0.0000000000000000,  0.0060429900000000 ]  - [   0.0047545400000000, -0.0009024800000000,  0.0057082000000000 ]  - [   0.0032919300000000,  0.0012423300000000,  0.0053963300000000 ]  - [   0.0047545400000000,  0.0009024800000000,  0.0057082000000000 ]  - [   0.0032919300000000, -0.0012423300000000,  0.0053963300000000 ]  - [  -0.0089819000000000,  0.0030990700000000, -0.0086129200000000 ]  - [  -0.0025693900000000,  0.0002651400000000, -0.0055976200000000 ]  - [  -0.0044126600000000,  0.0000000000000000, -0.0055074600000000 ]  - [  -0.0030686900000000,  0.0000000000000000, -0.0054059000000000 ]  - [  -0.0089819000000000, -0.0030990700000000, -0.0086129200000000 ]  - [  -0.0025693900000000, -0.0002651400000000, -0.0055976200000000 ]  - [   0.0030061600000000,  0.0000000000000000, -0.0056696200000000 ]  - [   0.0041922500000000,  0.0000000000000000, -0.0051975200000000 ]  - [   0.0033795700000000,  0.0000560400000000, -0.0052964900000000 ]  - [   0.0039959400000000,  0.0001056800000000, -0.0052409000000000 ]  - [   0.0033795700000000, -0.0000560400000000, -0.0052964900000000 ]  - [   0.0039959400000000, -0.0001056800000000, -0.0052409000000000 ]  - [  -0.0034444800000000, -0.0001447700000000,  0.0054371800000000 ]  - [  -0.0040499300000000,  0.0001106500000000,  0.0055384000000000 ]  - [  -0.0034921500000000,  0.0000000000000000,  0.0054772500000000 ]  - [  -0.0037814400000000,  0.0000000000000000,  0.0054686100000000 ]  - [  -0.0034444800000000,  0.0001447700000000,  0.0054371800000000 ]  - [  -0.0040499300000000, -0.0001106500000000,  0.0055384000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002774100000000, -0.0605292300000000,  0.0020254200000000 ]  - [  -0.0005658900000000, -0.0001480200000000,  0.0018343300000000 ]  - [  -0.0002157500000000,  0.0042828400000000,  0.0022651200000000 ]  - [  -0.0007388700000000,  0.0001192400000000,  0.0017653200000000 ]  - [  -0.0009210300000000,  0.0042540700000000,  0.0014181500000000 ]  - [  -0.0003983500000000,  0.0001145200000000,  0.0019179700000000 ]  - [   0.0004452200000000, -0.0003431200000000, -0.0019644500000000 ]  - [   0.0043619800000000,  0.0023841900000000, -0.0066034000000000 ]  - [   0.0005641100000000,  0.0011175100000000, -0.0018347400000000 ]  - [   0.0005672700000000,  0.0012330600000000, -0.0018353500000000 ]  - [   0.0006897700000000, -0.0003342600000000, -0.0017222500000000 ]  - [  -0.0032043800000000,  0.0024123600000000,  0.0028948700000000 ]  - [  -0.0005660200000000, -0.0003323200000000, -0.0018338100000000 ]  - [  -0.0005651100000000, -0.0003324800000000, -0.0018348700000000 ]  - [  -0.0007419700000000,  0.0001290100000000, -0.0015692000000000 ]  - [  -0.0004778400000000,  0.0001289600000000, -0.0017955300000000 ]  - [  -0.0003947400000000,  0.0001230200000000, -0.0021143800000000 ]  - [  -0.0006568900000000,  0.0001232300000000, -0.0018881300000000 ]  - [   0.0004894600000000, -0.0002087900000000,  0.0017503100000000 ]  - [   0.0007356700000000, -0.0000656600000000,  0.0016656800000000 ]  - [   0.0005648000000000,  0.0005362700000000,  0.0018352000000000 ]  - [   0.0005653800000000,  0.0001457600000000,  0.0018350600000000 ]  - [   0.0006453000000000, -0.0002018800000000,  0.0019369500000000 ]  - [   0.0004000400000000, -0.0000591700000000,  0.0020203400000000 ]  - [  -0.0008262300000000, -0.0033511200000000,  0.0078673000000000 ]  - [  -0.0008227300000000, -0.0001750800000000,  0.0078685100000000 ]  - [  -0.0022061300000000,  0.0022949400000000,  0.0087839500000000 ]  - [  -0.0008121500000000,  0.0000490100000000,  0.0078541600000000 ]  - [   0.0005616000000000,  0.0022855200000000,  0.0069624400000000 ]  - [  -0.0008262600000000,  0.0000467700000000,  0.0078870600000000 ]  - [   0.0007611500000000, -0.0002760500000000, -0.0078844400000000 ]  - [   0.0010379300000000, -0.0002145000000000, -0.0082697400000000 ]  - [   0.0008232700000000,  0.0005493100000000, -0.0078691200000000 ]  - [   0.0008243100000000,  0.0005525100000000, -0.0078691600000000 ]  - [   0.0008796100000000, -0.0002665800000000, -0.0078559500000000 ]  - [   0.0006044100000000, -0.0002092000000000, -0.0074721900000000 ]  - [  -0.0008244700000000, -0.0007047600000000, -0.0078701100000000 ]  - [  -0.0008223800000000, -0.0042517900000000, -0.0078844200000000 ]  - [  -0.0011607300000000,  0.0005381700000000, -0.0076297600000000 ]  - [   0.0004091300000000,  0.0011539500000000, -0.0073278900000000 ]  - [  -0.0004815700000000,  0.0005337000000000, -0.0081144400000000 ]  - [  -0.0020377600000000,  0.0011453000000000, -0.0084153500000000 ]  - [   0.0013368800000000, -0.0005802900000000,  0.0059816600000000 ]  - [   0.0007685300000000, -0.0001083100000000,  0.0077930600000000 ]  - [   0.0008247600000000,  0.0007292900000000,  0.0078686600000000 ]  - [   0.0008234600000000,  0.0002398300000000,  0.0078690400000000 ]  - [   0.0003107100000000, -0.0005696300000000,  0.0097584600000000 ]  - [   0.0008714700000000, -0.0001022400000000,  0.0079504300000000 ]  - [   0.0010985800000000, -0.0003116100000000,  0.0013775900000000 ]  - [   0.0005391000000000, -0.0000576900000000, -0.0002190700000000 ]  - [   0.0006271600000000,  0.0004225200000000, -0.0002190800000000 ]  - [   0.0006260000000000,  0.0001417800000000, -0.0002202100000000 ]  - [   0.0001525700000000, -0.0003117200000000, -0.0018112600000000 ]  - [   0.0007071700000000, -0.0000593400000000, -0.0002263100000000 ]  - [  -0.0006270400000000, -0.0001412400000000,  0.0002216200000000 ]  - [  -0.0006260900000000, -0.0003897900000000,  0.0002210500000000 ]  - [  -0.0006215900000000,  0.0000562000000000,  0.0001949200000000 ]  - [  -0.0005248900000000,  0.0001685400000000,  0.0000387400000000 ]  - [  -0.0006256300000000,  0.0000586300000000,  0.0002512000000000 ]  - [  -0.0007211400000000,  0.0001699900000000,  0.0004079800000000 ]  - [  -0.0050700500000000,  0.0015390900000000,  0.0015365800000000 ]  - [   0.0008335400000000, -0.0005677400000000,  0.0002824300000000 ]  - [   0.0006239900000000,  0.0008763900000000,  0.0002196400000000 ]  - [   0.0006264200000000,  0.0006031400000000,  0.0002189000000000 ]  - [   0.0062940600000000,  0.0015442600000000, -0.0010935500000000 ]  - [   0.0004044900000000, -0.0005537400000000,  0.0001510300000000 ]  - [  -0.0006120400000000, -0.0031947400000000, -0.0002013400000000 ]  - [  -0.0006314100000000, -0.0003662000000000, -0.0002128000000000 ]  - [  -0.0035239000000000,  0.0036110600000000, -0.0015793500000000 ]  - [  -0.0001095100000000,  0.0003000500000000, -0.0003377200000000 ]  - [   0.0022679000000000,  0.0035970900000000,  0.0011337700000000 ]  - [  -0.0011396000000000,  0.0003046700000000, -0.0001065900000000 ]  - [  -0.0019047100000000,  0.0011053900000000, -0.0006052800000000 ]  - [  -0.0019088600000000,  0.0001881800000000, -0.0006008700000000 ]  - [  -0.0017706100000000, -0.0004168100000000,  0.0000859400000000 ]  - [  -0.0020775500000000, -0.0000185200000000, -0.0004096800000000 ]  - [  -0.0019718900000000, -0.0006199800000000, -0.0017950200000000 ]  - [  -0.0016650600000000, -0.0002208700000000, -0.0013014000000000 ]  - [   0.0023740900000000,  0.0006076300000000, -0.0001204000000000 ]  - [   0.0012890900000000,  0.0005363200000000,  0.0008812300000000 ]  - [   0.0019115400000000, -0.0013765600000000,  0.0005984100000000 ]  - [   0.0019064500000000, -0.0012190100000000,  0.0005975100000000 ]  - [   0.0013724800000000,  0.0008092600000000,  0.0018290100000000 ]  - [   0.0024447800000000,  0.0007334000000000,  0.0008269900000000 ]  - [  -0.0019134000000000,  0.0001160100000000,  0.0005960500000000 ]  - [  -0.0019067800000000,  0.0028769500000000,  0.0005891000000000 ]  - [  -0.0012949100000000,  0.0000871700000000,  0.0010039100000000 ]  - [  -0.0022278000000000, -0.0013598900000000,  0.0016459000000000 ]  - [  -0.0024452600000000, -0.0001164300000000,  0.0007059100000000 ]  - [  -0.0015181100000000, -0.0015662300000000,  0.0000586100000000 ]  - [   0.0025895100000000,  0.0080243500000000,  0.0017852400000000 ]  - [   0.0019033000000000,  0.0001829900000000, -0.0011778800000000 ]  - [   0.0019084800000000, -0.0032162800000000, -0.0006021700000000 ]  - [   0.0019087500000000, -0.0005811900000000, -0.0005984100000000 ]  - [   0.0011341200000000,  0.0079813900000000, -0.0031896700000000 ]  - [   0.0018430500000000,  0.0003837800000000, -0.0005273000000000 ]  - [   0.0036091100000000,  0.0023725700000000,  0.0053983900000000 ]  - [   0.0036197200000000,  0.0059546700000000,  0.0054055000000000 ]  - [   0.0049989700000000, -0.0012372900000000,  0.0056532900000000 ]  - [   0.0020799100000000, -0.0012538500000000,  0.0051148800000000 ]  - [   0.0023627200000000, -0.0013349300000000,  0.0050483300000000 ]  - [   0.0052709500000000, -0.0013602300000000,  0.0055979300000000 ]  - [  -0.0062928500000000,  0.0134910200000000, -0.0137483100000000 ]  - [  -0.0039229400000000,  0.0001795500000000, -0.0052854900000000 ]  - [  -0.0036163000000000, -0.0038941900000000, -0.0053908100000000 ]  - [  -0.0036153300000000, -0.0005268000000000, -0.0053934000000000 ]  - [  -0.0013373400000000,  0.0131063400000000,  0.0025733400000000 ]  - [  -0.0034297600000000,  0.0002734200000000, -0.0054170600000000 ]  - [   0.0036167600000000,  0.0006981400000000, -0.0053944700000000 ]  - [   0.0036161700000000,  0.0001062500000000, -0.0053940400000000 ]  - [   0.0036713000000000, -0.0003071800000000, -0.0057704800000000 ]  - [   0.0035667300000000, -0.0000134700000000, -0.0053666300000000 ]  - [   0.0036880800000000, -0.0004035300000000, -0.0049338500000000 ]  - [   0.0037909700000000, -0.0001097200000000, -0.0053351000000000 ]  - [  -0.0036177900000000,  0.0001566100000000,  0.0052737100000000 ]  - [  -0.0039343400000000,  0.0001776400000000,  0.0053103900000000 ]  - [  -0.0036156300000000, -0.0003704400000000,  0.0053934100000000 ]  - [  -0.0036169900000000, -0.0004484100000000,  0.0053934400000000 ]  - [  -0.0037376600000000,  0.0002526500000000,  0.0054241100000000 ]  - [  -0.0034247900000000,  0.0002726900000000,  0.0053882500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0108592000000000,  0.0000000000000000, -0.0616251400000000 ]  - [  -0.0005514300000000,  0.0000000000000000,  0.0014528600000000 ]  - [  -0.0011489900000000, -0.0004285300000000, -0.0008009700000000 ]  - [  -0.0005782600000000,  0.0000707600000000,  0.0013896800000000 ]  - [  -0.0011489900000000,  0.0004285300000000, -0.0008009700000000 ]  - [  -0.0005782600000000, -0.0000707600000000,  0.0013896800000000 ]  - [   0.0007594800000000, -0.0001159600000000, -0.0021381000000000 ]  - [  -0.0028617500000000, -0.0047278200000000,  0.0000633400000000 ]  - [   0.0008316600000000,  0.0000000000000000, -0.0021067600000000 ]  - [   0.0004985300000000,  0.0000000000000000, -0.0020437700000000 ]  - [   0.0007594800000000,  0.0001159600000000, -0.0021381000000000 ]  - [  -0.0028617500000000,  0.0047278200000000,  0.0000633400000000 ]  - [  -0.0014605400000000,  0.0000000000000000, -0.0005270300000000 ]  - [  -0.0001431900000000,  0.0000000000000000, -0.0005264900000000 ]  - [  -0.0007845300000000,  0.0000419100000000, -0.0013891500000000 ]  - [  -0.0004862600000000,  0.0002677000000000, -0.0013886200000000 ]  - [  -0.0007845300000000, -0.0000419100000000, -0.0013891500000000 ]  - [  -0.0004862600000000, -0.0002677000000000, -0.0013886200000000 ]  - [   0.0004320300000000,  0.0000983700000000,  0.0027268300000000 ]  - [   0.0005877700000000,  0.0001822600000000,  0.0022501500000000 ]  - [   0.0004180100000000,  0.0000000000000000,  0.0025045000000000 ]  - [   0.0005450900000000,  0.0000000000000000,  0.0022029300000000 ]  - [   0.0004320300000000, -0.0000983700000000,  0.0027268300000000 ]  - [   0.0005877700000000, -0.0001822600000000,  0.0022501500000000 ]  - [  -0.0037104500000000,  0.0000000000000000,  0.0128474900000000 ]  - [  -0.0000712100000000,  0.0000000000000000,  0.0078046400000000 ]  - [  -0.0025187600000000,  0.0020867800000000,  0.0085287600000000 ]  - [  -0.0004019800000000,  0.0001965300000000,  0.0078020100000000 ]  - [  -0.0025187600000000, -0.0020867800000000,  0.0085287600000000 ]  - [  -0.0004019800000000, -0.0001965300000000,  0.0078020100000000 ]  - [   0.0009112300000000, -0.0002149500000000, -0.0073867400000000 ]  - [   0.0005414000000000, -0.0000104900000000, -0.0073192200000000 ]  - [   0.0009274100000000,  0.0000000000000000, -0.0074063400000000 ]  - [   0.0005613300000000,  0.0000000000000000, -0.0075059600000000 ]  - [   0.0009112300000000,  0.0002149500000000, -0.0073867400000000 ]  - [   0.0005414000000000,  0.0000104900000000, -0.0073192200000000 ]  - [  -0.0010034300000000,  0.0000000000000000, -0.0082554100000000 ]  - [   0.0107504200000000,  0.0000000000000000,  0.0018467000000000 ]  - [  -0.0010293400000000,  0.0001138800000000, -0.0082205400000000 ]  - [  -0.0000285900000000,  0.0013835400000000, -0.0083819400000000 ]  - [  -0.0010293400000000, -0.0001138800000000, -0.0082205400000000 ]  - [  -0.0000285900000000, -0.0013835400000000, -0.0083819400000000 ]  - [   0.0005511500000000, -0.0002095300000000,  0.0093787200000000 ]  - [   0.0009095200000000,  0.0000107900000000,  0.0079105100000000 ]  - [   0.0008376100000000,  0.0000000000000000,  0.0079906300000000 ]  - [   0.0008629700000000,  0.0000000000000000,  0.0079514100000000 ]  - [   0.0005511500000000,  0.0002095300000000,  0.0093787200000000 ]  - [   0.0009095200000000, -0.0000107900000000,  0.0079105100000000 ]  - [   0.0009877400000000,  0.0001527900000000,  0.0014255000000000 ]  - [   0.0005771900000000,  0.0001015700000000, -0.0001027100000000 ]  - [   0.0006332700000000,  0.0000000000000000,  0.0001711100000000 ]  - [   0.0005795400000000,  0.0000000000000000, -0.0000691800000000 ]  - [   0.0009877400000000, -0.0001527900000000,  0.0014255000000000 ]  - [   0.0005771900000000, -0.0001015700000000, -0.0001027100000000 ]  - [  -0.0007163600000000,  0.0000000000000000,  0.0008365400000000 ]  - [  -0.0007852900000000,  0.0000000000000000,  0.0013271400000000 ]  - [  -0.0006460200000000,  0.0000328800000000,  0.0006763700000000 ]  - [  -0.0007565400000000,  0.0000047000000000,  0.0010110800000000 ]  - [  -0.0006460200000000, -0.0000328800000000,  0.0006763700000000 ]  - [  -0.0007565400000000, -0.0000047000000000,  0.0010110800000000 ]  - [  -0.0003673100000000,  0.0001764200000000, -0.0022130200000000 ]  - [   0.0006668800000000, -0.0000962100000000, -0.0007914100000000 ]  - [   0.0005825500000000,  0.0000000000000000, -0.0005286100000000 ]  - [   0.0005236100000000,  0.0000000000000000, -0.0003934300000000 ]  - [  -0.0003673100000000, -0.0001764200000000, -0.0022130200000000 ]  - [   0.0006668800000000,  0.0000962100000000, -0.0007914100000000 ]  - [   0.0028021900000000,  0.0000000000000000,  0.0019642200000000 ]  - [  -0.0009385900000000,  0.0000000000000000, -0.0003125900000000 ]  - [   0.0019651600000000, -0.0022596300000000,  0.0007884200000000 ]  - [  -0.0012466600000000, -0.0002361900000000, -0.0002561100000000 ]  - [   0.0019651600000000,  0.0022596300000000,  0.0007884200000000 ]  - [  -0.0012466600000000,  0.0002361900000000, -0.0002561100000000 ]  - [  -0.0019441200000000,  0.0000000000000000, -0.0024349300000000 ]  - [  -0.0018025300000000,  0.0000000000000000, -0.0010839600000000 ]  - [  -0.0018752800000000,  0.0004387300000000, -0.0019370900000000 ]  - [  -0.0017305000000000,  0.0000566400000000, -0.0013596200000000 ]  - [  -0.0018752800000000, -0.0004387300000000, -0.0019370900000000 ]  - [  -0.0017305000000000, -0.0000566400000000, -0.0013596200000000 ]  - [   0.0032604200000000, -0.0007968200000000,  0.0010177300000000 ]  - [  -0.0001049600000000, -0.0024126200000000, -0.0000384500000000 ]  - [   0.0025453400000000,  0.0000000000000000,  0.0008278600000000 ]  - [   0.0014873900000000,  0.0000000000000000,  0.0004887100000000 ]  - [   0.0032604200000000,  0.0007968200000000,  0.0010177300000000 ]  - [  -0.0001049600000000,  0.0024126200000000, -0.0000384500000000 ]  - [  -0.0029281800000000,  0.0000000000000000, -0.0000308600000000 ]  - [  -0.0005571800000000,  0.0000000000000000, -0.0013662100000000 ]  - [  -0.0024662100000000,  0.0000039300000000,  0.0004390700000000 ]  - [  -0.0016146500000000,  0.0009118800000000, -0.0002033500000000 ]  - [  -0.0024662100000000, -0.0000039300000000,  0.0004390700000000 ]  - [  -0.0016146500000000, -0.0009118800000000, -0.0002033500000000 ]  - [   0.0037686000000000,  0.0014462700000000,  0.0086705200000000 ]  - [   0.0017694500000000, -0.0002935700000000, -0.0003966900000000 ]  - [   0.0017110000000000,  0.0000000000000000,  0.0005506400000000 ]  - [   0.0019447700000000,  0.0000000000000000, -0.0002048200000000 ]  - [   0.0037686000000000, -0.0014462700000000,  0.0086705200000000 ]  - [   0.0017694500000000,  0.0002935700000000, -0.0003966900000000 ]  - [   0.0030800900000000,  0.0000000000000000,  0.0070009100000000 ]  - [   0.0023463300000000,  0.0000000000000000,  0.0119645500000000 ]  - [   0.0034859500000000, -0.0001011100000000,  0.0064998200000000 ]  - [   0.0039691900000000,  0.0007243500000000,  0.0072547600000000 ]  - [   0.0034859500000000,  0.0001011100000000,  0.0064998200000000 ]  - [   0.0039691900000000, -0.0007243500000000,  0.0072547600000000 ]  - [  -0.0015328900000000, -0.0069468500000000,  0.0050080700000000 ]  - [  -0.0035639600000000, -0.0001133600000000, -0.0048443200000000 ]  - [  -0.0029546900000000,  0.0000000000000000, -0.0045325400000000 ]  - [  -0.0034682500000000,  0.0000000000000000, -0.0048694500000000 ]  - [  -0.0015328900000000,  0.0069468500000000,  0.0050080700000000 ]  - [  -0.0035639600000000,  0.0001133600000000, -0.0048443200000000 ]  - [   0.0035351300000000,  0.0000000000000000, -0.0077111200000000 ]  - [   0.0032381500000000,  0.0000000000000000, -0.0058947700000000 ]  - [   0.0039283300000000, -0.0002426000000000, -0.0063939900000000 ]  - [   0.0035824500000000, -0.0000354600000000, -0.0057015200000000 ]  - [   0.0039283300000000,  0.0002426000000000, -0.0063939900000000 ]  - [   0.0035824500000000,  0.0000354600000000, -0.0057015200000000 ]  - [  -0.0034461500000000, -0.0003234900000000,  0.0044356100000000 ]  - [  -0.0036411000000000, -0.0003581400000000,  0.0041370800000000 ]  - [  -0.0035108700000000,  0.0000000000000000,  0.0047206800000000 ]  - [  -0.0034834000000000,  0.0000000000000000,  0.0046748600000000 ]  - [  -0.0034461500000000,  0.0003234900000000,  0.0044356100000000 ]  - [  -0.0036411000000000,  0.0003581400000000,  0.0041370800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0099718600000000,  0.0000000000000000,  0.0648171200000000 ]  - [  -0.0005790300000000,  0.0000000000000000,  0.0022159500000000 ]  - [   0.0000183600000000,  0.0004339700000000,  0.0044854800000000 ]  - [  -0.0005572600000000, -0.0000664200000000,  0.0022948700000000 ]  - [   0.0000183600000000, -0.0004339700000000,  0.0044854800000000 ]  - [  -0.0005572600000000,  0.0000664200000000,  0.0022948700000000 ]  - [   0.0003730900000000,  0.0001108800000000, -0.0015469500000000 ]  - [   0.0040317800000000,  0.0047551100000000, -0.0037343600000000 ]  - [   0.0002971000000000,  0.0000000000000000, -0.0015623300000000 ]  - [   0.0006306200000000,  0.0000000000000000, -0.0016252600000000 ]  - [   0.0003730900000000, -0.0001108800000000, -0.0015469500000000 ]  - [   0.0040317800000000, -0.0047551100000000, -0.0037343600000000 ]  - [   0.0003285400000000,  0.0000000000000000, -0.0031389000000000 ]  - [  -0.0009866100000000,  0.0000000000000000, -0.0031385200000000 ]  - [  -0.0003491900000000, -0.0000351500000000, -0.0022956600000000 ]  - [  -0.0006472800000000, -0.0002620800000000, -0.0022952500000000 ]  - [  -0.0003491900000000,  0.0000351500000000, -0.0022956600000000 ]  - [  -0.0006472800000000,  0.0002620800000000, -0.0022952500000000 ]  - [   0.0007021300000000, -0.0001036200000000,  0.0009585100000000 ]  - [   0.0005454800000000, -0.0001878500000000,  0.0014363100000000 ]  - [   0.0007110800000000,  0.0000000000000000,  0.0011661900000000 ]  - [   0.0005830300000000,  0.0000000000000000,  0.0014675800000000 ]  - [   0.0007021300000000,  0.0001036200000000,  0.0009585100000000 ]  - [   0.0005454800000000,  0.0001878500000000,  0.0014363100000000 ]  - [   0.0020355600000000,  0.0000000000000000,  0.0029511200000000 ]  - [  -0.0015735800000000,  0.0000000000000000,  0.0079340700000000 ]  - [   0.0008670300000000, -0.0020741600000000,  0.0072195600000000 ]  - [  -0.0012382900000000, -0.0001938000000000,  0.0079411800000000 ]  - [   0.0008670300000000,  0.0020741600000000,  0.0072195600000000 ]  - [  -0.0012382900000000,  0.0001938000000000,  0.0079411800000000 ]  - [   0.0007303600000000,  0.0002106800000000, -0.0083578500000000 ]  - [   0.0011001200000000,  0.0000047700000000, -0.0084219800000000 ]  - [   0.0007206100000000,  0.0000000000000000, -0.0083334600000000 ]  - [   0.0010860400000000,  0.0000000000000000, -0.0082333800000000 ]  - [   0.0007303600000000, -0.0002106800000000, -0.0083578500000000 ]  - [   0.0011001200000000, -0.0000047700000000, -0.0084219800000000 ]  - [  -0.0006459000000000,  0.0000000000000000, -0.0074863800000000 ]  - [  -0.0122545300000000,  0.0000000000000000, -0.0174862100000000 ]  - [  -0.0006117400000000, -0.0001088600000000, -0.0075256700000000 ]  - [  -0.0016086400000000, -0.0013772300000000, -0.0073647000000000 ]  - [  -0.0006117400000000,  0.0001088600000000, -0.0075256700000000 ]  - [  -0.0016086400000000,  0.0013772300000000, -0.0073647000000000 ]  - [   0.0010941300000000,  0.0002078700000000,  0.0063636200000000 ]  - [   0.0007302400000000, -0.0000165300000000,  0.0078352500000000 ]  - [   0.0008124700000000,  0.0000000000000000,  0.0077504300000000 ]  - [   0.0007846300000000,  0.0000000000000000,  0.0077893400000000 ]  - [   0.0010941300000000, -0.0002078700000000,  0.0063636200000000 ]  - [   0.0007302400000000,  0.0000165300000000,  0.0078352500000000 ]  - [   0.0002579500000000, -0.0001524100000000, -0.0018735500000000 ]  - [   0.0006679000000000, -0.0000999100000000, -0.0003429300000000 ]  - [   0.0006197800000000,  0.0000000000000000, -0.0006109400000000 ]  - [   0.0006714000000000,  0.0000000000000000, -0.0003718200000000 ]  - [   0.0002579500000000,  0.0001524100000000, -0.0018735500000000 ]  - [   0.0006679000000000,  0.0000999100000000, -0.0003429300000000 ]  - [  -0.0005381200000000,  0.0000000000000000, -0.0003949800000000 ]  - [  -0.0004661100000000,  0.0000000000000000, -0.0008862800000000 ]  - [  -0.0006006800000000, -0.0000346000000000, -0.0002308300000000 ]  - [  -0.0004887900000000, -0.0000062500000000, -0.0005656700000000 ]  - [  -0.0006006800000000,  0.0000346000000000, -0.0002308300000000 ]  - [  -0.0004887900000000,  0.0000062500000000, -0.0005656700000000 ]  - [   0.0016229400000000, -0.0001898300000000,  0.0026522900000000 ]  - [   0.0005667700000000,  0.0000798300000000,  0.0012258300000000 ]  - [   0.0006694700000000,  0.0000000000000000,  0.0009681900000000 ]  - [   0.0007292300000000,  0.0000000000000000,  0.0008326700000000 ]  - [   0.0016229400000000,  0.0001898300000000,  0.0026522900000000 ]  - [   0.0005667700000000, -0.0000798300000000,  0.0012258300000000 ]  - [  -0.0040702600000000,  0.0000000000000000, -0.0024101300000000 ]  - [  -0.0003248600000000,  0.0000000000000000, -0.0001084200000000 ]  - [  -0.0032177500000000,  0.0022658000000000, -0.0012381300000000 ]  - [   0.0000031900000000,  0.0002340900000000, -0.0001882500000000 ]  - [  -0.0032177500000000, -0.0022658000000000, -0.0012381300000000 ]  - [   0.0000031900000000, -0.0002340900000000, -0.0001882500000000 ]  - [  -0.0018729700000000,  0.0000000000000000,  0.0012394900000000 ]  - [  -0.0020135100000000,  0.0000000000000000, -0.0001198900000000 ]  - [  -0.0018686500000000, -0.0002394900000000,  0.0002277600000000 ]  - [  -0.0020125200000000,  0.0001460800000000, -0.0003509100000000 ]  - [  -0.0018686500000000,  0.0002394900000000,  0.0002277600000000 ]  - [  -0.0020125200000000, -0.0001460800000000, -0.0003509100000000 ]  - [   0.0004883800000000,  0.0005923500000000,  0.0006976100000000 ]  - [   0.0038404300000000,  0.0022069400000000,  0.0017489100000000 ]  - [   0.0012764000000000,  0.0000000000000000,  0.0003723600000000 ]  - [   0.0023291200000000,  0.0000000000000000,  0.0007090200000000 ]  - [   0.0004883800000000, -0.0005923500000000,  0.0006976100000000 ]  - [   0.0038404300000000, -0.0022069400000000,  0.0017489100000000 ]  - [  -0.0008891000000000,  0.0000000000000000,  0.0012297400000000 ]  - [  -0.0032849300000000,  0.0000000000000000,  0.0025700900000000 ]  - [  -0.0012760600000000,  0.0001972400000000,  0.0012706700000000 ]  - [  -0.0021302500000000, -0.0007066500000000,  0.0019104700000000 ]  - [  -0.0012760600000000, -0.0001972400000000,  0.0012706700000000 ]  - [  -0.0021302500000000,  0.0007066500000000,  0.0019104700000000 ]  - [  -0.0000311100000000, -0.0013089000000000, -0.0100515800000000 ]  - [   0.0019774500000000,  0.0000898200000000, -0.0013083200000000 ]  - [   0.0021079100000000,  0.0000000000000000, -0.0017453900000000 ]  - [   0.0018742500000000,  0.0000000000000000, -0.0009928600000000 ]  - [  -0.0000311100000000,  0.0013089000000000, -0.0100515800000000 ]  - [   0.0019774500000000, -0.0000898200000000, -0.0013083200000000 ]  - [   0.0041492300000000,  0.0000000000000000,  0.0037877500000000 ]  - [   0.0048997700000000,  0.0000000000000000, -0.0011559800000000 ]  - [   0.0038707900000000,  0.0001989400000000,  0.0042028400000000 ]  - [   0.0033876900000000, -0.0006211800000000,  0.0034481700000000 ]  - [   0.0038707900000000, -0.0001989400000000,  0.0042028400000000 ]  - [   0.0033876900000000,  0.0006211800000000,  0.0034481700000000 ]  - [  -0.0060096500000000,  0.0071714500000000, -0.0158977700000000 ]  - [  -0.0037879900000000,  0.0000207300000000, -0.0058616200000000 ]  - [  -0.0042781200000000,  0.0000000000000000, -0.0062593300000000 ]  - [  -0.0037652000000000,  0.0000000000000000, -0.0059220200000000 ]  - [  -0.0060096500000000, -0.0071714500000000, -0.0158977700000000 ]  - [  -0.0037879900000000, -0.0000207300000000, -0.0058616200000000 ]  - [   0.0036915500000000,  0.0000000000000000, -0.0030793600000000 ]  - [   0.0039925400000000,  0.0000000000000000, -0.0048964000000000 ]  - [   0.0034291900000000,  0.0003392400000000, -0.0043108000000000 ]  - [   0.0037754900000000,  0.0001309200000000, -0.0050013000000000 ]  - [   0.0034291900000000, -0.0003392400000000, -0.0043108000000000 ]  - [   0.0037754900000000, -0.0001309200000000, -0.0050013000000000 ]  - [  -0.0039093700000000,  0.0002253900000000,  0.0062663500000000 ]  - [  -0.0037148500000000,  0.0002616400000000,  0.0065648400000000 ]  - [  -0.0037208700000000,  0.0000000000000000,  0.0060691000000000 ]  - [  -0.0037501200000000,  0.0000000000000000,  0.0061150900000000 ]  - [  -0.0039093700000000, -0.0002253900000000,  0.0062663500000000 ]  - [  -0.0037148500000000, -0.0002616400000000,  0.0065648400000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004117500000000,  0.0000000000000000, -0.0010327500000000 ]  - [  -0.0000332600000000,  0.0000000000000000,  0.0025828400000000 ]  - [  -0.0009533700000000,  0.0013842000000000,  0.0001467300000000 ]  - [  -0.0001391800000000, -0.0000069400000000,  0.0022588700000000 ]  - [  -0.0009533700000000, -0.0013842000000000,  0.0001467300000000 ]  - [  -0.0001391800000000,  0.0000069400000000,  0.0022588700000000 ]  - [   0.0005868500000000, -0.0000587900000000, -0.0017517700000000 ]  - [   0.0005493600000000,  0.0002162600000000, -0.0021217700000000 ]  - [   0.0005727000000000,  0.0000000000000000, -0.0017309400000000 ]  - [   0.0006758200000000,  0.0000000000000000, -0.0020969100000000 ]  - [   0.0005868500000000,  0.0000587900000000, -0.0017517700000000 ]  - [   0.0005493600000000, -0.0002162600000000, -0.0021217700000000 ]  - [   0.0053128300000000,  0.0000000000000000, -0.0132840300000000 ]  - [  -0.0000084800000000,  0.0000000000000000, -0.0016540800000000 ]  - [  -0.0010661700000000, -0.0012215300000000, -0.0026292500000000 ]  - [  -0.0000024300000000,  0.0003384100000000, -0.0016323700000000 ]  - [  -0.0010661700000000,  0.0012215300000000, -0.0026292500000000 ]  - [  -0.0000024300000000, -0.0003384100000000, -0.0016323700000000 ]  - [  -0.0003493600000000,  0.0005082700000000,  0.0021096100000000 ]  - [   0.0010098300000000, -0.0000509900000000,  0.0017529700000000 ]  - [   0.0001354900000000,  0.0000000000000000,  0.0018222400000000 ]  - [   0.0008749000000000,  0.0000000000000000,  0.0017953500000000 ]  - [  -0.0003493600000000, -0.0005082700000000,  0.0021096100000000 ]  - [   0.0010098300000000,  0.0000509900000000,  0.0017529700000000 ]  - [  -0.0612065200000000,  0.0000000000000000,  0.0211115400000000 ]  - [   0.0003271100000000,  0.0000000000000000,  0.0077998000000000 ]  - [  -0.0029999700000000,  0.0004334400000000,  0.0086163200000000 ]  - [  -0.0000049300000000, -0.0000081600000000,  0.0077115800000000 ]  - [  -0.0029999700000000, -0.0004334400000000,  0.0086163200000000 ]  - [  -0.0000049300000000,  0.0000081600000000,  0.0077115800000000 ]  - [   0.0004937000000000, -0.0000398400000000, -0.0080848200000000 ]  - [   0.0010670800000000,  0.0000742100000000, -0.0077507300000000 ]  - [   0.0006613000000000,  0.0000000000000000, -0.0079396300000000 ]  - [   0.0010005200000000,  0.0000000000000000, -0.0078865300000000 ]  - [   0.0004937000000000,  0.0000398400000000, -0.0080848200000000 ]  - [   0.0010670800000000, -0.0000742100000000, -0.0077507300000000 ]  - [   0.0032766500000000,  0.0000000000000000, -0.0065554500000000 ]  - [   0.0033369800000000,  0.0000000000000000, -0.0086645300000000 ]  - [   0.0003286600000000, -0.0022802100000000, -0.0064895700000000 ]  - [   0.0003292700000000,  0.0013007900000000, -0.0077758400000000 ]  - [   0.0003286600000000,  0.0022802100000000, -0.0064895700000000 ]  - [   0.0003292700000000, -0.0013007900000000, -0.0077758400000000 ]  - [   0.0006259500000000,  0.0000337200000000,  0.0077774900000000 ]  - [   0.0009220100000000, -0.0000853500000000,  0.0078141900000000 ]  - [   0.0006798000000000,  0.0000000000000000,  0.0077614100000000 ]  - [   0.0008856500000000,  0.0000000000000000,  0.0078173900000000 ]  - [   0.0006259500000000, -0.0000337200000000,  0.0077774900000000 ]  - [   0.0009220100000000,  0.0000853500000000,  0.0078141900000000 ]  - [   0.0024971700000000,  0.0022974200000000,  0.0026092500000000 ]  - [   0.0017883700000000, -0.0000977600000000, -0.0008413400000000 ]  - [   0.0004022100000000,  0.0000000000000000, -0.0000392300000000 ]  - [   0.0010166600000000,  0.0000000000000000, -0.0004050500000000 ]  - [   0.0024971700000000, -0.0022974200000000,  0.0026092500000000 ]  - [   0.0017883700000000,  0.0000977600000000, -0.0008413400000000 ]  - [   0.0002748600000000,  0.0000000000000000, -0.0006349700000000 ]  - [  -0.0001904100000000,  0.0000000000000000,  0.0010152700000000 ]  - [  -0.0000704300000000, -0.0001465800000000, -0.0001152500000000 ]  - [  -0.0007874400000000,  0.0001069300000000,  0.0004127500000000 ]  - [  -0.0000704300000000,  0.0001465800000000, -0.0001152500000000 ]  - [  -0.0007874400000000, -0.0001069300000000,  0.0004127500000000 ]  - [  -0.0010701800000000, -0.0013295900000000,  0.0026430700000000 ]  - [   0.0013507500000000,  0.0002296800000000,  0.0000098300000000 ]  - [  -0.0000819300000000,  0.0000000000000000,  0.0003894500000000 ]  - [   0.0011849300000000,  0.0000000000000000,  0.0001345000000000 ]  - [  -0.0010701800000000,  0.0013295900000000,  0.0026430700000000 ]  - [   0.0013507500000000, -0.0002296800000000,  0.0000098300000000 ]  - [  -0.0011550300000000,  0.0000000000000000, -0.0002414400000000 ]  - [  -0.0001045700000000,  0.0000000000000000, -0.0003154800000000 ]  - [  -0.0011469200000000, -0.0000796700000000, -0.0002345600000000 ]  - [  -0.0002055200000000, -0.0000234600000000, -0.0002548800000000 ]  - [  -0.0011469200000000,  0.0000796700000000, -0.0002345600000000 ]  - [  -0.0002055200000000,  0.0000234600000000, -0.0002548800000000 ]  - [  -0.0013654200000000,  0.0000000000000000, -0.0004843800000000 ]  - [  -0.0024344300000000,  0.0000000000000000, -0.0004270300000000 ]  - [  -0.0015333400000000,  0.0001029300000000, -0.0007771700000000 ]  - [  -0.0022015800000000,  0.0001181900000000, -0.0007519200000000 ]  - [  -0.0015333400000000, -0.0001029300000000, -0.0007771700000000 ]  - [  -0.0022015800000000, -0.0001181900000000, -0.0007519200000000 ]  - [   0.0095991400000000, -0.0014130300000000, -0.0014907900000000 ]  - [  -0.0001951500000000, -0.0009520100000000,  0.0003655000000000 ]  - [   0.0029766300000000,  0.0000000000000000,  0.0006576400000000 ]  - [   0.0012479500000000,  0.0000000000000000,  0.0003605900000000 ]  - [   0.0095991400000000,  0.0014130300000000, -0.0014907900000000 ]  - [  -0.0001951500000000,  0.0009520100000000,  0.0003655000000000 ]  - [  -0.0016871100000000,  0.0000000000000000,  0.0008557100000000 ]  - [  -0.0020250900000000,  0.0000000000000000,  0.0006331700000000 ]  - [  -0.0017513300000000,  0.0001544500000000,  0.0009599000000000 ]  - [  -0.0019638500000000,  0.0000486800000000,  0.0010021300000000 ]  - [  -0.0017513300000000, -0.0001544500000000,  0.0009599000000000 ]  - [  -0.0019638500000000, -0.0000486800000000,  0.0010021300000000 ]  - [   0.0137824800000000,  0.0074775400000000, -0.0055714400000000 ]  - [   0.0001575700000000,  0.0005731800000000, -0.0010886100000000 ]  - [   0.0026555400000000,  0.0000000000000000, -0.0009913600000000 ]  - [   0.0007857900000000,  0.0000000000000000, -0.0005000400000000 ]  - [   0.0137824800000000, -0.0074775400000000, -0.0055714400000000 ]  - [   0.0001575700000000, -0.0005731800000000, -0.0010886100000000 ]  - [   0.0039432100000000,  0.0000000000000000,  0.0042154800000000 ]  - [   0.0026008600000000,  0.0000000000000000,  0.0067858700000000 ]  - [   0.0039363300000000,  0.0002576300000000,  0.0046869200000000 ]  - [   0.0031021700000000, -0.0000605500000000,  0.0057740100000000 ]  - [   0.0039363300000000, -0.0002576300000000,  0.0046869200000000 ]  - [   0.0031021700000000,  0.0000605500000000,  0.0057740100000000 ]  - [  -0.0023667800000000, -0.0002918400000000, -0.0050162900000000 ]  - [  -0.0042757800000000,  0.0000675600000000, -0.0055472800000000 ]  - [  -0.0027522800000000,  0.0000000000000000, -0.0050267500000000 ]  - [  -0.0040560600000000,  0.0000000000000000, -0.0055192100000000 ]  - [  -0.0023667800000000,  0.0002918400000000, -0.0050162900000000 ]  - [  -0.0042757800000000, -0.0000675600000000, -0.0055472800000000 ]  - [   0.0114461100000000,  0.0000000000000000, -0.0010834600000000 ]  - [   0.0023082500000000,  0.0000000000000000, -0.0053053800000000 ]  - [   0.0052314200000000, -0.0007019000000000, -0.0056647800000000 ]  - [   0.0027971400000000,  0.0003307300000000, -0.0051606600000000 ]  - [   0.0052314200000000,  0.0007019000000000, -0.0056647800000000 ]  - [   0.0027971400000000, -0.0003307300000000, -0.0051606600000000 ]  - [  -0.0042794900000000,  0.0016947900000000,  0.0072062400000000 ]  - [  -0.0045828900000000, -0.0002381900000000,  0.0044319700000000 ]  - [  -0.0037795900000000,  0.0000000000000000,  0.0058818700000000 ]  - [  -0.0037091800000000,  0.0000000000000000,  0.0051220200000000 ]  - [  -0.0042794900000000, -0.0016947900000000,  0.0072062400000000 ]  - [  -0.0045828900000000,  0.0002381900000000,  0.0044319700000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007294200000000,  0.0000000000000000,  0.0047133300000000 ]  - [  -0.0010972400000000,  0.0000000000000000,  0.0010808300000000 ]  - [  -0.0001821900000000, -0.0013764600000000,  0.0035326700000000 ]  - [  -0.0009963100000000,  0.0000141300000000,  0.0014229100000000 ]  - [  -0.0001821900000000,  0.0013764600000000,  0.0035326700000000 ]  - [  -0.0009963100000000, -0.0000141300000000,  0.0014229100000000 ]  - [   0.0005505900000000,  0.0000527100000000, -0.0019330000000000 ]  - [   0.0005849000000000, -0.0002241000000000, -0.0015634100000000 ]  - [   0.0005581900000000,  0.0000000000000000, -0.0019380700000000 ]  - [   0.0004539200000000,  0.0000000000000000, -0.0015724900000000 ]  - [   0.0005505900000000, -0.0000527100000000, -0.0019330000000000 ]  - [   0.0005849000000000,  0.0002241000000000, -0.0015634100000000 ]  - [  -0.0064829600000000,  0.0000000000000000,  0.0097200400000000 ]  - [  -0.0011257500000000,  0.0000000000000000, -0.0020120500000000 ]  - [  -0.0000655800000000,  0.0012321100000000, -0.0010496600000000 ]  - [  -0.0011357400000000, -0.0003338700000000, -0.0020503700000000 ]  - [  -0.0000655800000000, -0.0012321100000000, -0.0010496600000000 ]  - [  -0.0011357400000000,  0.0003338700000000, -0.0020503700000000 ]  - [   0.0014901100000000, -0.0005248200000000,  0.0015667700000000 ]  - [   0.0001231800000000,  0.0000450500000000,  0.0019325100000000 ]  - [   0.0009962700000000,  0.0000000000000000,  0.0018474300000000 ]  - [   0.0002542100000000,  0.0000000000000000,  0.0018740700000000 ]  - [   0.0014901100000000,  0.0005248200000000,  0.0015667700000000 ]  - [   0.0001231800000000, -0.0000450500000000,  0.0019325100000000 ]  - [   0.0599732000000000,  0.0000000000000000, -0.0052618300000000 ]  - [  -0.0019785100000000,  0.0000000000000000,  0.0079400300000000 ]  - [   0.0013663900000000, -0.0004301200000000,  0.0071273400000000 ]  - [  -0.0016371100000000,  0.0000136000000000,  0.0080329100000000 ]  - [   0.0013663900000000,  0.0004301200000000,  0.0071273400000000 ]  - [  -0.0016371100000000, -0.0000136000000000,  0.0080329100000000 ]  - [   0.0011485900000000,  0.0000354800000000, -0.0076586900000000 ]  - [   0.0005702400000000, -0.0000806400000000, -0.0079935400000000 ]  - [   0.0009864200000000,  0.0000000000000000, -0.0077988800000000 ]  - [   0.0006450800000000,  0.0000000000000000, -0.0078524000000000 ]  - [   0.0011485900000000, -0.0000354800000000, -0.0076586900000000 ]  - [   0.0005702400000000,  0.0000806400000000, -0.0079935400000000 ]  - [  -0.0049879700000000,  0.0000000000000000, -0.0091861300000000 ]  - [  -0.0049278100000000,  0.0000000000000000, -0.0070893800000000 ]  - [  -0.0019740700000000,  0.0022965300000000, -0.0092628300000000 ]  - [  -0.0019735200000000, -0.0012968300000000, -0.0079673700000000 ]  - [  -0.0019740700000000, -0.0022965300000000, -0.0092628300000000 ]  - [  -0.0019735200000000,  0.0012968300000000, -0.0079673700000000 ]  - [   0.0010137500000000, -0.0000393200000000,  0.0079649400000000 ]  - [   0.0007177100000000,  0.0000812700000000,  0.0079292600000000 ]  - [   0.0009665500000000,  0.0000000000000000,  0.0079768700000000 ]  - [   0.0007612900000000,  0.0000000000000000,  0.0079213700000000 ]  - [   0.0010137500000000,  0.0000393200000000,  0.0079649400000000 ]  - [   0.0007177100000000, -0.0000812700000000,  0.0079292600000000 ]  - [  -0.0012539700000000, -0.0022899000000000, -0.0030414100000000 ]  - [  -0.0005426100000000,  0.0000983000000000,  0.0003990700000000 ]  - [   0.0008495000000000,  0.0000000000000000, -0.0004008200000000 ]  - [   0.0002349800000000,  0.0000000000000000, -0.0000343200000000 ]  - [  -0.0012539700000000,  0.0022899000000000, -0.0030414100000000 ]  - [  -0.0005426100000000, -0.0000983000000000,  0.0003990700000000 ]  - [  -0.0015307400000000,  0.0000000000000000,  0.0010795000000000 ]  - [  -0.0010808800000000,  0.0000000000000000, -0.0005962800000000 ]  - [  -0.0011772100000000,  0.0001441300000000,  0.0005624100000000 ]  - [  -0.0004587700000000, -0.0001096700000000,  0.0000321400000000 ]  - [  -0.0011772100000000, -0.0001441300000000,  0.0005624100000000 ]  - [  -0.0004587700000000,  0.0001096700000000,  0.0000321400000000 ]  - [   0.0023236800000000,  0.0013265500000000, -0.0021935800000000 ]  - [  -0.0001061000000000, -0.0002267900000000,  0.0004342700000000 ]  - [   0.0013360900000000,  0.0000000000000000,  0.0000509400000000 ]  - [   0.0000657600000000,  0.0000000000000000,  0.0003059400000000 ]  - [   0.0023236800000000, -0.0013265500000000, -0.0021935800000000 ]  - [  -0.0001061000000000,  0.0002267900000000,  0.0004342700000000 ]  - [  -0.0000956700000000,  0.0000000000000000, -0.0001997300000000 ]  - [  -0.0011503800000000,  0.0000000000000000, -0.0001262000000000 ]  - [  -0.0000977300000000,  0.0000777500000000, -0.0002106100000000 ]  - [  -0.0010421800000000,  0.0000217700000000, -0.0001912500000000 ]  - [  -0.0000977300000000, -0.0000777500000000, -0.0002106100000000 ]  - [  -0.0010421800000000, -0.0000217700000000, -0.0001912500000000 ]  - [  -0.0024563500000000,  0.0000000000000000, -0.0007110700000000 ]  - [  -0.0013797900000000,  0.0000000000000000, -0.0007708900000000 ]  - [  -0.0022092500000000,  0.0001014200000000, -0.0009299200000000 ]  - [  -0.0015382100000000,  0.0000839400000000, -0.0009578400000000 ]  - [  -0.0022092500000000, -0.0001014200000000, -0.0009299200000000 ]  - [  -0.0015382100000000, -0.0000839400000000, -0.0009578400000000 ]  - [  -0.0061547500000000,  0.0015031900000000,  0.0032435400000000 ]  - [   0.0039363900000000,  0.0007417100000000,  0.0013321300000000 ]  - [   0.0008359700000000,  0.0000000000000000,  0.0005408900000000 ]  - [   0.0025714600000000,  0.0000000000000000,  0.0008353200000000 ]  - [  -0.0061547500000000, -0.0015031900000000,  0.0032435400000000 ]  - [   0.0039363900000000, -0.0007417100000000,  0.0013321300000000 ]  - [  -0.0021325300000000,  0.0000000000000000,  0.0003409500000000 ]  - [  -0.0017897100000000,  0.0000000000000000,  0.0005692700000000 ]  - [  -0.0019914500000000,  0.0000476300000000,  0.0007490900000000 ]  - [  -0.0017771200000000,  0.0001551100000000,  0.0007074200000000 ]  - [  -0.0019914500000000, -0.0000476300000000,  0.0007490900000000 ]  - [  -0.0017771200000000, -0.0001551100000000,  0.0007074200000000 ]  - [  -0.0099036700000000, -0.0073716600000000,  0.0036862200000000 ]  - [   0.0035932600000000, -0.0007837600000000, -0.0006191500000000 ]  - [   0.0011614400000000,  0.0000000000000000, -0.0002061300000000 ]  - [   0.0030340600000000,  0.0000000000000000, -0.0006980500000000 ]  - [  -0.0099036700000000,  0.0073716600000000,  0.0036862200000000 ]  - [   0.0035932600000000,  0.0007837600000000, -0.0006191500000000 ]  - [   0.0032821100000000,  0.0000000000000000,  0.0065743900000000 ]  - [   0.0046356400000000,  0.0000000000000000,  0.0040144500000000 ]  - [   0.0034175000000000, -0.0001581500000000,  0.0060182900000000 ]  - [   0.0042578800000000,  0.0001565300000000,  0.0049309500000000 ]  - [   0.0034175000000000,  0.0001581500000000,  0.0060182900000000 ]  - [   0.0042578800000000, -0.0001565300000000,  0.0049309500000000 ]  - [  -0.0049925100000000,  0.0001990000000000, -0.0056901100000000 ]  - [  -0.0030810800000000, -0.0001656300000000, -0.0051538800000000 ]  - [  -0.0044814600000000,  0.0000000000000000, -0.0057638800000000 ]  - [  -0.0031762100000000,  0.0000000000000000, -0.0052694900000000 ]  - [  -0.0049925100000000, -0.0001990000000000, -0.0056901100000000 ]  - [  -0.0030810800000000,  0.0001656300000000, -0.0051538800000000 ]  - [  -0.0042427900000000,  0.0000000000000000, -0.0096247200000000 ]  - [   0.0049306600000000,  0.0000000000000000, -0.0054869800000000 ]  - [   0.0021240100000000,  0.0008055200000000, -0.0050375200000000 ]  - [   0.0045645000000000, -0.0002350800000000, -0.0055452800000000 ]  - [   0.0021240100000000, -0.0008055200000000, -0.0050375200000000 ]  - [   0.0045645000000000,  0.0002350800000000, -0.0055452800000000 ]  - [  -0.0030789800000000, -0.0017947300000000,  0.0034912800000000 ]  - [  -0.0027680600000000,  0.0001472400000000,  0.0062727200000000 ]  - [  -0.0034520400000000,  0.0000000000000000,  0.0049060200000000 ]  - [  -0.0035236100000000,  0.0000000000000000,  0.0056693700000000 ]  - [  -0.0030789800000000,  0.0017947300000000,  0.0034912800000000 ]  - [  -0.0027680600000000, -0.0001472400000000,  0.0062727200000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005769800000000, -0.0033526500000000,  0.0018582400000000 ]  - [  -0.0005655300000000, -0.0001766100000000,  0.0018339200000000 ]  - [  -0.0007081900000000,  0.0022970800000000, -0.0002519100000000 ]  - [  -0.0008962800000000,  0.0000512800000000,  0.0016388100000000 ]  - [  -0.0004296200000000,  0.0022850100000000,  0.0039244300000000 ]  - [  -0.0002400100000000,  0.0000460300000000,  0.0020445900000000 ]  - [   0.0003302200000000, -0.0002740000000000, -0.0020640700000000 ]  - [   0.0006842800000000, -0.0002175900000000, -0.0018580200000000 ]  - [   0.0005650400000000,  0.0005477600000000, -0.0018353300000000 ]  - [   0.0005655400000000,  0.0005509200000000, -0.0018356400000000 ]  - [   0.0008040500000000, -0.0002671000000000, -0.0016229400000000 ]  - [   0.0004497100000000, -0.0002045800000000, -0.0018271800000000 ]  - [  -0.0005436100000000, -0.0042532900000000, -0.0018497400000000 ]  - [  -0.0005664700000000, -0.0007062800000000, -0.0018339200000000 ]  - [  -0.0009732500000000,  0.0011538700000000, -0.0004479700000000 ]  - [  -0.0002085100000000,  0.0005380600000000, -0.0017222500000000 ]  - [  -0.0001621200000000,  0.0011469300000000, -0.0032242100000000 ]  - [  -0.0009296700000000,  0.0005353400000000, -0.0019604800000000 ]  - [   0.0005582100000000, -0.0005844500000000,  0.0020547600000000 ]  - [   0.0006437300000000, -0.0001078900000000,  0.0018374800000000 ]  - [   0.0005656000000000,  0.0007276500000000,  0.0018355300000000 ]  - [   0.0005648300000000,  0.0002381700000000,  0.0018351900000000 ]  - [   0.0005847100000000, -0.0005639200000000,  0.0016218400000000 ]  - [   0.0004900500000000, -0.0001012100000000,  0.0018493300000000 ]  - [  -0.0009772800000000, -0.0589067800000000,  0.0082293900000000 ]  - [  -0.0008252500000000, -0.0004128200000000,  0.0078685900000000 ]  - [  -0.0012564600000000,  0.0049395700000000,  0.0082345400000000 ]  - [  -0.0008129200000000,  0.0002480100000000,  0.0078328700000000 ]  - [  -0.0003860100000000,  0.0049072500000000,  0.0075073100000000 ]  - [  -0.0008277700000000,  0.0002458000000000,  0.0079105100000000 ]  - [   0.0007797700000000, -0.0000605200000000, -0.0078012800000000 ]  - [   0.0008928300000000,  0.0000035000000000, -0.0076131200000000 ]  - [   0.0008236500000000,  0.0001610800000000, -0.0078691900000000 ]  - [   0.0008228900000000,  0.0001198400000000, -0.0078691200000000 ]  - [   0.0008620100000000, -0.0000547600000000, -0.0079437900000000 ]  - [   0.0007448700000000,  0.0000106400000000, -0.0081297700000000 ]  - [  -0.0008206100000000, -0.0029681800000000, -0.0078697000000000 ]  - [  -0.0008340700000000, -0.0029681800000000, -0.0078646300000000 ]  - [  -0.0021244800000000,  0.0027362600000000, -0.0089727700000000 ]  - [   0.0014718600000000,  0.0027390300000000, -0.0075537500000000 ]  - [   0.0004800100000000,  0.0027266400000000, -0.0067752400000000 ]  - [  -0.0030978700000000,  0.0027239300000000, -0.0081849500000000 ]  - [   0.0008529500000000, -0.0000951200000000,  0.0077089500000000 ]  - [   0.0007329500000000, -0.0000524400000000,  0.0077720200000000 ]  - [   0.0008233100000000,  0.0001775500000000,  0.0078684200000000 ]  - [   0.0008230800000000,  0.0001147800000000,  0.0078689800000000 ]  - [   0.0007868900000000, -0.0000894500000000,  0.0080332000000000 ]  - [   0.0009065100000000, -0.0000472000000000,  0.0079704300000000 ]  - [   0.0041562800000000,  0.0009950900000000,  0.0030963900000000 ]  - [  -0.0006045000000000, -0.0003094500000000,  0.0005806700000000 ]  - [   0.0006267800000000,  0.0007917000000000, -0.0002177400000000 ]  - [   0.0006249900000000,  0.0004583500000000, -0.0002193000000000 ]  - [  -0.0028977300000000,  0.0010087900000000, -0.0035290100000000 ]  - [   0.0018402000000000, -0.0003095500000000, -0.0010182500000000 ]  - [  -0.0006254500000000, -0.0001785100000000,  0.0002195800000000 ]  - [  -0.0006367700000000, -0.0003610400000000,  0.0002099700000000 ]  - [  -0.0005990000000000,  0.0000626500000000,  0.0003170000000000 ]  - [  -0.0005543900000000,  0.0002004500000000,  0.0005032000000000 ]  - [  -0.0006473600000000,  0.0000659000000000,  0.0001299700000000 ]  - [  -0.0006919200000000,  0.0002037000000000, -0.0000573700000000 ]  - [  -0.0021014800000000,  0.0016598400000000, -0.0053561700000000 ]  - [   0.0006433600000000, -0.0001653400000000,  0.0001569900000000 ]  - [   0.0006247600000000,  0.0009124600000000,  0.0002179100000000 ]  - [   0.0006265000000000,  0.0004173300000000,  0.0002189400000000 ]  - [   0.0033379800000000,  0.0016592300000000,  0.0057741800000000 ]  - [   0.0006011700000000, -0.0001635600000000,  0.0002880100000000 ]  - [  -0.0006247700000000, -0.0003573600000000, -0.0002212100000000 ]  - [  -0.0006276000000000, -0.0001873800000000, -0.0002200500000000 ]  - [  -0.0004865900000000,  0.0003084900000000, -0.0006315400000000 ]  - [  -0.0005651700000000,  0.0000954400000000, -0.0003219900000000 ]  - [  -0.0007588500000000,  0.0003121900000000,  0.0001844000000000 ]  - [  -0.0006821100000000,  0.0000985400000000, -0.0001244800000000 ]  - [  -0.0019101200000000,  0.0001465000000000, -0.0005952800000000 ]  - [  -0.0019080200000000,  0.0000607600000000, -0.0005982600000000 ]  - [  -0.0018803100000000,  0.0000396100000000, -0.0005570300000000 ]  - [  -0.0019168400000000,  0.0000602400000000, -0.0005812300000000 ]  - [  -0.0018615300000000, -0.0001665500000000, -0.0011479800000000 ]  - [  -0.0018232200000000, -0.0001422100000000, -0.0011271800000000 ]  - [  -0.0000750600000000,  0.0070811400000000,  0.0021265800000000 ]  - [   0.0007659800000000,  0.0007824300000000,  0.0013715300000000 ]  - [   0.0019136100000000, -0.0033346000000000,  0.0005958400000000 ]  - [   0.0019066000000000, -0.0018203000000000,  0.0005953700000000 ]  - [   0.0035247200000000,  0.0070274400000000, -0.0003892400000000 ]  - [   0.0029811000000000,  0.0009717900000000,  0.0003357700000000 ]  - [  -0.0019093300000000,  0.0001091500000000,  0.0005993600000000 ]  - [  -0.0019066400000000,  0.0000739500000000,  0.0005995500000000 ]  - [  -0.0018136300000000,  0.0000465800000000,  0.0006830000000000 ]  - [  -0.0019113700000000,  0.0000368100000000,  0.0005569400000000 ]  - [  -0.0019283600000000, -0.0001565100000000,  0.0010258900000000 ]  - [  -0.0018298100000000, -0.0001681600000000,  0.0011509200000000 ]  - [   0.0107503200000000,  0.0141033600000000, -0.0069435100000000 ]  - [   0.0020885300000000,  0.0004348000000000, -0.0009644500000000 ]  - [   0.0019057100000000, -0.0041148500000000, -0.0005956900000000 ]  - [   0.0019095300000000, -0.0012385300000000, -0.0005972200000000 ]  - [  -0.0065438300000000,  0.0137825600000000,  0.0048810900000000 ]  - [   0.0016561700000000,  0.0006332300000000, -0.0007417500000000 ]  - [   0.0036158200000000,  0.0025724100000000,  0.0053947300000000 ]  - [   0.0036212400000000,  0.0002342300000000,  0.0053938800000000 ]  - [   0.0044444200000000, -0.0010977300000000,  0.0063726800000000 ]  - [   0.0029877700000000, -0.0000473300000000,  0.0060520400000000 ]  - [   0.0029143800000000, -0.0011958200000000,  0.0043350400000000 ]  - [   0.0043669500000000, -0.0001484300000000,  0.0046587000000000 ]  - [  -0.0045595600000000,  0.0006661500000000, -0.0038949600000000 ]  - [  -0.0036692600000000,  0.0001658700000000, -0.0052339300000000 ]  - [  -0.0036155800000000, -0.0014002900000000, -0.0053924000000000 ]  - [  -0.0036160600000000, -0.0004452500000000, -0.0053941700000000 ]  - [  -0.0028059400000000,  0.0007471500000000, -0.0068112700000000 ]  - [  -0.0036869700000000,  0.0002611600000000, -0.0054696500000000 ]  - [   0.0036087400000000,  0.0058674900000000, -0.0054027000000000 ]  - [   0.0036176200000000,  0.0006305400000000, -0.0053967200000000 ]  - [   0.0035015600000000, -0.0013751700000000, -0.0071591800000000 ]  - [   0.0036653700000000, -0.0002615900000000, -0.0055744600000000 ]  - [   0.0038474500000000, -0.0014777200000000, -0.0035564200000000 ]  - [   0.0036958500000000, -0.0003571400000000, -0.0051327100000000 ]  - [  -0.0036204900000000,  0.0004014600000000,  0.0047312900000000 ]  - [  -0.0045708200000000,  0.0001733500000000,  0.0042068600000000 ]  - [  -0.0036155600000000, -0.0010181700000000,  0.0053931100000000 ]  - [  -0.0036165500000000, -0.0006209000000000,  0.0053944300000000 ]  - [  -0.0037396300000000,  0.0004882900000000,  0.0059682600000000 ]  - [  -0.0027799000000000,  0.0002638600000000,  0.0064960500000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0026892600000000,  0.0000000000000000,  0.0067448700000000 ]  - [  -0.0004598300000000,  0.0000000000000000,  0.0017726300000000 ]  - [  -0.0005745500000000, -0.0009102800000000,  0.0025000200000000 ]  - [  -0.0004469600000000,  0.0000171900000000,  0.0017747400000000 ]  - [  -0.0005745500000000,  0.0009102800000000,  0.0025000200000000 ]  - [  -0.0004469600000000, -0.0000171900000000,  0.0017747400000000 ]  - [   0.0008432000000000, -0.0000154200000000, -0.0013546600000000 ]  - [   0.0003124800000000, -0.0003966700000000, -0.0012902600000000 ]  - [   0.0007470100000000,  0.0000000000000000, -0.0013700600000000 ]  - [   0.0004744200000000,  0.0000000000000000, -0.0014702900000000 ]  - [   0.0008432000000000,  0.0000154200000000, -0.0013546600000000 ]  - [   0.0003124800000000,  0.0003966700000000, -0.0012902600000000 ]  - [  -0.0108958400000000,  0.0000000000000000,  0.0078757300000000 ]  - [  -0.0004159800000000,  0.0000000000000000, -0.0022207800000000 ]  - [  -0.0005446800000000,  0.0005425400000000, -0.0023573400000000 ]  - [  -0.0003842800000000,  0.0002437700000000, -0.0021914100000000 ]  - [  -0.0005446800000000, -0.0005425400000000, -0.0023573400000000 ]  - [  -0.0003842800000000, -0.0002437700000000, -0.0021914100000000 ]  - [  -0.0001113700000000,  0.0018958200000000,  0.0033548200000000 ]  - [   0.0005776000000000,  0.0000780500000000,  0.0018793100000000 ]  - [   0.0005783200000000,  0.0000000000000000,  0.0019545700000000 ]  - [   0.0004935000000000,  0.0000000000000000,  0.0019152000000000 ]  - [  -0.0001113700000000, -0.0018958200000000,  0.0033548200000000 ]  - [   0.0005776000000000, -0.0000780500000000,  0.0018793100000000 ]  - [   0.0121015500000000,  0.0000000000000000, -0.0553008600000000 ]  - [  -0.0008920400000000,  0.0000000000000000,  0.0076041800000000 ]  - [  -0.0000789500000000, -0.0003682500000000,  0.0069097400000000 ]  - [  -0.0009795300000000,  0.0000389600000000,  0.0077007400000000 ]  - [  -0.0000789500000000,  0.0003682500000000,  0.0069097400000000 ]  - [  -0.0009795300000000, -0.0000389600000000,  0.0077007400000000 ]  - [   0.0006056000000000,  0.0000714500000000, -0.0072677700000000 ]  - [   0.0009428700000000,  0.0002599700000000, -0.0075947500000000 ]  - [   0.0007523600000000,  0.0000000000000000, -0.0076250500000000 ]  - [   0.0008072200000000,  0.0000000000000000, -0.0077426300000000 ]  - [   0.0006056000000000, -0.0000714500000000, -0.0072677700000000 ]  - [   0.0009428700000000, -0.0002599700000000, -0.0075947500000000 ]  - [  -0.0000275800000000,  0.0000000000000000, -0.0082690800000000 ]  - [  -0.0021416100000000,  0.0000000000000000, -0.0082707700000000 ]  - [  -0.0009121400000000,  0.0003091400000000, -0.0083834700000000 ]  - [  -0.0022072500000000, -0.0010980700000000, -0.0083878600000000 ]  - [  -0.0009121400000000, -0.0003091400000000, -0.0083834700000000 ]  - [  -0.0022072500000000,  0.0010980700000000, -0.0083878600000000 ]  - [   0.0009139100000000,  0.0001630600000000,  0.0084912400000000 ]  - [   0.0008781100000000,  0.0000996200000000,  0.0081358600000000 ]  - [   0.0009315400000000,  0.0000000000000000,  0.0082019100000000 ]  - [   0.0008761000000000,  0.0000000000000000,  0.0080657700000000 ]  - [   0.0009139100000000, -0.0001630600000000,  0.0084912400000000 ]  - [   0.0008781100000000, -0.0000996200000000,  0.0081358600000000 ]  - [   0.0027851900000000,  0.0021724200000000, -0.0018147400000000 ]  - [   0.0004521300000000,  0.0001352000000000, -0.0007165400000000 ]  - [   0.0008330200000000,  0.0000000000000000, -0.0006959000000000 ]  - [   0.0005643700000000,  0.0000000000000000, -0.0004660100000000 ]  - [   0.0027851900000000, -0.0021724200000000, -0.0018147400000000 ]  - [   0.0004521300000000, -0.0001352000000000, -0.0007165400000000 ]  - [  -0.0014461800000000,  0.0000000000000000,  0.0010796500000000 ]  - [   0.0021159700000000,  0.0000000000000000,  0.0032147900000000 ]  - [  -0.0010153000000000,  0.0002431200000000,  0.0004783300000000 ]  - [  -0.0004791800000000,  0.0001731400000000,  0.0003817600000000 ]  - [  -0.0010153000000000, -0.0002431200000000,  0.0004783300000000 ]  - [  -0.0004791800000000, -0.0001731400000000,  0.0003817600000000 ]  - [   0.0030195000000000, -0.0027393700000000,  0.0040677800000000 ]  - [   0.0004053900000000, -0.0000859800000000,  0.0001393300000000 ]  - [   0.0007563300000000,  0.0000000000000000,  0.0000011400000000 ]  - [   0.0004011200000000,  0.0000000000000000,  0.0002607100000000 ]  - [   0.0030195000000000,  0.0027393700000000,  0.0040677800000000 ]  - [   0.0004053900000000,  0.0000859800000000,  0.0001393300000000 ]  - [  -0.0002954400000000,  0.0000000000000000,  0.0004805300000000 ]  - [  -0.0006831000000000,  0.0000000000000000,  0.0001456800000000 ]  - [  -0.0004169400000000, -0.0001556000000000,  0.0005069900000000 ]  - [  -0.0007414700000000,  0.0000049200000000,  0.0000532300000000 ]  - [  -0.0004169400000000,  0.0001556000000000,  0.0005069900000000 ]  - [  -0.0007414700000000, -0.0000049200000000,  0.0000532300000000 ]  - [  -0.0017020300000000,  0.0000000000000000, -0.0021208800000000 ]  - [  -0.0017461700000000,  0.0000000000000000, -0.0009577300000000 ]  - [  -0.0019727600000000, -0.0004395400000000, -0.0017222500000000 ]  - [  -0.0018509200000000,  0.0000170500000000, -0.0011165000000000 ]  - [  -0.0019727600000000,  0.0004395400000000, -0.0017222500000000 ]  - [  -0.0018509200000000, -0.0000170500000000, -0.0011165000000000 ]  - [   0.0001518200000000,  0.0005294900000000,  0.0050243200000000 ]  - [   0.0018825000000000, -0.0000135800000000,  0.0018515800000000 ]  - [   0.0016196900000000,  0.0000000000000000,  0.0011125000000000 ]  - [   0.0021696900000000,  0.0000000000000000,  0.0012372000000000 ]  - [   0.0001518200000000, -0.0005294900000000,  0.0050243200000000 ]  - [   0.0018825000000000,  0.0000135800000000,  0.0018515800000000 ]  - [  -0.0019663900000000,  0.0000000000000000, -0.0002774600000000 ]  - [  -0.0019563500000000,  0.0000000000000000, -0.0006764000000000 ]  - [  -0.0019183800000000, -0.0000675100000000,  0.0002982200000000 ]  - [  -0.0018806300000000,  0.0000419200000000,  0.0002869300000000 ]  - [  -0.0019183800000000,  0.0000675100000000,  0.0002982200000000 ]  - [  -0.0018806300000000, -0.0000419200000000,  0.0002869300000000 ]  - [  -0.0029762200000000, -0.0049219800000000,  0.0065992300000000 ]  - [   0.0018993500000000,  0.0000085100000000, -0.0005013400000000 ]  - [   0.0017472100000000,  0.0000000000000000, -0.0000581400000000 ]  - [   0.0020391800000000,  0.0000000000000000, -0.0003979100000000 ]  - [  -0.0029762200000000,  0.0049219800000000,  0.0065992300000000 ]  - [   0.0018993500000000, -0.0000085100000000, -0.0005013400000000 ]  - [   0.0025172700000000,  0.0000000000000000,  0.0049489500000000 ]  - [   0.0048980200000000,  0.0000000000000000,  0.0050362800000000 ]  - [   0.0028440900000000,  0.0006721100000000,  0.0050583300000000 ]  - [   0.0040886700000000,  0.0001665400000000,  0.0050502000000000 ]  - [   0.0028440900000000, -0.0006721100000000,  0.0050583300000000 ]  - [   0.0040886700000000, -0.0001665400000000,  0.0050502000000000 ]  - [  -0.0037220300000000,  0.0008164200000000, -0.0074331900000000 ]  - [  -0.0036955600000000, -0.0000639200000000, -0.0055811500000000 ]  - [  -0.0038174200000000,  0.0000000000000000, -0.0059408400000000 ]  - [  -0.0036193600000000,  0.0000000000000000, -0.0055789000000000 ]  - [  -0.0037220300000000, -0.0008164200000000, -0.0074331900000000 ]  - [  -0.0036955600000000,  0.0000639200000000, -0.0055811500000000 ]  - [   0.0086194900000000,  0.0000000000000000,  0.0172450000000000 ]  - [   0.0041005400000000,  0.0000000000000000, -0.0051131500000000 ]  - [   0.0034707000000000, -0.0010538100000000, -0.0049060500000000 ]  - [   0.0038201400000000, -0.0000890400000000, -0.0051438800000000 ]  - [   0.0034707000000000,  0.0010538100000000, -0.0049060500000000 ]  - [   0.0038201400000000,  0.0000890400000000, -0.0051438800000000 ]  - [  -0.0025982400000000, -0.0018577200000000,  0.0042353500000000 ]  - [  -0.0044898200000000, -0.0007304300000000,  0.0054174200000000 ]  - [  -0.0034940100000000,  0.0000000000000000,  0.0053106400000000 ]  - [  -0.0036875700000000,  0.0000000000000000,  0.0054803100000000 ]  - [  -0.0025982400000000,  0.0018577200000000,  0.0042353500000000 ]  - [  -0.0044898200000000,  0.0007304300000000,  0.0054174200000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0015976700000000,  0.0000000000000000, -0.0031519100000000 ]  - [  -0.0006666300000000,  0.0000000000000000,  0.0019017800000000 ]  - [  -0.0005628000000000,  0.0009157300000000,  0.0011906300000000 ]  - [  -0.0006865100000000, -0.0000111800000000,  0.0019136200000000 ]  - [  -0.0005628000000000, -0.0009157300000000,  0.0011906300000000 ]  - [  -0.0006865100000000,  0.0000111800000000,  0.0019136200000000 ]  - [   0.0002936600000000,  0.0000084800000000, -0.0023252200000000 ]  - [   0.0008242900000000,  0.0003965500000000, -0.0023925500000000 ]  - [   0.0003841000000000,  0.0000000000000000, -0.0022965800000000 ]  - [   0.0006555900000000,  0.0000000000000000, -0.0021971900000000 ]  - [   0.0002936600000000, -0.0000084800000000, -0.0023252200000000 ]  - [   0.0008242900000000, -0.0003965500000000, -0.0023925500000000 ]  - [   0.0096250200000000,  0.0000000000000000, -0.0114564400000000 ]  - [  -0.0007115600000000,  0.0000000000000000, -0.0014511500000000 ]  - [  -0.0005906800000000, -0.0005405300000000, -0.0013396100000000 ]  - [  -0.0007496800000000, -0.0002364400000000, -0.0014959900000000 ]  - [  -0.0005906800000000,  0.0005405300000000, -0.0013396100000000 ]  - [  -0.0007496800000000,  0.0002364400000000, -0.0014959900000000 ]  - [   0.0012345100000000, -0.0018855100000000,  0.0003395300000000 ]  - [   0.0005597400000000, -0.0000837700000000,  0.0018038200000000 ]  - [   0.0005501500000000,  0.0000000000000000,  0.0017140300000000 ]  - [   0.0006375600000000,  0.0000000000000000,  0.0017528900000000 ]  - [   0.0012345100000000,  0.0018855100000000,  0.0003395300000000 ]  - [   0.0005597400000000,  0.0000837700000000,  0.0018038200000000 ]  - [  -0.0142631500000000,  0.0000000000000000,  0.0699780400000000 ]  - [  -0.0007510100000000,  0.0000000000000000,  0.0081327900000000 ]  - [  -0.0015673300000000,  0.0003636300000000,  0.0088325800000000 ]  - [  -0.0006577100000000, -0.0000342200000000,  0.0080410800000000 ]  - [  -0.0015673300000000, -0.0003636300000000,  0.0088325800000000 ]  - [  -0.0006577100000000,  0.0000342200000000,  0.0080410800000000 ]  - [   0.0010314500000000, -0.0000755600000000, -0.0084728200000000 ]  - [   0.0006997500000000, -0.0002612000000000, -0.0081484600000000 ]  - [   0.0008928200000000,  0.0000000000000000, -0.0081139800000000 ]  - [   0.0008410000000000,  0.0000000000000000, -0.0079964300000000 ]  - [   0.0010314500000000,  0.0000755600000000, -0.0084728200000000 ]  - [   0.0006997500000000,  0.0002612000000000, -0.0081484600000000 ]  - [  -0.0016021600000000,  0.0000000000000000, -0.0074635800000000 ]  - [   0.0004894100000000,  0.0000000000000000, -0.0074651300000000 ]  - [  -0.0007202600000000, -0.0003175300000000, -0.0073521800000000 ]  - [   0.0005663400000000,  0.0011039700000000, -0.0073565000000000 ]  - [  -0.0007202600000000,  0.0003175300000000, -0.0073521800000000 ]  - [   0.0005663400000000, -0.0011039700000000, -0.0073565000000000 ]  - [   0.0007260600000000, -0.0001657100000000,  0.0072540100000000 ]  - [   0.0007626800000000, -0.0001033100000000,  0.0076089600000000 ]  - [   0.0007157400000000,  0.0000000000000000,  0.0075384500000000 ]  - [   0.0007717600000000,  0.0000000000000000,  0.0076737200000000 ]  - [   0.0007260600000000,  0.0001657100000000,  0.0072540100000000 ]  - [   0.0007626800000000,  0.0001033100000000,  0.0076089600000000 ]  - [  -0.0015351200000000, -0.0021534000000000,  0.0013524900000000 ]  - [   0.0008035700000000, -0.0001335600000000,  0.0002620200000000 ]  - [   0.0004195900000000,  0.0000000000000000,  0.0002517600000000 ]  - [   0.0006906900000000,  0.0000000000000000,  0.0000224200000000 ]  - [  -0.0015351200000000,  0.0021534000000000,  0.0013524900000000 ]  - [   0.0008035700000000,  0.0001335600000000,  0.0002620200000000 ]  - [   0.0001893600000000,  0.0000000000000000, -0.0006350500000000 ]  - [  -0.0033329300000000,  0.0000000000000000, -0.0027365500000000 ]  - [  -0.0002318500000000, -0.0002439400000000, -0.0000341700000000 ]  - [  -0.0007662800000000, -0.0001729000000000,  0.0000631300000000 ]  - [  -0.0002318500000000,  0.0002439400000000, -0.0000341700000000 ]  - [  -0.0007662800000000,  0.0001729000000000,  0.0000631300000000 ]  - [  -0.0017869400000000,  0.0027711400000000, -0.0036491000000000 ]  - [   0.0008433800000000,  0.0000886300000000,  0.0003066500000000 ]  - [   0.0004948400000000,  0.0000000000000000,  0.0004425600000000 ]  - [   0.0008533200000000,  0.0000000000000000,  0.0001808700000000 ]  - [  -0.0017869400000000, -0.0027711400000000, -0.0036491000000000 ]  - [   0.0008433800000000, -0.0000886300000000,  0.0003066500000000 ]  - [  -0.0009606600000000,  0.0000000000000000, -0.0009158800000000 ]  - [  -0.0005662200000000,  0.0000000000000000, -0.0005844400000000 ]  - [  -0.0008308600000000,  0.0001549700000000, -0.0009498100000000 ]  - [  -0.0005023000000000, -0.0000060600000000, -0.0004966200000000 ]  - [  -0.0008308600000000, -0.0001549700000000, -0.0009498100000000 ]  - [  -0.0005023000000000,  0.0000060600000000, -0.0004966200000000 ]  - [  -0.0021080300000000,  0.0000000000000000,  0.0009103200000000 ]  - [  -0.0020726100000000,  0.0000000000000000, -0.0002405800000000 ]  - [  -0.0017691900000000,  0.0006362700000000,  0.0000097800000000 ]  - [  -0.0018928800000000,  0.0001840700000000, -0.0005927800000000 ]  - [  -0.0017691900000000, -0.0006362700000000,  0.0000097800000000 ]  - [  -0.0018928800000000, -0.0001840700000000, -0.0005927800000000 ]  - [   0.0035913400000000, -0.0007199800000000, -0.0033152300000000 ]  - [   0.0018548800000000, -0.0001896400000000, -0.0001403800000000 ]  - [   0.0021999500000000,  0.0000000000000000,  0.0000901400000000 ]  - [   0.0016476400000000,  0.0000000000000000, -0.0000381400000000 ]  - [   0.0035913400000000,  0.0007199800000000, -0.0033152300000000 ]  - [   0.0018548800000000,  0.0001896400000000, -0.0001403800000000 ]  - [  -0.0018507100000000,  0.0000000000000000,  0.0014694700000000 ]  - [  -0.0018645800000000,  0.0000000000000000,  0.0018677700000000 ]  - [  -0.0018223900000000,  0.0002681300000000,  0.0014086400000000 ]  - [  -0.0018627100000000,  0.0001576100000000,  0.0014209200000000 ]  - [  -0.0018223900000000, -0.0002681300000000,  0.0014086400000000 ]  - [  -0.0018627100000000, -0.0001576100000000,  0.0014209200000000 ]  - [   0.0068270300000000,  0.0048336100000000, -0.0082977900000000 ]  - [   0.0018329800000000, -0.0002073500000000, -0.0012082200000000 ]  - [   0.0020754100000000,  0.0000000000000000, -0.0011418900000000 ]  - [   0.0017711300000000,  0.0000000000000000, -0.0007997800000000 ]  - [   0.0068270300000000, -0.0048336100000000, -0.0082977900000000 ]  - [   0.0018329800000000,  0.0002073500000000, -0.0012082200000000 ]  - [   0.0047043000000000,  0.0000000000000000,  0.0058195500000000 ]  - [   0.0023244100000000,  0.0000000000000000,  0.0057499100000000 ]  - [   0.0045108700000000, -0.0005703700000000,  0.0056353800000000 ]  - [   0.0032687000000000, -0.0000722500000000,  0.0056509700000000 ]  - [   0.0045108700000000,  0.0005703700000000,  0.0056353800000000 ]  - [   0.0032687000000000,  0.0000722500000000,  0.0056509700000000 ]  - [  -0.0036268400000000, -0.0009207700000000, -0.0032691900000000 ]  - [  -0.0036659400000000, -0.0000322200000000, -0.0051264800000000 ]  - [  -0.0034140400000000,  0.0000000000000000, -0.0048529900000000 ]  - [  -0.0036161200000000,  0.0000000000000000, -0.0052135900000000 ]  - [  -0.0036268400000000,  0.0009207700000000, -0.0032691900000000 ]  - [  -0.0036659400000000,  0.0000322200000000, -0.0051264800000000 ]  - [  -0.0009881800000000,  0.0000000000000000, -0.0269671800000000 ]  - [   0.0031319200000000,  0.0000000000000000, -0.0056712700000000 ]  - [   0.0038898100000000,  0.0011406900000000, -0.0057907300000000 ]  - [   0.0035349800000000,  0.0001859900000000, -0.0055549500000000 ]  - [   0.0038898100000000, -0.0011406900000000, -0.0057907300000000 ]  - [   0.0035349800000000, -0.0001859900000000, -0.0055549500000000 ]  - [  -0.0047561200000000,  0.0017558800000000,  0.0064714100000000 ]  - [  -0.0028756900000000,  0.0006270300000000,  0.0052915000000000 ]  - [  -0.0037390700000000,  0.0000000000000000,  0.0054844800000000 ]  - [  -0.0035476300000000,  0.0000000000000000,  0.0053120400000000 ]  - [  -0.0047561200000000, -0.0017558800000000,  0.0064714100000000 ]  - [  -0.0028756900000000, -0.0006270300000000,  0.0052915000000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0011867900000000,  0.0004736500000000,  0.0022021200000000 ]  - [  -0.0002003200000000, -0.0000873300000000,  0.0017885100000000 ]  - [  -0.0011867900000000, -0.0004736500000000,  0.0022021200000000 ]  - [  -0.0002003200000000,  0.0000873300000000,  0.0017885100000000 ]  - [  -0.0008199300000000,  0.0000000000000000,  0.0018566400000000 ]  - [  -0.0002775700000000,  0.0000000000000000,  0.0018036200000000 ]  - [   0.0009286100000000,  0.0000000000000000, -0.0019383300000000 ]  - [   0.0001188600000000,  0.0000000000000000, -0.0020096400000000 ]  - [   0.0008428000000000, -0.0000008100000000, -0.0018566000000000 ]  - [   0.0002561800000000,  0.0000952800000000, -0.0019680700000000 ]  - [   0.0008428000000000,  0.0000008100000000, -0.0018566000000000 ]  - [   0.0002561800000000, -0.0000952800000000, -0.0019680700000000 ]  - [   0.0009502000000000,  0.0002104200000000, -0.0018849300000000 ]  - [   0.0042971200000000, -0.0057111000000000, -0.0008353600000000 ]  - [   0.0009502000000000, -0.0002104200000000, -0.0018849300000000 ]  - [   0.0042971200000000,  0.0057111000000000, -0.0008353600000000 ]  - [  -0.0003065500000000,  0.0000000000000000, -0.0017468800000000 ]  - [  -0.0008569000000000,  0.0000000000000000, -0.0018066600000000 ]  - [   0.0027426000000000,  0.0000000000000000, -0.0015792600000000 ]  - [   0.0018641900000000,  0.0000000000000000,  0.0021572300000000 ]  - [   0.0015744900000000, -0.0028982400000000, -0.0007548100000000 ]  - [   0.0008667900000000,  0.0005129900000000,  0.0024616100000000 ]  - [   0.0015744900000000,  0.0028982400000000, -0.0007548100000000 ]  - [   0.0008667900000000, -0.0005129900000000,  0.0024616100000000 ]  - [   0.0010515500000000,  0.0035156000000000,  0.0100205700000000 ]  - [   0.0003453200000000, -0.0012294400000000,  0.0076942600000000 ]  - [   0.0010515500000000, -0.0035156000000000,  0.0100205700000000 ]  - [   0.0003453200000000,  0.0012294400000000,  0.0076942600000000 ]  - [  -0.0010399400000000,  0.0000000000000000,  0.0080805200000000 ]  - [  -0.0004252300000000,  0.0000000000000000,  0.0078101400000000 ]  - [   0.0017198600000000,  0.0000000000000000, -0.0086916600000000 ]  - [   0.0012620600000000,  0.0000000000000000, -0.0051429200000000 ]  - [   0.0013773800000000,  0.0000230900000000, -0.0082604900000000 ]  - [   0.0006586000000000,  0.0000671400000000, -0.0077251200000000 ]  - [   0.0013773800000000, -0.0000230900000000, -0.0082604900000000 ]  - [   0.0006586000000000, -0.0000671400000000, -0.0077251200000000 ]  - [  -0.0000935200000000,  0.0000203100000000, -0.0076500200000000 ]  - [  -0.0025310200000000, -0.0027179900000000, -0.0102698300000000 ]  - [  -0.0000935200000000, -0.0000203100000000, -0.0076500200000000 ]  - [  -0.0025310200000000,  0.0027179900000000, -0.0102698300000000 ]  - [  -0.0002561000000000,  0.0000000000000000, -0.0076470700000000 ]  - [  -0.0015264600000000,  0.0000000000000000, -0.0080045300000000 ]  - [   0.0002876900000000,  0.0000000000000000,  0.0075410200000000 ]  - [   0.0013402000000000,  0.0000000000000000,  0.0079316600000000 ]  - [   0.0002996300000000,  0.0001343100000000,  0.0076612600000000 ]  - [   0.0012425900000000,  0.0000571900000000,  0.0079890500000000 ]  - [   0.0002996300000000, -0.0001343100000000,  0.0076612600000000 ]  - [   0.0012425900000000, -0.0000571900000000,  0.0079890500000000 ]  - [  -0.0527937600000000,  0.0000000000000000,  0.0063033600000000 ]  - [   0.0017658400000000,  0.0000000000000000, -0.0003798300000000 ]  - [  -0.0015512100000000, -0.0009261400000000,  0.0004229000000000 ]  - [   0.0015289000000000,  0.0001700700000000, -0.0002152900000000 ]  - [  -0.0015512100000000,  0.0009261400000000,  0.0004229000000000 ]  - [   0.0015289000000000, -0.0001700700000000, -0.0002152900000000 ]  - [   0.0002754300000000,  0.0000160300000000,  0.0002920900000000 ]  - [  -0.0032919600000000, -0.0008960800000000,  0.0003260300000000 ]  - [   0.0002754300000000, -0.0000160300000000,  0.0002920900000000 ]  - [  -0.0032919600000000,  0.0008960800000000,  0.0003260300000000 ]  - [   0.0000362300000000,  0.0000000000000000,  0.0001654900000000 ]  - [  -0.0015797000000000,  0.0000000000000000,  0.0003289200000000 ]  - [   0.0009830200000000,  0.0000000000000000,  0.0008581300000000 ]  - [   0.0009778300000000,  0.0000000000000000, -0.0019642400000000 ]  - [   0.0008047700000000, -0.0001878000000000,  0.0007435900000000 ]  - [   0.0008030700000000,  0.0001983100000000, -0.0001000800000000 ]  - [   0.0008047700000000,  0.0001878000000000,  0.0007435900000000 ]  - [   0.0008030700000000, -0.0001983100000000, -0.0001000800000000 ]  - [  -0.0006668700000000, -0.0000078700000000, -0.0003741000000000 ]  - [  -0.0004620900000000, -0.0001916900000000, -0.0002010900000000 ]  - [  -0.0006668700000000,  0.0000078700000000, -0.0003741000000000 ]  - [  -0.0004620900000000,  0.0001916900000000, -0.0002010900000000 ]  - [  -0.0006473800000000,  0.0000000000000000, -0.0003355800000000 ]  - [  -0.0006471400000000,  0.0000000000000000, -0.0002182700000000 ]  - [  -0.0011977400000000, -0.0007213300000000,  0.0007193200000000 ]  - [  -0.0024768100000000,  0.0002107300000000, -0.0010167100000000 ]  - [  -0.0011977400000000,  0.0007213300000000,  0.0007193200000000 ]  - [  -0.0024768100000000, -0.0002107300000000, -0.0010167100000000 ]  - [  -0.0011189600000000,  0.0000000000000000, -0.0001809800000000 ]  - [  -0.0020889100000000,  0.0000000000000000, -0.0015674800000000 ]  - [  -0.0002818700000000,  0.0000000000000000,  0.0003256900000000 ]  - [   0.0061533300000000,  0.0000000000000000,  0.0028814000000000 ]  - [   0.0007697400000000,  0.0005931700000000,  0.0003562600000000 ]  - [   0.0025273800000000, -0.0020890500000000,  0.0013347400000000 ]  - [   0.0007697400000000, -0.0005931700000000,  0.0003562600000000 ]  - [   0.0025273800000000,  0.0020890500000000,  0.0013347400000000 ]  - [  -0.0025932800000000, -0.0003261200000000,  0.0008545500000000 ]  - [  -0.0012482000000000,  0.0002569800000000,  0.0004406000000000 ]  - [  -0.0025932800000000,  0.0003261200000000,  0.0008545500000000 ]  - [  -0.0012482000000000, -0.0002569800000000,  0.0004406000000000 ]  - [  -0.0023889800000000,  0.0000000000000000,  0.0012672400000000 ]  - [  -0.0014580800000000,  0.0000000000000000,  0.0011249600000000 ]  - [   0.0081986500000000,  0.0000000000000000, -0.0007832400000000 ]  - [   0.0005775500000000,  0.0000000000000000, -0.0008150100000000 ]  - [   0.0037506100000000,  0.0001099500000000, -0.0012210100000000 ]  - [   0.0011163800000000, -0.0005499000000000, -0.0003508300000000 ]  - [   0.0037506100000000, -0.0001099500000000, -0.0012210100000000 ]  - [   0.0011163800000000,  0.0005499000000000, -0.0003508300000000 ]  - [   0.0031340000000000, -0.0001364700000000,  0.0052162900000000 ]  - [   0.0041793900000000,  0.0002928100000000,  0.0061537700000000 ]  - [   0.0031340000000000,  0.0001364700000000,  0.0052162900000000 ]  - [   0.0041793900000000, -0.0002928100000000,  0.0061537700000000 ]  - [   0.0032961900000000,  0.0000000000000000,  0.0051545200000000 ]  - [   0.0040976900000000,  0.0000000000000000,  0.0055402900000000 ]  - [  -0.0033252000000000,  0.0000000000000000, -0.0053637300000000 ]  - [  -0.0044445400000000,  0.0000000000000000, -0.0049870400000000 ]  - [  -0.0032805800000000, -0.0001021400000000, -0.0054809100000000 ]  - [  -0.0039651800000000, -0.0002322700000000, -0.0052649400000000 ]  - [  -0.0032805800000000,  0.0001021400000000, -0.0054809100000000 ]  - [  -0.0039651800000000,  0.0002322700000000, -0.0052649400000000 ]  - [   0.0159467300000000,  0.0072699000000000, -0.0076100600000000 ]  - [   0.0015904800000000, -0.0000325200000000, -0.0056283700000000 ]  - [   0.0159467300000000, -0.0072699000000000, -0.0076100600000000 ]  - [   0.0015904800000000,  0.0000325200000000, -0.0056283700000000 ]  - [   0.0045342500000000,  0.0000000000000000, -0.0058556500000000 ]  - [   0.0030785500000000,  0.0000000000000000, -0.0052322900000000 ]  - [  -0.0055882700000000,  0.0000000000000000,  0.0055290100000000 ]  - [   0.0007459600000000,  0.0000000000000000,  0.0036189800000000 ]  - [  -0.0048253000000000,  0.0001591100000000,  0.0055482400000000 ]  - [  -0.0020375000000000, -0.0014017000000000,  0.0044286000000000 ]  - [  -0.0048253000000000, -0.0001591100000000,  0.0055482400000000 ]  - [  -0.0020375000000000,  0.0014017000000000,  0.0044286000000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000554700000000, -0.0004791200000000,  0.0014727700000000 ]  - [  -0.0009287800000000,  0.0000743000000000,  0.0018797200000000 ]  - [   0.0000554700000000,  0.0004791200000000,  0.0014727700000000 ]  - [  -0.0009287800000000, -0.0000743000000000,  0.0018797200000000 ]  - [  -0.0003209500000000,  0.0000000000000000,  0.0018435700000000 ]  - [  -0.0008628600000000,  0.0000000000000000,  0.0018958300000000 ]  - [   0.0002133800000000,  0.0000000000000000, -0.0017605300000000 ]  - [   0.0010204600000000,  0.0000000000000000, -0.0016908400000000 ]  - [   0.0002882100000000, -0.0000113200000000, -0.0018117300000000 ]  - [   0.0008729900000000, -0.0001076900000000, -0.0017006200000000 ]  - [   0.0002882100000000,  0.0000113200000000, -0.0018117300000000 ]  - [   0.0008729900000000,  0.0001076900000000, -0.0017006200000000 ]  - [  -0.0020728300000000, -0.0002254600000000, -0.0017851700000000 ]  - [  -0.0053832900000000,  0.0056467600000000, -0.0028258300000000 ]  - [  -0.0020728300000000,  0.0002254600000000, -0.0017851700000000 ]  - [  -0.0053832900000000, -0.0056467600000000, -0.0028258300000000 ]  - [  -0.0008327600000000,  0.0000000000000000, -0.0019530200000000 ]  - [  -0.0002852600000000,  0.0000000000000000, -0.0018941200000000 ]  - [  -0.0015989100000000,  0.0000000000000000,  0.0052934900000000 ]  - [  -0.0007295700000000,  0.0000000000000000,  0.0015440400000000 ]  - [  -0.0004492600000000,  0.0028870200000000,  0.0044284500000000 ]  - [   0.0002638700000000, -0.0005237300000000,  0.0012120400000000 ]  - [  -0.0004492600000000, -0.0028870200000000,  0.0044284500000000 ]  - [   0.0002638700000000,  0.0005237300000000,  0.0012120400000000 ]  - [  -0.0027000900000000, -0.0035451100000000,  0.0057008400000000 ]  - [  -0.0019862300000000,  0.0012085200000000,  0.0080464200000000 ]  - [  -0.0027000900000000,  0.0035451100000000,  0.0057008400000000 ]  - [  -0.0019862300000000, -0.0012085200000000,  0.0080464200000000 ]  - [  -0.0005931600000000,  0.0000000000000000,  0.0076675700000000 ]  - [  -0.0012073700000000,  0.0000000000000000,  0.0079371400000000 ]  - [  -0.0000860700000000,  0.0000000000000000, -0.0070569900000000 ]  - [   0.0003714900000000,  0.0000000000000000, -0.0105923400000000 ]  - [   0.0002703200000000, -0.0000318600000000, -0.0074779500000000 ]  - [   0.0009871100000000, -0.0000770400000000, -0.0080129600000000 ]  - [   0.0002703200000000,  0.0000318600000000, -0.0074779500000000 ]  - [   0.0009871100000000,  0.0000770400000000, -0.0080129600000000 ]  - [  -0.0015508700000000, -0.0000285500000000, -0.0080887100000000 ]  - [   0.0008624600000000,  0.0027150900000000, -0.0054639200000000 ]  - [  -0.0015508700000000,  0.0000285500000000, -0.0080887100000000 ]  - [   0.0008624600000000, -0.0027150900000000, -0.0054639200000000 ]  - [  -0.0013758400000000,  0.0000000000000000, -0.0081000600000000 ]  - [  -0.0001089400000000,  0.0000000000000000, -0.0077436100000000 ]  - [   0.0013467200000000,  0.0000000000000000,  0.0082069400000000 ]  - [   0.0002940500000000,  0.0000000000000000,  0.0078156000000000 ]  - [   0.0013484000000000, -0.0001445100000000,  0.0080760500000000 ]  - [   0.0004056900000000, -0.0000663400000000,  0.0077505900000000 ]  - [   0.0013484000000000,  0.0001445100000000,  0.0080760500000000 ]  - [   0.0004056900000000,  0.0000663400000000,  0.0077505900000000 ]  - [   0.0537838900000000,  0.0000000000000000, -0.0070266900000000 ]  - [  -0.0005221800000000,  0.0000000000000000, -0.0000702100000000 ]  - [   0.0028061700000000,  0.0009255500000000, -0.0008641100000000 ]  - [  -0.0002729600000000, -0.0001669500000000, -0.0002251100000000 ]  - [   0.0028061700000000, -0.0009255500000000, -0.0008641100000000 ]  - [  -0.0002729600000000,  0.0001669500000000, -0.0002251100000000 ]  - [  -0.0015269500000000, -0.0000124900000000,  0.0001491700000000 ]  - [   0.0020299900000000,  0.0009057700000000,  0.0001012300000000 ]  - [  -0.0015269500000000,  0.0000124900000000,  0.0001491700000000 ]  - [   0.0020299900000000, -0.0009057700000000,  0.0001012300000000 ]  - [  -0.0012744300000000,  0.0000000000000000,  0.0002842400000000 ]  - [   0.0003382400000000,  0.0000000000000000,  0.0001210300000000 ]  - [   0.0002668600000000,  0.0000000000000000, -0.0004042400000000 ]  - [   0.0002617300000000,  0.0000000000000000,  0.0023932500000000 ]  - [   0.0004492100000000,  0.0001907200000000, -0.0003035700000000 ]  - [   0.0004475500000000, -0.0001951400000000,  0.0005407100000000 ]  - [   0.0004492100000000, -0.0001907200000000, -0.0003035700000000 ]  - [   0.0004475500000000,  0.0001951400000000,  0.0005407100000000 ]  - [  -0.0005848100000000,  0.0000112200000000, -0.0000661600000000 ]  - [  -0.0007913900000000,  0.0001937300000000, -0.0002395200000000 ]  - [  -0.0005848100000000, -0.0000112200000000, -0.0000661600000000 ]  - [  -0.0007913900000000, -0.0001937300000000, -0.0002395200000000 ]  - [  -0.0005907400000000,  0.0000000000000000, -0.0001142000000000 ]  - [  -0.0005934100000000,  0.0000000000000000, -0.0002313100000000 ]  - [  -0.0026222100000000,  0.0003197100000000, -0.0019178100000000 ]  - [  -0.0013401900000000, -0.0006140200000000, -0.0001811600000000 ]  - [  -0.0026222100000000, -0.0003197100000000, -0.0019178100000000 ]  - [  -0.0013401900000000,  0.0006140200000000, -0.0001811600000000 ]  - [  -0.0025490100000000,  0.0000000000000000, -0.0020368000000000 ]  - [  -0.0015773100000000,  0.0000000000000000, -0.0006546800000000 ]  - [   0.0039525800000000,  0.0000000000000000,  0.0019009000000000 ]  - [  -0.0020654400000000,  0.0000000000000000, -0.0008660900000000 ]  - [   0.0030450600000000, -0.0009941200000000,  0.0008391100000000 ]  - [   0.0013001000000000,  0.0016872100000000, -0.0001292400000000 ]  - [   0.0030450600000000,  0.0009941200000000,  0.0008391100000000 ]  - [   0.0013001000000000, -0.0016872100000000, -0.0001292400000000 ]  - [  -0.0012233500000000, -0.0000769400000000,  0.0003408400000000 ]  - [  -0.0025641600000000, -0.0006580800000000,  0.0007611000000000 ]  - [  -0.0012233500000000,  0.0000769400000000,  0.0003408400000000 ]  - [  -0.0025641600000000,  0.0006580800000000,  0.0007611000000000 ]  - [  -0.0012771600000000,  0.0000000000000000,  0.0009520300000000 ]  - [  -0.0022058300000000,  0.0000000000000000,  0.0010928500000000 ]  - [  -0.0045655700000000,  0.0000000000000000, -0.0015472500000000 ]  - [   0.0030787200000000,  0.0000000000000000, -0.0014002600000000 ]  - [   0.0000636400000000, -0.0005076800000000,  0.0000226500000000 ]  - [   0.0026965000000000,  0.0001452200000000, -0.0008440600000000 ]  - [   0.0000636400000000,  0.0005076800000000,  0.0000226500000000 ]  - [   0.0026965000000000, -0.0001452200000000, -0.0008440600000000 ]  - [   0.0040949000000000, -0.0000570900000000,  0.0055716800000000 ]  - [   0.0030567900000000, -0.0004812400000000,  0.0046309300000000 ]  - [   0.0040949000000000,  0.0000570900000000,  0.0055716800000000 ]  - [   0.0030567900000000,  0.0004812400000000,  0.0046309300000000 ]  - [   0.0041852800000000,  0.0000000000000000,  0.0054618200000000 ]  - [   0.0033863300000000,  0.0000000000000000,  0.0050754400000000 ]  - [  -0.0041567300000000,  0.0000000000000000, -0.0052532300000000 ]  - [  -0.0030397800000000,  0.0000000000000000, -0.0056275200000000 ]  - [  -0.0039516400000000, -0.0000886700000000, -0.0053086600000000 ]  - [  -0.0032668100000000,  0.0000397400000000, -0.0055241200000000 ]  - [  -0.0039516400000000,  0.0000886700000000, -0.0053086600000000 ]  - [  -0.0032668100000000, -0.0000397400000000, -0.0055241200000000 ]  - [  -0.0089107800000000, -0.0078199500000000, -0.0029955400000000 ]  - [   0.0056376700000000, -0.0001631000000000, -0.0051629900000000 ]  - [  -0.0089107800000000,  0.0078199500000000, -0.0029955400000000 ]  - [   0.0056376700000000,  0.0001631000000000, -0.0051629900000000 ]  - [   0.0029477900000000,  0.0000000000000000, -0.0047604500000000 ]  - [   0.0044024700000000,  0.0000000000000000, -0.0053837800000000 ]  - [  -0.0018987900000000,  0.0000000000000000,  0.0050877100000000 ]  - [  -0.0080556500000000,  0.0000000000000000,  0.0072107700000000 ]  - [  -0.0024099700000000, -0.0003503900000000,  0.0052418800000000 ]  - [  -0.0051836500000000,  0.0012093300000000,  0.0063547100000000 ]  - [  -0.0024099700000000,  0.0003503900000000,  0.0052418800000000 ]  - [  -0.0051836500000000, -0.0012093300000000,  0.0063547100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005631700000000, -0.0003132200000000,  0.0019919100000000 ]  - [  -0.0005459500000000, -0.0000637300000000,  0.0019353100000000 ]  - [  -0.0005643100000000, -0.0003086100000000,  0.0016866500000000 ]  - [  -0.0005862800000000, -0.0000517100000000,  0.0017336100000000 ]  - [  -0.0005695000000000,  0.0004208700000000,  0.0018503000000000 ]  - [  -0.0005712500000000,  0.0001401200000000,  0.0018500300000000 ]  - [   0.0005697600000000, -0.0001428200000000, -0.0018487700000000 ]  - [   0.0005717000000000, -0.0003912100000000, -0.0018481400000000 ]  - [   0.0005501200000000,  0.0000519300000000, -0.0018003100000000 ]  - [   0.0005730800000000,  0.0001630500000000, -0.0018279800000000 ]  - [   0.0005792500000000,  0.0000643400000000, -0.0018678600000000 ]  - [   0.0005583500000000,  0.0001767600000000, -0.0018388600000000 ]  - [   0.0015928900000000, -0.0005659700000000, -0.0017503400000000 ]  - [  -0.0042323200000000,  0.0015452500000000, -0.0020199500000000 ]  - [  -0.0027405100000000, -0.0005542700000000, -0.0019264400000000 ]  - [   0.0031033300000000,  0.0015396700000000, -0.0016539900000000 ]  - [  -0.0005714300000000,  0.0006017000000000, -0.0018521100000000 ]  - [  -0.0005692400000000,  0.0008748000000000, -0.0018514100000000 ]  - [   0.0005637900000000, -0.0031963400000000,  0.0018683400000000 ]  - [   0.0005648300000000, -0.0003679100000000,  0.0018491300000000 ]  - [  -0.0005586500000000,  0.0036065600000000,  0.0041030200000000 ]  - [   0.0007698700000000,  0.0002954700000000,  0.0020686300000000 ]  - [   0.0016826700000000,  0.0036030100000000, -0.0004223100000000 ]  - [   0.0003585400000000,  0.0003108100000000,  0.0015983100000000 ]  - [   0.0014645400000000,  0.0009993700000000,  0.0100196000000000 ]  - [  -0.0009260000000000, -0.0003114500000000,  0.0080045800000000 ]  - [  -0.0031228200000000,  0.0010058900000000,  0.0056939200000000 ]  - [  -0.0007299300000000, -0.0003062200000000,  0.0077358000000000 ]  - [  -0.0008167000000000,  0.0007901400000000,  0.0078721100000000 ]  - [  -0.0008182900000000,  0.0004568000000000,  0.0078739500000000 ]  - [   0.0008117700000000, -0.0001800800000000, -0.0078697700000000 ]  - [   0.0008169100000000, -0.0003626000000000, -0.0078817500000000 ]  - [   0.0006774600000000,  0.0000608700000000, -0.0076246300000000 ]  - [   0.0009329500000000,  0.0001981700000000, -0.0076963400000000 ]  - [   0.0009682300000000,  0.0000691100000000, -0.0081119100000000 ]  - [   0.0007163600000000,  0.0002074400000000, -0.0080424000000000 ]  - [  -0.0005979200000000, -0.0001683700000000, -0.0077831000000000 ]  - [  -0.0021497600000000,  0.0016618500000000, -0.0051164600000000 ]  - [  -0.0010544300000000, -0.0001591500000000, -0.0079577700000000 ]  - [   0.0005060900000000,  0.0016586900000000, -0.0106266600000000 ]  - [  -0.0008187600000000,  0.0004157300000000, -0.0078745000000000 ]  - [  -0.0008162600000000,  0.0009108900000000, -0.0078738900000000 ]  - [   0.0008196000000000, -0.0003589700000000,  0.0078760900000000 ]  - [   0.0008159200000000, -0.0001889600000000,  0.0078737900000000 ]  - [   0.0007472800000000,  0.0003064700000000,  0.0080258700000000 ]  - [   0.0008001900000000,  0.0000932000000000,  0.0078637800000000 ]  - [   0.0009047000000000,  0.0003156400000000,  0.0077153000000000 ]  - [   0.0008454200000000,  0.0001022900000000,  0.0078747000000000 ]  - [   0.0010575500000000, -0.0465436600000000, -0.0004766400000000 ]  - [   0.0006163600000000, -0.0006648500000000, -0.0002260000000000 ]  - [   0.0015610400000000,  0.0022441200000000, -0.0008193200000000 ]  - [   0.0004557300000000,  0.0002907900000000, -0.0003386600000000 ]  - [  -0.0002907500000000,  0.0022215400000000,  0.0003696600000000 ]  - [   0.0007927900000000,  0.0002875400000000, -0.0001041300000000 ]  - [  -0.0006156400000000, -0.0001602500000000,  0.0000079700000000 ]  - [  -0.0015202200000000, -0.0000018600000000, -0.0020074700000000 ]  - [  -0.0006441500000000, -0.0001624700000000,  0.0004340600000000 ]  - [   0.0002817000000000, -0.0000123700000000,  0.0024540800000000 ]  - [  -0.0006223500000000,  0.0002995200000000,  0.0002257500000000 ]  - [  -0.0006169500000000,  0.0005475000000000,  0.0002258600000000 ]  - [   0.0006252500000000, -0.0003203000000000,  0.0002261100000000 ]  - [   0.0006180600000000, -0.0003203100000000,  0.0002296700000000 ]  - [   0.0004304500000000,  0.0002256700000000, -0.0001129500000000 ]  - [   0.0008149000000000,  0.0002247100000000,  0.0000599800000000 ]  - [   0.0008239700000000,  0.0002228100000000,  0.0005533200000000 ]  - [   0.0004363000000000,  0.0002237800000000,  0.0003840500000000 ]  - [  -0.0006356400000000, -0.0000508700000000, -0.0002509900000000 ]  - [  -0.0008203600000000, -0.0000488500000000, -0.0001687800000000 ]  - [  -0.0006164100000000, -0.0000542300000000, -0.0001871200000000 ]  - [  -0.0004349800000000, -0.0000521400000000, -0.0002720100000000 ]  - [  -0.0006195800000000,  0.0001425200000000, -0.0002240900000000 ]  - [  -0.0006204500000000,  0.0001315900000000, -0.0002251200000000 ]  - [  -0.0023496700000000,  0.0003271500000000,  0.0000019800000000 ]  - [  -0.0018741400000000, -0.0000121500000000, -0.0005303100000000 ]  - [  -0.0014720700000000,  0.0007216200000000, -0.0012169400000000 ]  - [  -0.0019394400000000,  0.0003926200000000, -0.0006652300000000 ]  - [  -0.0018348000000000, -0.0012359600000000, -0.0011140000000000 ]  - [  -0.0018330000000000, -0.0004137300000000, -0.0011092900000000 ]  - [   0.0018378500000000,  0.0021149900000000,  0.0011159000000000 ]  - [   0.0018470500000000,  0.0031013000000000,  0.0011028300000000 ]  - [   0.0025358100000000, -0.0012268600000000,  0.0008348200000000 ]  - [   0.0011961800000000, -0.0013533900000000,  0.0008964900000000 ]  - [   0.0012855600000000, -0.0008209700000000,  0.0003690000000000 ]  - [   0.0026242500000000, -0.0009695200000000,  0.0003012900000000 ]  - [  -0.0019480700000000, -0.0000277600000000,  0.0006895000000000 ]  - [  -0.0017120100000000,  0.0000017300000000,  0.0012240400000000 ]  - [  -0.0018643500000000,  0.0003724700000000,  0.0005039400000000 ]  - [  -0.0021092900000000,  0.0004058000000000, -0.0000278900000000 ]  - [  -0.0018313200000000, -0.0003274300000000,  0.0011092700000000 ]  - [  -0.0018344500000000, -0.0004116700000000,  0.0011082500000000 ]  - [   0.0018144900000000,  0.0052273500000000, -0.0011162900000000 ]  - [   0.0018361500000000,  0.0004450900000000, -0.0011101100000000 ]  - [   0.0020570400000000, -0.0014094600000000,  0.0003319000000000 ]  - [   0.0018348600000000, -0.0004273000000000, -0.0004976800000000 ]  - [   0.0017536100000000, -0.0010149900000000, -0.0015234100000000 ]  - [   0.0019852500000000, -0.0000267700000000, -0.0007005700000000 ]  - [   0.0035389600000000,  0.0000488100000000,  0.0052585700000000 ]  - [   0.0038550600000000,  0.0001053100000000,  0.0047869800000000 ]  - [   0.0036913900000000,  0.0002412000000000,  0.0055282400000000 ]  - [   0.0033774600000000,  0.0002976500000000,  0.0059904400000000 ]  - [   0.0037415800000000, -0.0003195300000000,  0.0053073400000000 ]  - [   0.0037407100000000, -0.0003633300000000,  0.0053063000000000 ]  - [  -0.0037428400000000,  0.0002618800000000, -0.0053093100000000 ]  - [  -0.0037389700000000,  0.0002165600000000, -0.0053085400000000 ]  - [  -0.0036204400000000, -0.0002554100000000, -0.0053020400000000 ]  - [  -0.0036821700000000, -0.0002098500000000, -0.0053348200000000 ]  - [  -0.0036142200000000, -0.0000656500000000, -0.0054884900000000 ]  - [  -0.0035464500000000, -0.0000184700000000, -0.0054538400000000 ]  - [   0.0124649100000000,  0.0118095200000000, -0.0093882300000000 ]  - [   0.0041899900000000,  0.0002582700000000, -0.0052662400000000 ]  - [  -0.0056535400000000,  0.0123018300000000, -0.0011336100000000 ]  - [   0.0030559800000000,  0.0004517500000000, -0.0055197900000000 ]  - [   0.0037421400000000, -0.0030973100000000, -0.0053048800000000 ]  - [   0.0037430100000000, -0.0004676700000000, -0.0053078400000000 ]  - [  -0.0037338700000000,  0.0010578200000000,  0.0053070000000000 ]  - [  -0.0037456300000000,  0.0043154900000000,  0.0053243500000000 ]  - [  -0.0029632500000000, -0.0006358700000000,  0.0051573600000000 ]  - [  -0.0042240800000000, -0.0012158300000000,  0.0046576900000000 ]  - [  -0.0042606400000000, -0.0004406900000000,  0.0056280800000000 ]  - [  -0.0030193400000000, -0.0010338000000000,  0.0061335100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0005902600000000,  0.0015789800000000,  0.0034772100000000 ]  - [  -0.0005714700000000, -0.0000002600000000,  0.0019554100000000 ]  - [  -0.0005902600000000, -0.0015789800000000,  0.0034772100000000 ]  - [  -0.0005714700000000,  0.0000002600000000,  0.0019554100000000 ]  - [  -0.0005158300000000,  0.0000000000000000,  0.0022414800000000 ]  - [  -0.0006381500000000,  0.0000000000000000,  0.0020020200000000 ]  - [   0.0006870000000000,  0.0000000000000000, -0.0012361400000000 ]  - [   0.0006322700000000,  0.0000000000000000, -0.0007451000000000 ]  - [   0.0006507800000000, -0.0000315800000000, -0.0013823000000000 ]  - [   0.0005998800000000, -0.0001875700000000, -0.0010481900000000 ]  - [   0.0006507800000000,  0.0000315800000000, -0.0013823000000000 ]  - [   0.0005998800000000,  0.0001875700000000, -0.0010481900000000 ]  - [  -0.0014391900000000, -0.0000690900000000, -0.0028422200000000 ]  - [   0.0012407700000000, -0.0013127200000000, -0.0042701900000000 ]  - [  -0.0014391900000000,  0.0000690900000000, -0.0028422200000000 ]  - [   0.0012407700000000,  0.0013127200000000, -0.0042701900000000 ]  - [  -0.0005865800000000,  0.0000000000000000, -0.0024622000000000 ]  - [  -0.0003686900000000,  0.0000000000000000, -0.0025979300000000 ]  - [  -0.0026921400000000,  0.0000000000000000,  0.0040373300000000 ]  - [   0.0025238200000000,  0.0000000000000000,  0.0017466000000000 ]  - [  -0.0000675000000000,  0.0013408300000000,  0.0028392300000000 ]  - [   0.0006655000000000,  0.0001113800000000,  0.0017994200000000 ]  - [  -0.0000675000000000, -0.0013408300000000,  0.0028392300000000 ]  - [   0.0006655000000000, -0.0001113800000000,  0.0017994200000000 ]  - [   0.0019946900000000,  0.0033060000000000,  0.0062964100000000 ]  - [  -0.0014424900000000,  0.0007954000000000,  0.0073800800000000 ]  - [   0.0019946900000000, -0.0033060000000000,  0.0062964100000000 ]  - [  -0.0014424900000000, -0.0007954000000000,  0.0073800800000000 ]  - [  -0.0006350700000000,  0.0000000000000000,  0.0074014100000000 ]  - [  -0.0010011200000000,  0.0000000000000000,  0.0076300800000000 ]  - [  -0.0000409300000000,  0.0000000000000000, -0.0070167900000000 ]  - [   0.0016231100000000,  0.0000000000000000, -0.0048910200000000 ]  - [   0.0004851800000000,  0.0000917400000000, -0.0076143400000000 ]  - [   0.0010133000000000,  0.0002784300000000, -0.0077107600000000 ]  - [   0.0004851800000000, -0.0000917400000000, -0.0076143400000000 ]  - [   0.0010133000000000, -0.0002784300000000, -0.0077107600000000 ]  - [  -0.0006104900000000,  0.0000629800000000, -0.0079516300000000 ]  - [  -0.0032290900000000,  0.0055372100000000, -0.0040249400000000 ]  - [  -0.0006104900000000, -0.0000629800000000, -0.0079516300000000 ]  - [  -0.0032290900000000, -0.0055372100000000, -0.0040249400000000 ]  - [  -0.0007297900000000,  0.0000000000000000, -0.0078330400000000 ]  - [  -0.0009854300000000,  0.0000000000000000, -0.0080927600000000 ]  - [   0.0008357500000000,  0.0000000000000000,  0.0085696600000000 ]  - [   0.0009108200000000,  0.0000000000000000,  0.0082383300000000 ]  - [   0.0008334300000000,  0.0004070500000000,  0.0085963800000000 ]  - [   0.0008550700000000,  0.0000967000000000,  0.0081431500000000 ]  - [   0.0008334300000000, -0.0004070500000000,  0.0085963800000000 ]  - [   0.0008550700000000, -0.0000967000000000,  0.0081431500000000 ]  - [   0.0072488300000000,  0.0000000000000000, -0.0445324600000000 ]  - [   0.0004646400000000,  0.0000000000000000, -0.0009027300000000 ]  - [   0.0012657300000000,  0.0005903500000000, -0.0015332400000000 ]  - [   0.0006316000000000,  0.0001185200000000, -0.0006964100000000 ]  - [   0.0012657300000000, -0.0005903500000000, -0.0015332400000000 ]  - [   0.0006316000000000, -0.0001185200000000, -0.0006964100000000 ]  - [  -0.0005531600000000, -0.0002117700000000,  0.0002314500000000 ]  - [  -0.0005173100000000, -0.0022382200000000,  0.0027590900000000 ]  - [  -0.0005531600000000,  0.0002117700000000,  0.0002314500000000 ]  - [  -0.0005173100000000,  0.0022382200000000,  0.0027590900000000 ]  - [  -0.0006779200000000,  0.0000000000000000,  0.0002021100000000 ]  - [  -0.0005167900000000,  0.0000000000000000,  0.0001908900000000 ]  - [   0.0027832600000000,  0.0000000000000000,  0.0011778900000000 ]  - [  -0.0000111400000000,  0.0000000000000000,  0.0011850200000000 ]  - [   0.0009456800000000, -0.0001602100000000,  0.0005408800000000 ]  - [   0.0001040100000000, -0.0003306100000000,  0.0005392800000000 ]  - [   0.0009456800000000,  0.0001602100000000,  0.0005408800000000 ]  - [   0.0001040100000000,  0.0003306100000000,  0.0005392800000000 ]  - [  -0.0004728300000000,  0.0000330500000000,  0.0004764000000000 ]  - [  -0.0006441200000000, -0.0000500200000000,  0.0006016800000000 ]  - [  -0.0004728300000000, -0.0000330500000000,  0.0004764000000000 ]  - [  -0.0006441200000000,  0.0000500200000000,  0.0006016800000000 ]  - [  -0.0005100300000000,  0.0000000000000000,  0.0003751300000000 ]  - [  -0.0006255000000000,  0.0000000000000000,  0.0001789800000000 ]  - [  -0.0012357300000000,  0.0003963300000000, -0.0021729400000000 ]  - [  -0.0023358600000000,  0.0003755900000000, -0.0010303600000000 ]  - [  -0.0012357300000000, -0.0003963300000000, -0.0021729400000000 ]  - [  -0.0023358600000000, -0.0003755900000000, -0.0010303600000000 ]  - [  -0.0017481300000000,  0.0000000000000000, -0.0016819800000000 ]  - [  -0.0020056700000000,  0.0000000000000000, -0.0013183200000000 ]  - [   0.0008552100000000,  0.0000000000000000,  0.0022849600000000 ]  - [   0.0033861100000000,  0.0000000000000000,  0.0051867500000000 ]  - [   0.0012021800000000,  0.0002146800000000,  0.0012667800000000 ]  - [   0.0027550700000000,  0.0009391500000000,  0.0025460300000000 ]  - [   0.0012021800000000, -0.0002146800000000,  0.0012667800000000 ]  - [   0.0027550700000000, -0.0009391500000000,  0.0025460300000000 ]  - [  -0.0017028900000000,  0.0000535800000000, -0.0000360000000000 ]  - [  -0.0020438200000000,  0.0002435600000000, -0.0011891400000000 ]  - [  -0.0017028900000000, -0.0000535800000000, -0.0000360000000000 ]  - [  -0.0020438200000000, -0.0002435600000000, -0.0011891400000000 ]  - [  -0.0017091800000000,  0.0000000000000000,  0.0006917500000000 ]  - [  -0.0020114500000000,  0.0000000000000000,  0.0004640400000000 ]  - [   0.0004915200000000,  0.0000000000000000,  0.0017706300000000 ]  - [   0.0020944200000000,  0.0000000000000000, -0.0008020100000000 ]  - [   0.0013316300000000,  0.0015089900000000, -0.0002905400000000 ]  - [   0.0020640600000000, -0.0001044300000000, -0.0004506900000000 ]  - [   0.0013316300000000, -0.0015089900000000, -0.0002905400000000 ]  - [   0.0020640600000000,  0.0001044300000000, -0.0004506900000000 ]  - [   0.0031064100000000, -0.0004221100000000,  0.0047690100000000 ]  - [   0.0042367400000000, -0.0001286200000000,  0.0034259400000000 ]  - [   0.0031064100000000,  0.0004221100000000,  0.0047690100000000 ]  - [   0.0042367400000000,  0.0001286200000000,  0.0034259400000000 ]  - [   0.0035373900000000,  0.0000000000000000,  0.0048666800000000 ]  - [   0.0037210200000000,  0.0000000000000000,  0.0047425300000000 ]  - [  -0.0040379100000000,  0.0000000000000000, -0.0068742100000000 ]  - [  -0.0035445300000000,  0.0000000000000000, -0.0059802600000000 ]  - [  -0.0039524900000000,  0.0002806700000000, -0.0064658300000000 ]  - [  -0.0035256800000000, -0.0001163800000000, -0.0059417600000000 ]  - [  -0.0039524900000000, -0.0002806700000000, -0.0064658300000000 ]  - [  -0.0035256800000000,  0.0001163800000000, -0.0059417600000000 ]  - [  -0.0003993400000000, -0.0050007000000000,  0.0030716100000000 ]  - [   0.0033847000000000,  0.0002377600000000, -0.0045479600000000 ]  - [  -0.0003993400000000,  0.0050007000000000,  0.0030716100000000 ]  - [   0.0033847000000000, -0.0002377600000000, -0.0045479600000000 ]  - [   0.0035761100000000,  0.0000000000000000, -0.0043662000000000 ]  - [   0.0036759800000000,  0.0000000000000000, -0.0048830300000000 ]  - [  -0.0027912500000000,  0.0000000000000000,  0.0058537900000000 ]  - [  -0.0032934800000000,  0.0000000000000000,  0.0125803100000000 ]  - [  -0.0032871700000000, -0.0002712700000000,  0.0056986400000000 ]  - [  -0.0044308100000000, -0.0011488000000000,  0.0060842200000000 ]  - [  -0.0032871700000000,  0.0002712700000000,  0.0056986400000000 ]  - [  -0.0044308100000000,  0.0011488000000000,  0.0060842200000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005367200000000, -0.0016144500000000,  0.0001780600000000 ]  - [  -0.0005586200000000, -0.0000119900000000,  0.0017148700000000 ]  - [  -0.0005367200000000,  0.0016144500000000,  0.0001780600000000 ]  - [  -0.0005586200000000,  0.0000119900000000,  0.0017148700000000 ]  - [  -0.0006251600000000,  0.0000000000000000,  0.0014594600000000 ]  - [  -0.0005012200000000,  0.0000000000000000,  0.0016991400000000 ]  - [   0.0004524900000000,  0.0000000000000000, -0.0024668500000000 ]  - [   0.0005077600000000,  0.0000000000000000, -0.0029574300000000 ]  - [   0.0004791500000000,  0.0000202400000000, -0.0022887500000000 ]  - [   0.0005305800000000,  0.0001772400000000, -0.0026242400000000 ]  - [   0.0004791500000000, -0.0000202400000000, -0.0022887500000000 ]  - [   0.0005305800000000, -0.0001772400000000, -0.0026242400000000 ]  - [   0.0003186300000000,  0.0000577800000000, -0.0008242200000000 ]  - [  -0.0023919700000000,  0.0013129900000000,  0.0005960000000000 ]  - [   0.0003186300000000, -0.0000577800000000, -0.0008242200000000 ]  - [  -0.0023919700000000, -0.0013129900000000,  0.0005960000000000 ]  - [  -0.0005519600000000,  0.0000000000000000, -0.0012351100000000 ]  - [  -0.0007737700000000,  0.0000000000000000, -0.0011000700000000 ]  - [   0.0038123100000000,  0.0000000000000000, -0.0003371900000000 ]  - [  -0.0013675800000000,  0.0000000000000000,  0.0019506000000000 ]  - [   0.0012053700000000, -0.0013767100000000,  0.0008123200000000 ]  - [   0.0004634100000000, -0.0001243700000000,  0.0018670000000000 ]  - [   0.0012053700000000,  0.0013767100000000,  0.0008123200000000 ]  - [   0.0004634100000000,  0.0001243700000000,  0.0018670000000000 ]  - [  -0.0036561700000000, -0.0033238100000000,  0.0094651700000000 ]  - [  -0.0002025200000000, -0.0008079300000000,  0.0083598100000000 ]  - [  -0.0036561700000000,  0.0033238100000000,  0.0094651700000000 ]  - [  -0.0002025200000000,  0.0008079300000000,  0.0083598100000000 ]  - [  -0.0009970700000000,  0.0000000000000000,  0.0083503500000000 ]  - [  -0.0006308100000000,  0.0000000000000000,  0.0081197500000000 ]  - [   0.0016742100000000,  0.0000000000000000, -0.0087321300000000 ]  - [   0.0000120900000000,  0.0000000000000000, -0.0108432400000000 ]  - [   0.0011635700000000, -0.0000997700000000, -0.0081276300000000 ]  - [   0.0006332900000000, -0.0002866600000000, -0.0080302400000000 ]  - [   0.0011635700000000,  0.0000997700000000, -0.0081276300000000 ]  - [   0.0006332900000000,  0.0002866600000000, -0.0080302400000000 ]  - [  -0.0010354300000000, -0.0000726000000000, -0.0077852000000000 ]  - [   0.0016068600000000, -0.0055979100000000, -0.0117422700000000 ]  - [  -0.0010354300000000,  0.0000726000000000, -0.0077852000000000 ]  - [   0.0016068600000000,  0.0055979100000000, -0.0117422700000000 ]  - [  -0.0009018500000000,  0.0000000000000000, -0.0079136900000000 ]  - [  -0.0006475200000000,  0.0000000000000000, -0.0076520900000000 ]  - [   0.0007947500000000,  0.0000000000000000,  0.0071742900000000 ]  - [   0.0007221400000000,  0.0000000000000000,  0.0075092700000000 ]  - [   0.0008099400000000, -0.0004134500000000,  0.0071407600000000 ]  - [   0.0007918000000000, -0.0001052400000000,  0.0075947500000000 ]  - [   0.0008099400000000,  0.0004134500000000,  0.0071407600000000 ]  - [   0.0007918000000000,  0.0001052400000000,  0.0075947500000000 ]  - [  -0.0060730500000000,  0.0000000000000000,  0.0443551100000000 ]  - [   0.0007743900000000,  0.0000000000000000,  0.0004554300000000 ]  - [  -0.0000213000000000, -0.0005986700000000,  0.0010994900000000 ]  - [   0.0006213900000000, -0.0001159900000000,  0.0002590200000000 ]  - [  -0.0000213000000000,  0.0005986700000000,  0.0010994900000000 ]  - [   0.0006213900000000,  0.0001159900000000,  0.0002590200000000 ]  - [  -0.0006958100000000,  0.0002143100000000,  0.0002066600000000 ]  - [  -0.0007419200000000,  0.0022232500000000, -0.0023095700000000 ]  - [  -0.0006958100000000, -0.0002143100000000,  0.0002066600000000 ]  - [  -0.0007419200000000, -0.0022232500000000, -0.0023095700000000 ]  - [  -0.0005589100000000,  0.0000000000000000,  0.0002457500000000 ]  - [  -0.0007244700000000,  0.0000000000000000,  0.0002554500000000 ]  - [  -0.0015743900000000,  0.0000000000000000, -0.0007369900000000 ]  - [   0.0012508700000000,  0.0000000000000000, -0.0007298500000000 ]  - [   0.0003047700000000,  0.0001638300000000, -0.0000979200000000 ]  - [   0.0011509100000000,  0.0003354000000000, -0.0000996600000000 ]  - [   0.0003047700000000, -0.0001638300000000, -0.0000979200000000 ]  - [   0.0011509100000000, -0.0003354000000000, -0.0000996600000000 ]  - [  -0.0007804200000000, -0.0000307100000000, -0.0009193900000000 ]  - [  -0.0006054200000000,  0.0000531400000000, -0.0010420000000000 ]  - [  -0.0007804200000000,  0.0000307100000000, -0.0009193900000000 ]  - [  -0.0006054200000000, -0.0000531400000000, -0.0010420000000000 ]  - [  -0.0007310100000000,  0.0000000000000000, -0.0008269500000000 ]  - [  -0.0006120200000000,  0.0000000000000000, -0.0006289200000000 ]  - [  -0.0025768300000000, -0.0007976300000000,  0.0009803600000000 ]  - [  -0.0014834800000000, -0.0007747400000000, -0.0001653900000000 ]  - [  -0.0025768300000000,  0.0007976300000000,  0.0009803600000000 ]  - [  -0.0014834800000000,  0.0007747400000000, -0.0001653900000000 ]  - [  -0.0019137200000000,  0.0000000000000000, -0.0005268600000000 ]  - [  -0.0016612800000000,  0.0000000000000000, -0.0008976700000000 ]  - [   0.0028055900000000,  0.0000000000000000, -0.0000783000000000 ]  - [   0.0004008400000000,  0.0000000000000000, -0.0030489100000000 ]  - [   0.0026135000000000, -0.0006173700000000, -0.0000732400000000 ]  - [   0.0010624500000000, -0.0013456100000000, -0.0013637000000000 ]  - [   0.0026135000000000,  0.0006173700000000, -0.0000732400000000 ]  - [   0.0010624500000000,  0.0013456100000000, -0.0013637000000000 ]  - [  -0.0021145500000000, -0.0004548700000000,  0.0012363600000000 ]  - [  -0.0017714500000000, -0.0006436000000000,  0.0023880600000000 ]  - [  -0.0021145500000000,  0.0004548700000000,  0.0012363600000000 ]  - [  -0.0017714500000000,  0.0006436000000000,  0.0023880600000000 ]  - [  -0.0019574100000000,  0.0000000000000000,  0.0015316000000000 ]  - [  -0.0016547300000000,  0.0000000000000000,  0.0017591000000000 ]  - [   0.0030023000000000,  0.0000000000000000, -0.0045412900000000 ]  - [   0.0015700800000000,  0.0000000000000000, -0.0014194000000000 ]  - [   0.0024915500000000, -0.0019149100000000, -0.0009182000000000 ]  - [   0.0017504700000000, -0.0002984500000000, -0.0007493200000000 ]  - [   0.0024915500000000,  0.0019149100000000, -0.0009182000000000 ]  - [   0.0017504700000000,  0.0002984500000000, -0.0007493200000000 ]  - [   0.0041317000000000,  0.0002365400000000,  0.0060226900000000 ]  - [   0.0029910600000000, -0.0000653500000000,  0.0073670800000000 ]  - [   0.0041317000000000, -0.0002365400000000,  0.0060226900000000 ]  - [   0.0029910600000000,  0.0000653500000000,  0.0073670800000000 ]  - [   0.0039482800000000,  0.0000000000000000,  0.0057501000000000 ]  - [   0.0037637200000000,  0.0000000000000000,  0.0058735700000000 ]  - [  -0.0034425800000000,  0.0000000000000000, -0.0037263700000000 ]  - [  -0.0039410700000000,  0.0000000000000000, -0.0046369200000000 ]  - [  -0.0032760700000000, -0.0004767900000000, -0.0043190300000000 ]  - [  -0.0037100900000000, -0.0000759300000000, -0.0048458000000000 ]  - [  -0.0032760700000000,  0.0004767900000000, -0.0043190300000000 ]  - [  -0.0037100900000000,  0.0000759300000000, -0.0048458000000000 ]  - [   0.0075480600000000,  0.0046802700000000, -0.0138528200000000 ]  - [   0.0038521200000000, -0.0004270900000000, -0.0062393300000000 ]  - [   0.0075480600000000, -0.0046802700000000, -0.0138528200000000 ]  - [   0.0038521200000000,  0.0004270900000000, -0.0062393300000000 ]  - [   0.0039080200000000,  0.0000000000000000, -0.0062546500000000 ]  - [   0.0038092100000000,  0.0000000000000000, -0.0057349400000000 ]  - [  -0.0046976100000000,  0.0000000000000000,  0.0047659000000000 ]  - [  -0.0038824500000000,  0.0000000000000000, -0.0015789100000000 ]  - [  -0.0039527300000000,  0.0000792600000000,  0.0050910500000000 ]  - [  -0.0028028000000000,  0.0009578000000000,  0.0047133300000000 ]  - [  -0.0039527300000000, -0.0000792600000000,  0.0050910500000000 ]  - [  -0.0028028000000000, -0.0009578000000000,  0.0047133300000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000872700000000,  0.0000000000000000,  0.0017975700000000 ]  - [  -0.0010355100000000,  0.0000000000000000,  0.0019387000000000 ]  - [  -0.0002214000000000, -0.0001354900000000,  0.0018379500000000 ]  - [  -0.0008714400000000,  0.0001704900000000,  0.0019822200000000 ]  - [  -0.0002214000000000,  0.0001354900000000,  0.0018379500000000 ]  - [  -0.0008714400000000, -0.0001704900000000,  0.0019822200000000 ]  - [  -0.0000819100000000,  0.0005325100000000, -0.0004646400000000 ]  - [  -0.0001969500000000, -0.0005469200000000, -0.0038189900000000 ]  - [   0.0006505600000000,  0.0000000000000000, -0.0011986700000000 ]  - [   0.0006160500000000,  0.0000000000000000, -0.0022543600000000 ]  - [  -0.0000819100000000, -0.0005325100000000, -0.0004646400000000 ]  - [  -0.0001969500000000,  0.0005469200000000, -0.0038189900000000 ]  - [   0.0001401700000000,  0.0000000000000000, -0.0031937800000000 ]  - [  -0.0016588800000000,  0.0000000000000000, -0.0008142300000000 ]  - [  -0.0001889900000000,  0.0003232000000000, -0.0021018700000000 ]  - [  -0.0010412400000000, -0.0006127000000000, -0.0012468500000000 ]  - [  -0.0001889900000000, -0.0003232000000000, -0.0021018700000000 ]  - [  -0.0010412400000000,  0.0006127000000000, -0.0012468500000000 ]  - [   0.0047122900000000,  0.0007718400000000, -0.0000736000000000 ]  - [  -0.0005272000000000,  0.0000631400000000,  0.0019470600000000 ]  - [   0.0009845300000000,  0.0000000000000000,  0.0020363200000000 ]  - [  -0.0000175600000000,  0.0000000000000000,  0.0017992700000000 ]  - [   0.0047122900000000, -0.0007718400000000, -0.0000736000000000 ]  - [  -0.0005272000000000, -0.0000631400000000,  0.0019470600000000 ]  - [  -0.0002767600000000,  0.0000000000000000,  0.0080717900000000 ]  - [  -0.0013496300000000,  0.0000000000000000,  0.0080340900000000 ]  - [  -0.0004806900000000, -0.0000261400000000,  0.0077682300000000 ]  - [  -0.0011503200000000,  0.0000111800000000,  0.0078931300000000 ]  - [  -0.0004806900000000,  0.0000261400000000,  0.0077682300000000 ]  - [  -0.0011503200000000, -0.0000111800000000,  0.0078931300000000 ]  - [   0.0085444000000000, -0.0016100100000000, -0.0095616400000000 ]  - [  -0.0012511100000000, -0.0010792800000000, -0.0078591900000000 ]  - [   0.0018915800000000,  0.0000000000000000, -0.0081591000000000 ]  - [   0.0001638000000000,  0.0000000000000000, -0.0076107500000000 ]  - [   0.0085444000000000,  0.0016100100000000, -0.0095616400000000 ]  - [  -0.0012511100000000,  0.0010792800000000, -0.0078591900000000 ]  - [  -0.0009418300000000,  0.0000000000000000, -0.0078225900000000 ]  - [  -0.0005993000000000,  0.0000000000000000, -0.0078128500000000 ]  - [  -0.0009131700000000,  0.0000052800000000, -0.0078641300000000 ]  - [  -0.0006986000000000, -0.0000931800000000, -0.0078243500000000 ]  - [  -0.0009131700000000, -0.0000052800000000, -0.0078641300000000 ]  - [  -0.0006986000000000,  0.0000931800000000, -0.0078243500000000 ]  - [   0.0127497500000000,  0.0088632700000000,  0.0128657900000000 ]  - [  -0.0008957300000000,  0.0002481700000000,  0.0078378600000000 ]  - [   0.0015690100000000,  0.0000000000000000,  0.0080331600000000 ]  - [  -0.0003025800000000,  0.0000000000000000,  0.0077346200000000 ]  - [   0.0127497500000000, -0.0088632700000000,  0.0128657900000000 ]  - [  -0.0008957300000000, -0.0002481700000000,  0.0078378600000000 ]  - [   0.0013406400000000, -0.0004399400000000,  0.0004495100000000 ]  - [   0.0000530800000000,  0.0000329700000000, -0.0006475900000000 ]  - [   0.0013467200000000,  0.0000000000000000, -0.0001400300000000 ]  - [   0.0003683500000000,  0.0000000000000000, -0.0003926100000000 ]  - [   0.0013406400000000,  0.0004399400000000,  0.0004495100000000 ]  - [   0.0000530800000000, -0.0000329700000000, -0.0006475900000000 ]  - [  -0.0027344100000000,  0.0000000000000000, -0.0007504900000000 ]  - [   0.0036839800000000,  0.0000000000000000,  0.0016223900000000 ]  - [  -0.0017608000000000,  0.0006222700000000, -0.0004822500000000 ]  - [  -0.0000041000000000, -0.0007151600000000,  0.0010689500000000 ]  - [  -0.0017608000000000, -0.0006222700000000, -0.0004822500000000 ]  - [  -0.0000041000000000,  0.0007151600000000,  0.0010689500000000 ]  - [   0.0012805800000000,  0.0002002700000000,  0.0003589100000000 ]  - [  -0.0000620500000000, -0.0000410600000000,  0.0000157600000000 ]  - [   0.0009992300000000,  0.0000000000000000,  0.0003965600000000 ]  - [   0.0000703300000000,  0.0000000000000000,  0.0000956500000000 ]  - [   0.0012805800000000, -0.0002002700000000,  0.0003589100000000 ]  - [  -0.0000620500000000,  0.0000410600000000,  0.0000157600000000 ]  - [   0.0057346000000000,  0.0000000000000000,  0.0010756700000000 ]  - [  -0.0018790100000000,  0.0000000000000000, -0.0004853900000000 ]  - [   0.0012188000000000,  0.0001472800000000,  0.0003522800000000 ]  - [  -0.0014113600000000, -0.0000772300000000, -0.0003799600000000 ]  - [   0.0012188000000000, -0.0001472800000000,  0.0003522800000000 ]  - [  -0.0014113600000000,  0.0000772300000000, -0.0003799600000000 ]  - [  -0.0775377900000000,  0.0000000000000000, -0.0088551900000000 ]  - [   0.0004372500000000,  0.0000000000000000, -0.0005707300000000 ]  - [  -0.0080277900000000,  0.0006401300000000, -0.0022306700000000 ]  - [  -0.0002859300000000,  0.0003829800000000, -0.0007421200000000 ]  - [  -0.0080277900000000, -0.0006401300000000, -0.0022306700000000 ]  - [  -0.0002859300000000, -0.0003829800000000, -0.0007421200000000 ]  - [   0.0017555400000000, -0.0003060200000000,  0.0011902300000000 ]  - [   0.0020024100000000,  0.0001154700000000,  0.0004485400000000 ]  - [   0.0018486700000000,  0.0000000000000000,  0.0007419400000000 ]  - [   0.0019138600000000,  0.0000000000000000,  0.0004493700000000 ]  - [   0.0017555400000000,  0.0003060200000000,  0.0011902300000000 ]  - [   0.0020024100000000, -0.0001154700000000,  0.0004485400000000 ]  - [   0.0112385700000000,  0.0000000000000000, -0.0064449900000000 ]  - [   0.0114228000000000,  0.0000000000000000,  0.0070770700000000 ]  - [   0.0003930200000000, -0.0033743500000000, -0.0009913400000000 ]  - [   0.0003966500000000,  0.0025856000000000,  0.0012544600000000 ]  - [   0.0003930200000000,  0.0033743500000000, -0.0009913400000000 ]  - [   0.0003966500000000, -0.0025856000000000,  0.0012544600000000 ]  - [   0.0014015000000000, -0.0000478900000000, -0.0009791200000000 ]  - [   0.0023470400000000, -0.0000877000000000, -0.0009132600000000 ]  - [   0.0015283200000000,  0.0000000000000000, -0.0004896100000000 ]  - [   0.0022316000000000,  0.0000000000000000, -0.0006774900000000 ]  - [   0.0014015000000000,  0.0000478900000000, -0.0009791200000000 ]  - [   0.0023470400000000,  0.0000877000000000, -0.0009132600000000 ]  - [   0.0043742200000000,  0.0000000000000000,  0.0037625100000000 ]  - [   0.0043509000000000,  0.0000000000000000,  0.0066854000000000 ]  - [   0.0033617200000000, -0.0002763000000000,  0.0048173900000000 ]  - [   0.0041466100000000,  0.0005882300000000,  0.0059567100000000 ]  - [   0.0033617200000000,  0.0002763000000000,  0.0048173900000000 ]  - [   0.0041466100000000, -0.0005882300000000,  0.0059567100000000 ]  - [  -0.0077204600000000, -0.0016284900000000, -0.0025380600000000 ]  - [  -0.0023929000000000,  0.0000565000000000, -0.0055684500000000 ]  - [  -0.0046403000000000,  0.0000000000000000, -0.0052387700000000 ]  - [  -0.0028451700000000,  0.0000000000000000, -0.0055171000000000 ]  - [  -0.0077204600000000,  0.0016284900000000, -0.0025380600000000 ]  - [  -0.0023929000000000, -0.0000565000000000, -0.0055684500000000 ]  - [  -0.0007094700000000,  0.0000000000000000, -0.0095042600000000 ]  - [   0.0050729000000000,  0.0000000000000000, -0.0048334900000000 ]  - [   0.0026555800000000, -0.0001163500000000, -0.0055179400000000 ]  - [   0.0045499300000000,  0.0001016200000000, -0.0050517800000000 ]  - [   0.0026555800000000,  0.0001163500000000, -0.0055179400000000 ]  - [   0.0045499300000000, -0.0001016200000000, -0.0050517800000000 ]  - [  -0.0015639700000000, -0.0027470800000000,  0.0109702100000000 ]  - [  -0.0006566100000000,  0.0035264800000000,  0.0030408400000000 ]  - [  -0.0040316700000000,  0.0000000000000000,  0.0060128100000000 ]  - [  -0.0031750100000000,  0.0000000000000000,  0.0050051200000000 ]  - [  -0.0015639700000000,  0.0027470800000000,  0.0109702100000000 ]  - [  -0.0006566100000000, -0.0035264800000000,  0.0030408400000000 ]- atom:   73  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012166100000000,  0.0000000000000000,  0.0018681900000000 ]  - [  -0.0000970200000000,  0.0000000000000000,  0.0017271100000000 ]  - [  -0.0009135200000000,  0.0001413100000000,  0.0018436400000000 ]  - [  -0.0002639100000000, -0.0001668400000000,  0.0016992600000000 ]  - [  -0.0009135200000000, -0.0001413100000000,  0.0018436400000000 ]  - [  -0.0002639100000000,  0.0001668400000000,  0.0016992600000000 ]  - [   0.0012223900000000, -0.0005437200000000, -0.0032372700000000 ]  - [   0.0013330100000000,  0.0005327300000000,  0.0001262600000000 ]  - [   0.0004802700000000,  0.0000000000000000, -0.0024670200000000 ]  - [   0.0005144600000000,  0.0000000000000000, -0.0014128200000000 ]  - [   0.0012223900000000,  0.0005437200000000, -0.0032372700000000 ]  - [   0.0013330100000000, -0.0005327300000000,  0.0001262600000000 ]  - [  -0.0012722300000000,  0.0000000000000000, -0.0004668700000000 ]  - [   0.0005272000000000,  0.0000000000000000, -0.0028536100000000 ]  - [  -0.0009538000000000, -0.0003111800000000, -0.0015870800000000 ]  - [  -0.0000929400000000,  0.0006129800000000, -0.0024371400000000 ]  - [  -0.0009538000000000,  0.0003111800000000, -0.0015870800000000 ]  - [  -0.0000929400000000, -0.0006129800000000, -0.0024371400000000 ]  - [  -0.0035843600000000, -0.0007587500000000,  0.0037244500000000 ]  - [   0.0016603500000000, -0.0000722600000000,  0.0017385600000000 ]  - [   0.0001432900000000,  0.0000000000000000,  0.0016383300000000 ]  - [   0.0011486000000000,  0.0000000000000000,  0.0018694100000000 ]  - [  -0.0035843600000000,  0.0007587500000000,  0.0037244500000000 ]  - [   0.0016603500000000,  0.0000722600000000,  0.0017385600000000 ]  - [  -0.0013694200000000,  0.0000000000000000,  0.0076651800000000 ]  - [  -0.0002972700000000,  0.0000000000000000,  0.0077067000000000 ]  - [  -0.0011586600000000,  0.0000304900000000,  0.0079709800000000 ]  - [  -0.0004891700000000, -0.0000070300000000,  0.0078500400000000 ]  - [  -0.0011586600000000, -0.0000304900000000,  0.0079709800000000 ]  - [  -0.0004891700000000,  0.0000070300000000,  0.0078500400000000 ]  - [  -0.0072096000000000,  0.0019178700000000, -0.0061215300000000 ]  - [   0.0028817400000000,  0.0010598700000000, -0.0078869100000000 ]  - [  -0.0002476000000000,  0.0000000000000000, -0.0075785500000000 ]  - [   0.0014886500000000,  0.0000000000000000, -0.0081328600000000 ]  - [  -0.0072096000000000, -0.0019178700000000, -0.0061215300000000 ]  - [   0.0028817400000000, -0.0010598700000000, -0.0078869100000000 ]  - [  -0.0007083700000000,  0.0000000000000000, -0.0079148700000000 ]  - [  -0.0010465700000000,  0.0000000000000000, -0.0079281000000000 ]  - [  -0.0007284900000000, -0.0000012500000000, -0.0078823800000000 ]  - [  -0.0009406500000000,  0.0000967900000000, -0.0079206500000000 ]  - [  -0.0007284900000000,  0.0000012500000000, -0.0078823800000000 ]  - [  -0.0009406500000000, -0.0000967900000000, -0.0079206500000000 ]  - [  -0.0109357600000000, -0.0085071700000000,  0.0030601200000000 ]  - [   0.0025410600000000, -0.0002594700000000,  0.0079037100000000 ]  - [   0.0000763400000000,  0.0000000000000000,  0.0077042800000000 ]  - [   0.0019469300000000,  0.0000000000000000,  0.0080024400000000 ]  - [  -0.0109357600000000,  0.0085071700000000,  0.0030601200000000 ]  - [   0.0025410600000000,  0.0002594700000000,  0.0079037100000000 ]  - [  -0.0000831900000000,  0.0004378700000000, -0.0008916900000000 ]  - [   0.0011901200000000, -0.0000327100000000,  0.0002045800000000 ]  - [  -0.0000831800000000,  0.0000000000000000, -0.0003056500000000 ]  - [   0.0008795600000000,  0.0000000000000000, -0.0000481300000000 ]  - [  -0.0000831900000000, -0.0004378700000000, -0.0008916900000000 ]  - [   0.0011901200000000,  0.0000327100000000,  0.0002045800000000 ]  - [   0.0014995800000000,  0.0000000000000000,  0.0011988800000000 ]  - [  -0.0045376300000000,  0.0000000000000000, -0.0013598100000000 ]  - [   0.0005144400000000, -0.0006265100000000,  0.0009280100000000 ]  - [  -0.0012317700000000,  0.0007120700000000, -0.0006242400000000 ]  - [   0.0005144400000000,  0.0006265100000000,  0.0009280100000000 ]  - [  -0.0012317700000000, -0.0007120700000000, -0.0006242400000000 ]  - [  -0.0000347000000000, -0.0001960400000000,  0.0000849600000000 ]  - [   0.0013082800000000,  0.0000425000000000,  0.0004263500000000 ]  - [   0.0002522400000000,  0.0000000000000000,  0.0000389900000000 ]  - [   0.0011824800000000,  0.0000000000000000,  0.0003424700000000 ]  - [  -0.0000347000000000,  0.0001960400000000,  0.0000849600000000 ]  - [   0.0013082800000000, -0.0000425000000000,  0.0004263500000000 ]  - [  -0.0070294900000000,  0.0000000000000000, -0.0014364000000000 ]  - [   0.0006217900000000,  0.0000000000000000,  0.0000391300000000 ]  - [  -0.0024682200000000, -0.0001556200000000, -0.0008069900000000 ]  - [   0.0001682300000000,  0.0000730600000000, -0.0000657600000000 ]  - [  -0.0024682200000000,  0.0001556200000000, -0.0008069900000000 ]  - [   0.0001682300000000, -0.0000730600000000, -0.0000657600000000 ]  - [   0.0737004500000000,  0.0000000000000000,  0.0073243000000000 ]  - [  -0.0042592500000000,  0.0000000000000000, -0.0006269300000000 ]  - [   0.0043028000000000, -0.0004690700000000,  0.0005093800000000 ]  - [  -0.0034558100000000, -0.0001729900000000, -0.0009697300000000 ]  - [   0.0043028000000000,  0.0004690700000000,  0.0005093800000000 ]  - [  -0.0034558100000000,  0.0001729900000000, -0.0009697300000000 ]  - [   0.0019895300000000,  0.0001066300000000,  0.0005229400000000 ]  - [   0.0017394100000000, -0.0003161000000000,  0.0012615100000000 ]  - [   0.0019715500000000,  0.0000000000000000,  0.0004630200000000 ]  - [   0.0019015200000000,  0.0000000000000000,  0.0007494800000000 ]  - [   0.0019895300000000, -0.0001066300000000,  0.0005229400000000 ]  - [   0.0017394100000000,  0.0003161000000000,  0.0012615100000000 ]  - [  -0.0152528700000000,  0.0000000000000000,  0.0077626200000000 ]  - [  -0.0150675800000000,  0.0000000000000000, -0.0057696500000000 ]  - [  -0.0041536800000000,  0.0036008500000000,  0.0027059400000000 ]  - [  -0.0041495300000000, -0.0023757300000000,  0.0004610200000000 ]  - [  -0.0041536800000000, -0.0036008500000000,  0.0027059400000000 ]  - [  -0.0041495300000000,  0.0023757300000000,  0.0004610200000000 ]  - [   0.0023380200000000, -0.0001521300000000, -0.0007299500000000 ]  - [   0.0013963200000000, -0.0001136200000000, -0.0007967600000000 ]  - [   0.0022884200000000,  0.0000000000000000, -0.0007058100000000 ]  - [   0.0015873400000000,  0.0000000000000000, -0.0005201300000000 ]  - [   0.0023380200000000,  0.0001521300000000, -0.0007299500000000 ]  - [   0.0013963200000000,  0.0001136200000000, -0.0007967600000000 ]  - [   0.0028732100000000,  0.0000000000000000,  0.0070242600000000 ]  - [   0.0028805900000000,  0.0000000000000000,  0.0041088800000000 ]  - [   0.0039979000000000,  0.0003736300000000,  0.0058898700000000 ]  - [   0.0032105900000000, -0.0004901700000000,  0.0047457300000000 ]  - [   0.0039979000000000, -0.0003736300000000,  0.0058898700000000 ]  - [   0.0032105900000000,  0.0004901700000000,  0.0047457300000000 ]  - [   0.0003556100000000,  0.0015205000000000, -0.0081738800000000 ]  - [  -0.0049667800000000, -0.0001500100000000, -0.0051322400000000 ]  - [  -0.0025854300000000,  0.0000000000000000, -0.0055530100000000 ]  - [  -0.0043875100000000,  0.0000000000000000, -0.0052729000000000 ]  - [   0.0003556100000000, -0.0015205000000000, -0.0081738800000000 ]  - [  -0.0049667800000000,  0.0001500100000000, -0.0051322400000000 ]  - [   0.0078709200000000,  0.0000000000000000, -0.0012605700000000 ]  - [   0.0021595700000000,  0.0000000000000000, -0.0059671200000000 ]  - [   0.0046846500000000,  0.0001959200000000, -0.0051711600000000 ]  - [   0.0028110600000000, -0.0000028100000000, -0.0056550400000000 ]  - [   0.0046846500000000, -0.0001959200000000, -0.0051711600000000 ]  - [   0.0028110600000000,  0.0000028100000000, -0.0056550400000000 ]  - [  -0.0057894900000000,  0.0026836700000000, -0.0003146000000000 ]  - [  -0.0066812600000000, -0.0035959400000000,  0.0076425600000000 ]  - [  -0.0031939800000000,  0.0000000000000000,  0.0047700200000000 ]  - [  -0.0040633700000000,  0.0000000000000000,  0.0057873500000000 ]  - [  -0.0057894900000000, -0.0026836700000000, -0.0003146000000000 ]  - [  -0.0066812600000000,  0.0035959400000000,  0.0076425600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005634200000000,  0.0012995500000000,  0.0018340200000000 ]  - [  -0.0005664000000000,  0.0003822000000000,  0.0018337700000000 ]  - [  -0.0007022800000000, -0.0006135100000000,  0.0014941700000000 ]  - [  -0.0004544400000000, -0.0002148800000000,  0.0018787200000000 ]  - [  -0.0004313800000000, -0.0006214300000000,  0.0021878900000000 ]  - [  -0.0006796600000000, -0.0002216100000000,  0.0018047400000000 ]  - [   0.0007632600000000,  0.0006087500000000, -0.0025489700000000 ]  - [  -0.0012054600000000,  0.0005308800000000, -0.0041660100000000 ]  - [   0.0005661500000000, -0.0011820900000000, -0.0018344000000000 ]  - [   0.0005635400000000, -0.0010247400000000, -0.0018377400000000 ]  - [   0.0003703100000000,  0.0006103900000000, -0.0011445800000000 ]  - [   0.0023323200000000,  0.0005410300000000,  0.0004680900000000 ]  - [  -0.0005623000000000,  0.0030707900000000, -0.0018313300000000 ]  - [  -0.0005613900000000,  0.0003102000000000, -0.0018398200000000 ]  - [  -0.0001071500000000, -0.0015566200000000, -0.0010262500000000 ]  - [  -0.0005739700000000, -0.0001086900000000, -0.0019338800000000 ]  - [  -0.0010279100000000, -0.0015654900000000, -0.0026597800000000 ]  - [  -0.0005592000000000, -0.0001182500000000, -0.0017562000000000 ]  - [   0.0002628100000000,  0.0080481200000000,  0.0003208800000000 ]  - [   0.0004689500000000,  0.0001814900000000,  0.0020414200000000 ]  - [   0.0005642800000000, -0.0030223300000000,  0.0018379700000000 ]  - [   0.0005642800000000, -0.0003877000000000,  0.0018342000000000 ]  - [   0.0008667900000000,  0.0077618100000000,  0.0030632100000000 ]  - [   0.0006674400000000,  0.0001876100000000,  0.0016427600000000 ]  - [  -0.0008248900000000,  0.0003424300000000,  0.0078680900000000 ]  - [  -0.0008229500000000,  0.0002568500000000,  0.0078680600000000 ]  - [  -0.0008252400000000, -0.0001607100000000,  0.0084069000000000 ]  - [  -0.0008411000000000, -0.0001383700000000,  0.0079518900000000 ]  - [  -0.0008167400000000, -0.0001658100000000,  0.0073359400000000 ]  - [  -0.0007998000000000, -0.0001429500000000,  0.0077894900000000 ]  - [  -0.0007924600000000,  0.0070990800000000, -0.0072311000000000 ]  - [  -0.0000309800000000,  0.0007751800000000, -0.0077842800000000 ]  - [   0.0008286500000000, -0.0031383800000000, -0.0078718600000000 ]  - [   0.0008236400000000, -0.0016244400000000, -0.0078717800000000 ]  - [   0.0021356400000000,  0.0068140100000000, -0.0084763700000000 ]  - [   0.0016698200000000,  0.0007788700000000, -0.0079554100000000 ]  - [  -0.0008248400000000,  0.0002696000000000, -0.0078678900000000 ]  - [  -0.0008241100000000,  0.0003050700000000, -0.0078707600000000 ]  - [  -0.0007707900000000, -0.0001628900000000, -0.0079283900000000 ]  - [  -0.0008781400000000, -0.0001523900000000, -0.0080388400000000 ]  - [  -0.0008707400000000, -0.0001672500000000, -0.0078172600000000 ]  - [  -0.0007643100000000, -0.0001567300000000, -0.0077079200000000 ]  - [   0.0084510400000000,  0.0140936100000000,  0.0128919600000000 ]  - [   0.0014961400000000,  0.0004315800000000,  0.0077641600000000 ]  - [   0.0008203100000000, -0.0039189500000000,  0.0078658300000000 ]  - [   0.0008243200000000, -0.0010426000000000,  0.0078681800000000 ]  - [  -0.0063997800000000,  0.0136009200000000,  0.0031247500000000 ]  - [   0.0001464500000000,  0.0004367000000000,  0.0079755100000000 ]  - [   0.0000966100000000,  0.0005235500000000,  0.0003709000000000 ]  - [   0.0010344200000000,  0.0001884700000000,  0.0003504200000000 ]  - [   0.0006287300000000, -0.0012359300000000, -0.0002216200000000 ]  - [   0.0006270000000000, -0.0004130600000000, -0.0002219500000000 ]  - [   0.0011442800000000,  0.0005212100000000, -0.0008184300000000 ]  - [   0.0002166400000000,  0.0001880100000000, -0.0007952600000000 ]  - [  -0.0006229000000000,  0.0021150500000000,  0.0002223400000000 ]  - [  -0.0006000200000000,  0.0031007800000000,  0.0002062000000000 ]  - [   0.0001671000000000, -0.0010266000000000,  0.0006341200000000 ]  - [  -0.0025214000000000, -0.0011634300000000,  0.0013667600000000 ]  - [  -0.0014134000000000, -0.0010250800000000, -0.0001930900000000 ]  - [   0.0012614400000000, -0.0011630300000000, -0.0009126300000000 ]  - [   0.0010796300000000,  0.0002050600000000, -0.0002185000000000 ]  - [   0.0004949100000000,  0.0001716800000000, -0.0000303100000000 ]  - [   0.0006275000000000, -0.0004108500000000,  0.0002192600000000 ]  - [   0.0006260000000000, -0.0003272300000000,  0.0002194300000000 ]  - [   0.0001714900000000,  0.0001990100000000,  0.0006641700000000 ]  - [   0.0007512200000000,  0.0001697400000000,  0.0004740900000000 ]  - [  -0.0006326600000000,  0.0052258200000000, -0.0001942900000000 ]  - [  -0.0006279800000000,  0.0004454700000000, -0.0002229200000000 ]  - [  -0.0003164400000000, -0.0012152800000000, -0.0019393500000000 ]  - [  -0.0009747900000000, -0.0002297600000000, -0.0003185900000000 ]  - [  -0.0009267500000000, -0.0012125300000000,  0.0014798800000000 ]  - [  -0.0002724900000000, -0.0002282600000000, -0.0001294100000000 ]  - [  -0.0020365100000000, -0.0831111300000000, -0.0005223500000000 ]  - [  -0.0019113300000000, -0.0014180300000000, -0.0005999700000000 ]  - [  -0.0024642700000000,  0.0165301100000000, -0.0010784700000000 ]  - [  -0.0021868500000000,  0.0008130300000000, -0.0006662400000000 ]  - [  -0.0012796200000000,  0.0161090300000000, -0.0006316000000000 ]  - [  -0.0015559200000000,  0.0006113400000000, -0.0010462100000000 ]  - [   0.0016292000000000, -0.0005258800000000,  0.0007312100000000 ]  - [   0.0020510400000000, -0.0001364700000000,  0.0010780600000000 ]  - [   0.0019101400000000,  0.0008977900000000,  0.0005987500000000 ]  - [   0.0019104600000000,  0.0000748700000000,  0.0005990500000000 ]  - [   0.0021167300000000, -0.0003243700000000,  0.0009725500000000 ]  - [   0.0016951000000000,  0.0000671900000000,  0.0006328400000000 ]  - [  -0.0018848400000000, -0.0089325000000000,  0.0005989700000000 ]  - [  -0.0019192400000000, -0.0089324000000000,  0.0005799300000000 ]  - [  -0.0043985600000000,  0.0043181300000000,  0.0025204400000000 ]  - [   0.0015872200000000,  0.0043190600000000,  0.0010222400000000 ]  - [   0.0006381800000000,  0.0041082100000000, -0.0008097900000000 ]  - [  -0.0053126800000000,  0.0041066500000000,  0.0006957900000000 ]  - [   0.0018852000000000, -0.0003937500000000, -0.0012219700000000 ]  - [   0.0018472000000000, -0.0001358100000000, -0.0011780600000000 ]  - [   0.0019098900000000,  0.0006016500000000, -0.0006003700000000 ]  - [   0.0019095300000000,  0.0000943000000000, -0.0006007600000000 ]  - [   0.0018569400000000, -0.0001916600000000, -0.0004905200000000 ]  - [   0.0018962700000000,  0.0000676600000000, -0.0005354300000000 ]  - [   0.0036240700000000, -0.0005850200000000,  0.0053856600000000 ]  - [   0.0036149100000000, -0.0019812100000000,  0.0053946700000000 ]  - [   0.0031169000000000,  0.0005018200000000,  0.0060651000000000 ]  - [   0.0040712400000000,  0.0010267400000000,  0.0060240200000000 ]  - [   0.0042371700000000,  0.0004086800000000,  0.0046383600000000 ]  - [   0.0032877700000000,  0.0009296900000000,  0.0046794600000000 ]  - [  -0.0053434600000000, -0.0009165200000000,  0.0005657100000000 ]  - [  -0.0038485800000000, -0.0002133000000000, -0.0050389400000000 ]  - [  -0.0036143100000000,  0.0018473100000000, -0.0053942300000000 ]  - [  -0.0036153200000000,  0.0003467200000000, -0.0053958400000000 ]  - [  -0.0020328400000000, -0.0007977500000000, -0.0112417900000000 ]  - [  -0.0035052200000000, -0.0001163700000000, -0.0056667400000000 ]  - [   0.0036242300000000, -0.0086852100000000, -0.0053750200000000 ]  - [   0.0036131600000000, -0.0005306300000000, -0.0053970300000000 ]  - [   0.0052603800000000,  0.0039769000000000, -0.0083174900000000 ]  - [   0.0032790300000000,  0.0003374000000000, -0.0057056200000000 ]  - [   0.0020950400000000,  0.0038674800000000, -0.0024083700000000 ]  - [   0.0040766700000000,  0.0002398800000000, -0.0049998900000000 ]  - [  -0.0082961500000000, -0.0005621200000000,  0.0011210100000000 ]  - [  -0.0025605700000000, -0.0006374100000000,  0.0048074500000000 ]  - [  -0.0036180300000000,  0.0018973300000000,  0.0053921000000000 ]  - [  -0.0036130500000000,  0.0014723500000000,  0.0053921400000000 ]  - [   0.0009383900000000, -0.0004628100000000,  0.0095828500000000 ]  - [  -0.0048071600000000, -0.0005116800000000,  0.0059013400000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0015158200000000,  0.0000000000000000, -0.0000074900000000 ]  - [  -0.0001690000000000,  0.0000000000000000,  0.0013525700000000 ]  - [  -0.0008838800000000, -0.0006840300000000,  0.0007585800000000 ]  - [  -0.0005350300000000, -0.0001885600000000,  0.0013371200000000 ]  - [  -0.0008838800000000,  0.0006840300000000,  0.0007585800000000 ]  - [  -0.0005350300000000,  0.0001885600000000,  0.0013371200000000 ]  - [   0.0018118800000000, -0.0012404500000000, -0.0016810500000000 ]  - [  -0.0005681000000000, -0.0002311400000000, -0.0027357800000000 ]  - [   0.0008193000000000,  0.0000000000000000, -0.0016033600000000 ]  - [   0.0004498600000000,  0.0000000000000000, -0.0019430400000000 ]  - [   0.0018118800000000,  0.0012404500000000, -0.0016810500000000 ]  - [  -0.0005681000000000,  0.0002311400000000, -0.0027357800000000 ]  - [  -0.0015799100000000,  0.0000000000000000, -0.0037952300000000 ]  - [  -0.0000767300000000,  0.0000000000000000, -0.0024704800000000 ]  - [  -0.0012317600000000,  0.0010497400000000, -0.0029005100000000 ]  - [  -0.0002366300000000,  0.0004076900000000, -0.0022613700000000 ]  - [  -0.0012317600000000, -0.0010497400000000, -0.0029005100000000 ]  - [  -0.0002366300000000, -0.0004076900000000, -0.0022613700000000 ]  - [  -0.0002752200000000, -0.0025650900000000,  0.0110270800000000 ]  - [   0.0007213500000000,  0.0000668700000000,  0.0022968100000000 ]  - [   0.0003157000000000,  0.0000000000000000,  0.0029804600000000 ]  - [   0.0005025500000000,  0.0000000000000000,  0.0022267700000000 ]  - [  -0.0002752200000000,  0.0025650900000000,  0.0110270800000000 ]  - [   0.0007213500000000, -0.0000668700000000,  0.0022968100000000 ]  - [  -0.0007100900000000,  0.0000000000000000,  0.0063569000000000 ]  - [  -0.0006517500000000,  0.0000000000000000,  0.0075087800000000 ]  - [  -0.0007451100000000, -0.0000390700000000,  0.0070035800000000 ]  - [  -0.0007177300000000, -0.0000156600000000,  0.0076082500000000 ]  - [  -0.0007451100000000,  0.0000390700000000,  0.0070035800000000 ]  - [  -0.0007177300000000,  0.0000156600000000,  0.0076082500000000 ]  - [  -0.0015642400000000,  0.0010087200000000, -0.0037067400000000 ]  - [   0.0003377400000000,  0.0002594600000000, -0.0068774800000000 ]  - [   0.0008846400000000,  0.0000000000000000, -0.0073598800000000 ]  - [   0.0005883100000000,  0.0000000000000000, -0.0072350400000000 ]  - [  -0.0015642400000000, -0.0010087200000000, -0.0037067400000000 ]  - [   0.0003377400000000, -0.0002594600000000, -0.0068774800000000 ]  - [  -0.0008541300000000,  0.0000000000000000, -0.0091410200000000 ]  - [  -0.0010842400000000,  0.0000000000000000, -0.0087442500000000 ]  - [  -0.0009672700000000, -0.0000401800000000, -0.0084391600000000 ]  - [  -0.0009272200000000,  0.0000852500000000, -0.0084276900000000 ]  - [  -0.0009672700000000,  0.0000401800000000, -0.0084391600000000 ]  - [  -0.0009272200000000, -0.0000852500000000, -0.0084276900000000 ]  - [   0.0055061100000000,  0.0057296400000000,  0.0153420200000000 ]  - [   0.0010529900000000, -0.0001473500000000,  0.0082253200000000 ]  - [   0.0012153800000000,  0.0000000000000000,  0.0084107800000000 ]  - [   0.0007241800000000,  0.0000000000000000,  0.0080692000000000 ]  - [   0.0055061100000000, -0.0057296400000000,  0.0153420200000000 ]  - [   0.0010529900000000,  0.0001473500000000,  0.0082253200000000 ]  - [   0.0019373100000000,  0.0006058900000000, -0.0017975100000000 ]  - [   0.0002092200000000,  0.0000675200000000, -0.0006581000000000 ]  - [   0.0015593900000000,  0.0000000000000000, -0.0008021100000000 ]  - [   0.0001725800000000,  0.0000000000000000, -0.0004332800000000 ]  - [   0.0019373100000000, -0.0006058900000000, -0.0017975100000000 ]  - [   0.0002092200000000, -0.0000675200000000, -0.0006581000000000 ]  - [  -0.0014136100000000,  0.0000000000000000,  0.0013994500000000 ]  - [   0.0013139600000000,  0.0000000000000000,  0.0042920400000000 ]  - [  -0.0008661700000000,  0.0002330000000000,  0.0008882800000000 ]  - [   0.0001032400000000,  0.0002941100000000,  0.0021780000000000 ]  - [  -0.0008661700000000, -0.0002330000000000,  0.0008882800000000 ]  - [   0.0001032400000000, -0.0002941100000000,  0.0021780000000000 ]  - [   0.0007864800000000, -0.0006275300000000, -0.0015685700000000 ]  - [   0.0003673800000000, -0.0000923800000000, -0.0004126700000000 ]  - [   0.0006113600000000,  0.0000000000000000, -0.0004260300000000 ]  - [   0.0004705700000000,  0.0000000000000000, -0.0001978400000000 ]  - [   0.0007864800000000,  0.0006275300000000, -0.0015685700000000 ]  - [   0.0003673800000000,  0.0000923800000000, -0.0004126700000000 ]  - [  -0.0010917300000000,  0.0000000000000000,  0.0031753500000000 ]  - [  -0.0009206400000000,  0.0000000000000000,  0.0000882200000000 ]  - [   0.0000003700000000, -0.0009308400000000,  0.0000941800000000 ]  - [  -0.0008697900000000, -0.0001028200000000, -0.0000737000000000 ]  - [   0.0000003700000000,  0.0009308400000000,  0.0000941800000000 ]  - [  -0.0008697900000000,  0.0001028200000000, -0.0000737000000000 ]  - [  -0.0100942500000000,  0.0000000000000000, -0.0667904400000000 ]  - [  -0.0018806100000000,  0.0000000000000000, -0.0014569700000000 ]  - [  -0.0032428900000000,  0.0005626900000000, -0.0065536400000000 ]  - [  -0.0017564500000000,  0.0001659100000000, -0.0013800100000000 ]  - [  -0.0032428900000000, -0.0005626900000000, -0.0065536400000000 ]  - [  -0.0017564500000000, -0.0001659100000000, -0.0013800100000000 ]  - [   0.0022024800000000, -0.0004718400000000,  0.0028220300000000 ]  - [   0.0014674400000000, -0.0001324300000000,  0.0018011500000000 ]  - [   0.0020487800000000,  0.0000000000000000,  0.0018471700000000 ]  - [   0.0017591800000000,  0.0000000000000000,  0.0012217400000000 ]  - [   0.0022024800000000,  0.0004718400000000,  0.0028220300000000 ]  - [   0.0014674400000000,  0.0001324300000000,  0.0018011500000000 ]  - [  -0.0083335700000000,  0.0000000000000000, -0.0019560000000000 ]  - [   0.0051935300000000,  0.0000000000000000, -0.0019290200000000 ]  - [  -0.0022635400000000,  0.0005124800000000,  0.0003294200000000 ]  - [  -0.0000253600000000,  0.0020215300000000,  0.0003411300000000 ]  - [  -0.0022635400000000, -0.0005124800000000,  0.0003294200000000 ]  - [  -0.0000253600000000, -0.0020215300000000,  0.0003411300000000 ]  - [   0.0019968300000000,  0.0000138400000000,  0.0009897300000000 ]  - [   0.0019280500000000, -0.0000340400000000, -0.0001436300000000 ]  - [   0.0018017300000000,  0.0000000000000000,  0.0004766900000000 ]  - [   0.0019868800000000,  0.0000000000000000,  0.0000434700000000 ]  - [   0.0019968300000000, -0.0000138400000000,  0.0009897300000000 ]  - [   0.0019280500000000,  0.0000340400000000, -0.0001436300000000 ]  - [   0.0002303800000000,  0.0000000000000000,  0.0097720900000000 ]  - [   0.0045586100000000,  0.0000000000000000,  0.0065044600000000 ]  - [   0.0034425600000000,  0.0006975600000000,  0.0060843000000000 ]  - [   0.0041531500000000,  0.0005067600000000,  0.0060611300000000 ]  - [   0.0034425600000000, -0.0006975600000000,  0.0060843000000000 ]  - [   0.0041531500000000, -0.0005067600000000,  0.0060611300000000 ]  - [  -0.0005552800000000,  0.0051829200000000,  0.0005922500000000 ]  - [  -0.0039501700000000,  0.0000275800000000, -0.0052949800000000 ]  - [  -0.0033990500000000,  0.0000000000000000, -0.0050212700000000 ]  - [  -0.0036097300000000,  0.0000000000000000, -0.0053674900000000 ]  - [  -0.0005552800000000, -0.0051829200000000,  0.0005922500000000 ]  - [  -0.0039501700000000, -0.0000275800000000, -0.0052949800000000 ]  - [  -0.0013196400000000,  0.0000000000000000,  0.0094508300000000 ]  - [   0.0037257200000000,  0.0000000000000000, -0.0054121500000000 ]  - [   0.0019381600000000, -0.0032775900000000, -0.0028995500000000 ]  - [   0.0037949800000000,  0.0000074900000000, -0.0055105600000000 ]  - [   0.0019381600000000,  0.0032775900000000, -0.0028995500000000 ]  - [   0.0037949800000000, -0.0000074900000000, -0.0055105600000000 ]  - [   0.0015561700000000, -0.0022286300000000,  0.0053491300000000 ]  - [  -0.0058037300000000, -0.0022550300000000,  0.0059175000000000 ]  - [  -0.0029482600000000,  0.0000000000000000,  0.0044725700000000 ]  - [  -0.0039363500000000,  0.0000000000000000,  0.0049943300000000 ]  - [   0.0015561700000000,  0.0022286300000000,  0.0053491300000000 ]  - [  -0.0058037300000000,  0.0022550300000000,  0.0059175000000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0003745100000000,  0.0000000000000000,  0.0036679100000000 ]  - [  -0.0009594900000000,  0.0000000000000000,  0.0023175000000000 ]  - [  -0.0002528600000000,  0.0006854700000000,  0.0029245000000000 ]  - [  -0.0005992400000000,  0.0001928400000000,  0.0023469300000000 ]  - [  -0.0002528600000000, -0.0006854700000000,  0.0029245000000000 ]  - [  -0.0005992400000000, -0.0001928400000000,  0.0023469300000000 ]  - [  -0.0006590000000000,  0.0012204600000000, -0.0019995000000000 ]  - [   0.0016962100000000,  0.0002248200000000, -0.0009471500000000 ]  - [   0.0003126300000000,  0.0000000000000000, -0.0020577300000000 ]  - [   0.0006801000000000,  0.0000000000000000, -0.0017217000000000 ]  - [  -0.0006590000000000, -0.0012204600000000, -0.0019995000000000 ]  - [   0.0016962100000000, -0.0002248200000000, -0.0009471500000000 ]  - [   0.0004637300000000,  0.0000000000000000,  0.0001427900000000 ]  - [  -0.0010517900000000,  0.0000000000000000, -0.0012077900000000 ]  - [   0.0000971500000000, -0.0010485500000000, -0.0007851400000000 ]  - [  -0.0008981800000000, -0.0004019200000000, -0.0014276700000000 ]  - [   0.0000971500000000,  0.0010485500000000, -0.0007851400000000 ]  - [  -0.0008981800000000,  0.0004019200000000, -0.0014276700000000 ]  - [   0.0014223900000000,  0.0029181600000000, -0.0076905300000000 ]  - [   0.0004131600000000, -0.0000727200000000,  0.0013857000000000 ]  - [   0.0008145600000000,  0.0000000000000000,  0.0006845400000000 ]  - [   0.0006262400000000,  0.0000000000000000,  0.0014394600000000 ]  - [   0.0014223900000000, -0.0029181600000000, -0.0076905300000000 ]  - [   0.0004131600000000,  0.0000727200000000,  0.0013857000000000 ]  - [  -0.0009370300000000,  0.0000000000000000,  0.0093894700000000 ]  - [  -0.0009955700000000,  0.0000000000000000,  0.0082272600000000 ]  - [  -0.0008977400000000,  0.0000405700000000,  0.0087371100000000 ]  - [  -0.0009236500000000,  0.0000196900000000,  0.0081333300000000 ]  - [  -0.0008977400000000, -0.0000405700000000,  0.0087371100000000 ]  - [  -0.0009236500000000, -0.0000196900000000,  0.0081333300000000 ]  - [   0.0031693000000000, -0.0009957900000000, -0.0120466700000000 ]  - [   0.0013032200000000, -0.0002657200000000, -0.0088683700000000 ]  - [   0.0007672900000000,  0.0000000000000000, -0.0083816600000000 ]  - [   0.0010621200000000,  0.0000000000000000, -0.0085095400000000 ]  - [   0.0031693000000000,  0.0009957900000000, -0.0120466700000000 ]  - [   0.0013032200000000,  0.0002657200000000, -0.0088683700000000 ]  - [  -0.0007909100000000,  0.0000000000000000, -0.0065963000000000 ]  - [  -0.0005697800000000,  0.0000000000000000, -0.0069973200000000 ]  - [  -0.0006728200000000,  0.0000428800000000, -0.0073043700000000 ]  - [  -0.0007166700000000, -0.0000828300000000, -0.0073165500000000 ]  - [  -0.0006728200000000, -0.0000428800000000, -0.0073043700000000 ]  - [  -0.0007166700000000,  0.0000828300000000, -0.0073165500000000 ]  - [  -0.0037520100000000, -0.0055818700000000,  0.0004455100000000 ]  - [   0.0005825600000000,  0.0001407200000000,  0.0075195700000000 ]  - [   0.0004299000000000,  0.0000000000000000,  0.0073282600000000 ]  - [   0.0009208300000000,  0.0000000000000000,  0.0076687600000000 ]  - [  -0.0037520100000000,  0.0055818700000000,  0.0004455100000000 ]  - [   0.0005825600000000, -0.0001407200000000,  0.0075195700000000 ]  - [  -0.0007009700000000, -0.0006145900000000,  0.0013579900000000 ]  - [   0.0010428000000000, -0.0000669300000000,  0.0002086300000000 ]  - [  -0.0002975900000000,  0.0000000000000000,  0.0003547100000000 ]  - [   0.0010839100000000,  0.0000000000000000, -0.0000112600000000 ]  - [  -0.0007009700000000,  0.0006145900000000,  0.0013579900000000 ]  - [   0.0010428000000000,  0.0000669300000000,  0.0002086300000000 ]  - [   0.0001610300000000,  0.0000000000000000, -0.0009643800000000 ]  - [  -0.0024403400000000,  0.0000000000000000, -0.0039421400000000 ]  - [  -0.0003838100000000, -0.0002330700000000, -0.0004511900000000 ]  - [  -0.0013603400000000, -0.0003022600000000, -0.0017316000000000 ]  - [  -0.0003838100000000,  0.0002330700000000, -0.0004511900000000 ]  - [  -0.0013603400000000,  0.0003022600000000, -0.0017316000000000 ]  - [   0.0004647100000000,  0.0006242300000000,  0.0020086900000000 ]  - [   0.0008805200000000,  0.0000934200000000,  0.0008595300000000 ]  - [   0.0006427800000000,  0.0000000000000000,  0.0008690000000000 ]  - [   0.0007841700000000,  0.0000000000000000,  0.0006406800000000 ]  - [   0.0004647100000000, -0.0006242300000000,  0.0020086900000000 ]  - [   0.0008805200000000, -0.0000934200000000,  0.0008595300000000 ]  - [  -0.0003268900000000,  0.0000000000000000, -0.0031279900000000 ]  - [  -0.0003353100000000,  0.0000000000000000, -0.0005269000000000 ]  - [  -0.0012435900000000,  0.0009251500000000, -0.0005313600000000 ]  - [  -0.0003765000000000,  0.0001004600000000, -0.0003703100000000 ]  - [  -0.0012435900000000, -0.0009251500000000, -0.0005313600000000 ]  - [  -0.0003765000000000, -0.0001004600000000, -0.0003703100000000 ]  - [   0.0060911500000000,  0.0000000000000000,  0.0659873500000000 ]  - [  -0.0019345400000000,  0.0000000000000000,  0.0002584300000000 ]  - [  -0.0005003000000000, -0.0003963600000000,  0.0048609600000000 ]  - [  -0.0019819900000000,  0.0000354100000000, -0.0003317100000000 ]  - [  -0.0005003000000000,  0.0003963600000000,  0.0048609600000000 ]  - [  -0.0019819900000000, -0.0000354100000000, -0.0003317100000000 ]  - [   0.0015331100000000,  0.0002807300000000, -0.0011165200000000 ]  - [   0.0022792300000000, -0.0000670500000000, -0.0000886300000000 ]  - [   0.0017677700000000,  0.0000000000000000, -0.0006477700000000 ]  - [   0.0020569700000000,  0.0000000000000000, -0.0000221900000000 ]  - [   0.0015331100000000, -0.0002807300000000, -0.0011165200000000 ]  - [   0.0022792300000000,  0.0000670500000000, -0.0000886300000000 ]  - [   0.0045125800000000,  0.0000000000000000,  0.0030838600000000 ]  - [  -0.0090128600000000,  0.0000000000000000,  0.0031111900000000 ]  - [  -0.0014684000000000, -0.0003252000000000,  0.0013610900000000 ]  - [  -0.0037229600000000, -0.0018211600000000,  0.0013734500000000 ]  - [  -0.0014684000000000,  0.0003252000000000,  0.0013610900000000 ]  - [  -0.0037229600000000,  0.0018211600000000,  0.0013734500000000 ]  - [   0.0017440300000000, -0.0002063400000000, -0.0026998000000000 ]  - [   0.0018088400000000, -0.0001664600000000, -0.0015687000000000 ]  - [   0.0020149600000000,  0.0000000000000000, -0.0016762600000000 ]  - [   0.0018265400000000,  0.0000000000000000, -0.0012430900000000 ]  - [   0.0017440300000000,  0.0002063400000000, -0.0026998000000000 ]  - [   0.0018088400000000,  0.0001664600000000, -0.0015687000000000 ]  - [   0.0069747800000000,  0.0000000000000000,  0.0010535200000000 ]  - [   0.0026780000000000,  0.0000000000000000,  0.0042739300000000 ]  - [   0.0039170600000000, -0.0005966100000000,  0.0046106800000000 ]  - [   0.0032078900000000, -0.0004076300000000,  0.0046331100000000 ]  - [   0.0039170600000000,  0.0005966100000000,  0.0046106800000000 ]  - [   0.0032078900000000,  0.0004076300000000,  0.0046331100000000 ]  - [  -0.0067610800000000, -0.0052032700000000, -0.0112185500000000 ]  - [  -0.0034128200000000, -0.0001237200000000, -0.0054107600000000 ]  - [  -0.0038353900000000,  0.0000000000000000, -0.0057728300000000 ]  - [  -0.0036266800000000,  0.0000000000000000, -0.0054229000000000 ]  - [  -0.0067610800000000,  0.0052032700000000, -0.0112185500000000 ]  - [  -0.0034128200000000,  0.0001237200000000, -0.0054107600000000 ]  - [   0.0086292300000000,  0.0000000000000000, -0.0204567800000000 ]  - [   0.0035083100000000,  0.0000000000000000, -0.0053714000000000 ]  - [   0.0054201700000000,  0.0034004000000000, -0.0078144700000000 ]  - [   0.0035657800000000,  0.0000899000000000, -0.0051848800000000 ]  - [   0.0054201700000000, -0.0034004000000000, -0.0078144700000000 ]  - [   0.0035657800000000, -0.0000899000000000, -0.0051848800000000 ]  - [  -0.0089492600000000,  0.0021490800000000,  0.0053757200000000 ]  - [  -0.0015541000000000,  0.0021512200000000,  0.0047849700000000 ]  - [  -0.0042911700000000,  0.0000000000000000,  0.0063203200000000 ]  - [  -0.0032984400000000,  0.0000000000000000,  0.0057929300000000 ]  - [  -0.0089492600000000, -0.0021490800000000,  0.0053757200000000 ]  - [  -0.0015541000000000, -0.0021512200000000,  0.0047849700000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0029377900000000,  0.0000000000000000,  0.0012962600000000 ]  - [   0.0150513500000000,  0.0000000000000000,  0.0006078100000000 ]  - [  -0.0016501100000000, -0.0013824500000000,  0.0016500200000000 ]  - [  -0.0001798000000000,  0.0015314300000000,  0.0021361800000000 ]  - [  -0.0016501100000000,  0.0013824500000000,  0.0016500200000000 ]  - [  -0.0001798000000000, -0.0015314300000000,  0.0021361800000000 ]  - [   0.0058669500000000, -0.0023879800000000,  0.0003723400000000 ]  - [  -0.0005456000000000, -0.0001894200000000, -0.0017284500000000 ]  - [   0.0013628700000000,  0.0000000000000000, -0.0011719200000000 ]  - [   0.0000171000000000,  0.0000000000000000, -0.0016852600000000 ]  - [   0.0058669500000000,  0.0023879800000000,  0.0003723400000000 ]  - [  -0.0005456000000000,  0.0001894200000000, -0.0017284500000000 ]  - [   0.0000454600000000,  0.0000000000000000, -0.0017577600000000 ]  - [  -0.0011423300000000,  0.0000000000000000, -0.0014608400000000 ]  - [  -0.0002682500000000, -0.0000511100000000, -0.0020923300000000 ]  - [  -0.0008861300000000,  0.0000521700000000, -0.0017473200000000 ]  - [  -0.0002682500000000,  0.0000511100000000, -0.0020923300000000 ]  - [  -0.0008861300000000, -0.0000521700000000, -0.0017473200000000 ]  - [   0.0009416400000000, -0.0001942100000000,  0.0018068600000000 ]  - [   0.0003318700000000,  0.0001195400000000,  0.0016118000000000 ]  - [   0.0007314400000000,  0.0000000000000000,  0.0017029700000000 ]  - [   0.0004389100000000,  0.0000000000000000,  0.0017311300000000 ]  - [   0.0009416400000000,  0.0001942100000000,  0.0018068600000000 ]  - [   0.0003318700000000, -0.0001195400000000,  0.0016118000000000 ]  - [  -0.0004950300000000,  0.0000000000000000,  0.0067734900000000 ]  - [  -0.0018420400000000,  0.0000000000000000,  0.0091493700000000 ]  - [  -0.0005601500000000, -0.0008241000000000,  0.0070389700000000 ]  - [  -0.0013993800000000,  0.0006278900000000,  0.0082804500000000 ]  - [  -0.0005601500000000,  0.0008241000000000,  0.0070389700000000 ]  - [  -0.0013993800000000, -0.0006278900000000,  0.0082804500000000 ]  - [   0.0021362300000000, -0.0008169100000000, -0.0079162700000000 ]  - [   0.0002236200000000,  0.0000688800000000, -0.0078843100000000 ]  - [   0.0016917600000000,  0.0000000000000000, -0.0080706100000000 ]  - [   0.0003845400000000,  0.0000000000000000, -0.0078690100000000 ]  - [   0.0021362300000000,  0.0008169100000000, -0.0079162700000000 ]  - [   0.0002236200000000, -0.0000688800000000, -0.0078843100000000 ]  - [   0.0070056200000000,  0.0000000000000000, -0.0126194700000000 ]  - [  -0.0021387900000000,  0.0000000000000000, -0.0083566300000000 ]  - [   0.0007301400000000,  0.0001106800000000, -0.0076613700000000 ]  - [  -0.0017051000000000, -0.0000463400000000, -0.0080136900000000 ]  - [   0.0007301400000000, -0.0001106800000000, -0.0076613700000000 ]  - [  -0.0017051000000000,  0.0000463400000000, -0.0080136900000000 ]  - [  -0.0000856800000000, -0.0008350600000000,  0.0086814100000000 ]  - [   0.0002172900000000,  0.0001210600000000,  0.0067912700000000 ]  - [   0.0007332700000000,  0.0000000000000000,  0.0079396200000000 ]  - [   0.0006600300000000,  0.0000000000000000,  0.0077464900000000 ]  - [  -0.0000856800000000,  0.0008350600000000,  0.0086814100000000 ]  - [   0.0002172900000000, -0.0001210600000000,  0.0067912700000000 ]  - [   0.0001451600000000, -0.0000760300000000, -0.0007378300000000 ]  - [   0.0011828500000000,  0.0002424400000000,  0.0004009100000000 ]  - [   0.0001852600000000,  0.0000000000000000, -0.0004274800000000 ]  - [   0.0009831600000000,  0.0000000000000000, -0.0002439600000000 ]  - [   0.0001451600000000,  0.0000760300000000, -0.0007378300000000 ]  - [   0.0011828500000000, -0.0002424400000000,  0.0004009100000000 ]  - [  -0.0002137200000000,  0.0000000000000000, -0.0000753400000000 ]  - [  -0.0013295700000000,  0.0000000000000000,  0.0004207600000000 ]  - [  -0.0002901900000000, -0.0000033100000000, -0.0001135300000000 ]  - [  -0.0009732500000000, -0.0000687200000000,  0.0003173700000000 ]  - [  -0.0002901900000000,  0.0000033100000000, -0.0001135300000000 ]  - [  -0.0009732500000000,  0.0000687200000000,  0.0003173700000000 ]  - [   0.0131590300000000,  0.0092643700000000,  0.0042917800000000 ]  - [  -0.0013978200000000,  0.0005662500000000,  0.0004581600000000 ]  - [   0.0014230700000000,  0.0000000000000000,  0.0003879100000000 ]  - [  -0.0000335600000000,  0.0000000000000000,  0.0002883400000000 ]  - [   0.0131590300000000, -0.0092643700000000,  0.0042917800000000 ]  - [  -0.0013978200000000, -0.0005662500000000,  0.0004581600000000 ]  - [   0.0038515900000000,  0.0000000000000000, -0.0006277100000000 ]  - [  -0.0024701000000000,  0.0000000000000000, -0.0011687100000000 ]  - [   0.0009499200000000, -0.0006060100000000,  0.0005915200000000 ]  - [  -0.0018311700000000,  0.0006472100000000, -0.0005551900000000 ]  - [   0.0009499200000000,  0.0006060100000000,  0.0005915200000000 ]  - [  -0.0018311700000000, -0.0006472100000000, -0.0005551900000000 ]  - [  -0.0011552200000000,  0.0000000000000000, -0.0039728400000000 ]  - [  -0.0011679500000000,  0.0000000000000000,  0.0003426600000000 ]  - [  -0.0021879300000000,  0.0005975600000000, -0.0010918000000000 ]  - [  -0.0013989400000000, -0.0003540300000000, -0.0003802900000000 ]  - [  -0.0021879300000000, -0.0005975600000000, -0.0010918000000000 ]  - [  -0.0013989400000000,  0.0003540300000000, -0.0003802900000000 ]  - [  -0.0021767300000000, -0.0017006700000000,  0.0039518200000000 ]  - [   0.0031566700000000, -0.0002075900000000,  0.0005865500000000 ]  - [   0.0008819000000000,  0.0000000000000000,  0.0008155600000000 ]  - [   0.0026775700000000,  0.0000000000000000,  0.0006061600000000 ]  - [  -0.0021767300000000,  0.0017006700000000,  0.0039518200000000 ]  - [   0.0031566700000000,  0.0002075900000000,  0.0005865500000000 ]  - [  -0.0061934600000000,  0.0000000000000000,  0.0055882900000000 ]  - [  -0.0004511500000000,  0.0000000000000000,  0.0004858600000000 ]  - [  -0.0028877000000000, -0.0015456000000000,  0.0025984600000000 ]  - [  -0.0010000200000000,  0.0004373000000000,  0.0007365800000000 ]  - [  -0.0028877000000000,  0.0015456000000000,  0.0025984600000000 ]  - [  -0.0010000200000000, -0.0004373000000000,  0.0007365800000000 ]  - [   0.0048759900000000,  0.0010940400000000,  0.0012771300000000 ]  - [   0.0039824900000000, -0.0046422900000000, -0.0060809200000000 ]  - [   0.0023478500000000,  0.0000000000000000, -0.0002744100000000 ]  - [   0.0014890100000000,  0.0000000000000000, -0.0012679700000000 ]  - [   0.0048759900000000, -0.0010940400000000,  0.0012771300000000 ]  - [   0.0039824900000000,  0.0046422900000000, -0.0060809200000000 ]  - [  -0.0658456800000000,  0.0000000000000000,  0.0021901100000000 ]  - [   0.0067695100000000,  0.0000000000000000,  0.0054347900000000 ]  - [  -0.0024295100000000,  0.0013132100000000,  0.0019437100000000 ]  - [   0.0052271600000000, -0.0002435600000000,  0.0055658800000000 ]  - [  -0.0024295100000000, -0.0013132100000000,  0.0019437100000000 ]  - [   0.0052271600000000,  0.0002435600000000,  0.0055658800000000 ]  - [   0.0037720400000000,  0.0059903000000000, -0.0088674600000000 ]  - [  -0.0001340500000000, -0.0040173100000000, -0.0023954100000000 ]  - [  -0.0038096900000000,  0.0000000000000000, -0.0062497400000000 ]  - [  -0.0033690600000000,  0.0000000000000000, -0.0051015400000000 ]  - [   0.0037720400000000, -0.0059903000000000, -0.0088674600000000 ]  - [  -0.0001340500000000,  0.0040173100000000, -0.0023954100000000 ]  - [   0.0035604000000000,  0.0000000000000000, -0.0045943100000000 ]  - [   0.0035643500000000,  0.0000000000000000, -0.0058415400000000 ]  - [   0.0036887300000000,  0.0000932400000000, -0.0048594600000000 ]  - [   0.0036911900000000, -0.0001607000000000, -0.0054247900000000 ]  - [   0.0036887300000000, -0.0000932400000000, -0.0048594600000000 ]  - [   0.0036911900000000,  0.0001607000000000, -0.0054247900000000 ]  - [  -0.0043423000000000, -0.0002231700000000,  0.0052045800000000 ]  - [  -0.0029650400000000, -0.0000761200000000,  0.0053802900000000 ]  - [  -0.0041014900000000,  0.0000000000000000,  0.0056249300000000 ]  - [  -0.0031276200000000,  0.0000000000000000,  0.0054573100000000 ]  - [  -0.0043423000000000,  0.0002231700000000,  0.0052045800000000 ]  - [  -0.0029650400000000,  0.0000761200000000,  0.0053802900000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0017690400000000,  0.0000000000000000,  0.0023628700000000 ]  - [  -0.0171549100000000,  0.0000000000000000,  0.0031616400000000 ]  - [   0.0005097200000000,  0.0013793200000000,  0.0020330900000000 ]  - [  -0.0009595000000000, -0.0015340500000000,  0.0015527700000000 ]  - [   0.0005097200000000, -0.0013793200000000,  0.0020330900000000 ]  - [  -0.0009595000000000,  0.0015340500000000,  0.0015527700000000 ]  - [  -0.0047734000000000,  0.0024396000000000, -0.0041024100000000 ]  - [   0.0016820100000000,  0.0001780300000000, -0.0019515300000000 ]  - [  -0.0002327700000000,  0.0000000000000000, -0.0024940200000000 ]  - [   0.0011147000000000,  0.0000000000000000, -0.0019814700000000 ]  - [  -0.0047734000000000, -0.0024396000000000, -0.0041024100000000 ]  - [   0.0016820100000000, -0.0001780300000000, -0.0019515300000000 ]  - [  -0.0011744200000000,  0.0000000000000000, -0.0019132600000000 ]  - [   0.0000134400000000,  0.0000000000000000, -0.0022142600000000 ]  - [  -0.0008670200000000,  0.0000579100000000, -0.0015928000000000 ]  - [  -0.0002501300000000, -0.0000466800000000, -0.0019391400000000 ]  - [  -0.0008670200000000, -0.0000579100000000, -0.0015928000000000 ]  - [  -0.0002501300000000,  0.0000466800000000, -0.0019391400000000 ]  - [   0.0001953300000000,  0.0001898200000000,  0.0018782400000000 ]  - [   0.0008027400000000, -0.0001262600000000,  0.0020726900000000 ]  - [   0.0004004700000000,  0.0000000000000000,  0.0019675700000000 ]  - [   0.0006902800000000,  0.0000000000000000,  0.0019392700000000 ]  - [   0.0001953300000000, -0.0001898200000000,  0.0018782400000000 ]  - [   0.0008027400000000,  0.0001262600000000,  0.0020726900000000 ]  - [  -0.0011538300000000,  0.0000000000000000,  0.0089606500000000 ]  - [   0.0001950300000000,  0.0000000000000000,  0.0065756900000000 ]  - [  -0.0010768500000000,  0.0008316500000000,  0.0087056000000000 ]  - [  -0.0002415100000000, -0.0006257400000000,  0.0074604600000000 ]  - [  -0.0010768500000000, -0.0008316500000000,  0.0087056000000000 ]  - [  -0.0002415100000000,  0.0006257400000000,  0.0074604600000000 ]  - [  -0.0004914200000000,  0.0008114000000000, -0.0078222500000000 ]  - [   0.0014165600000000, -0.0000745900000000, -0.0078562800000000 ]  - [  -0.0000388900000000,  0.0000000000000000, -0.0076683300000000 ]  - [   0.0012624500000000,  0.0000000000000000, -0.0078671900000000 ]  - [  -0.0004914200000000, -0.0008114000000000, -0.0078222500000000 ]  - [   0.0014165600000000,  0.0000745900000000, -0.0078562800000000 ]  - [  -0.0086808700000000,  0.0000000000000000, -0.0030191900000000 ]  - [   0.0004860300000000,  0.0000000000000000, -0.0073894600000000 ]  - [  -0.0023747400000000, -0.0001094600000000, -0.0080821900000000 ]  - [   0.0000646000000000,  0.0000487800000000, -0.0077297500000000 ]  - [  -0.0023747400000000,  0.0001094600000000, -0.0080821900000000 ]  - [   0.0000646000000000, -0.0000487800000000, -0.0077297500000000 ]  - [   0.0017271300000000,  0.0008304100000000,  0.0070675600000000 ]  - [   0.0014157100000000, -0.0001237200000000,  0.0089495400000000 ]  - [   0.0009167600000000,  0.0000000000000000,  0.0077998900000000 ]  - [   0.0009859900000000,  0.0000000000000000,  0.0079917000000000 ]  - [   0.0017271300000000, -0.0008304100000000,  0.0070675600000000 ]  - [   0.0014157100000000,  0.0001237200000000,  0.0089495400000000 ]  - [   0.0011047800000000,  0.0000762400000000,  0.0002889400000000 ]  - [   0.0000591400000000, -0.0002357700000000, -0.0008433400000000 ]  - [   0.0010725800000000,  0.0000000000000000, -0.0000150400000000 ]  - [   0.0002708300000000,  0.0000000000000000, -0.0001999400000000 ]  - [   0.0011047800000000, -0.0000762400000000,  0.0002889400000000 ]  - [   0.0000591400000000,  0.0002357700000000, -0.0008433400000000 ]  - [  -0.0010424200000000,  0.0000000000000000,  0.0005169600000000 ]  - [   0.0000778500000000,  0.0000000000000000,  0.0000215600000000 ]  - [  -0.0009585100000000,  0.0000021600000000,  0.0005600700000000 ]  - [  -0.0002730400000000,  0.0000667700000000,  0.0001307400000000 ]  - [  -0.0009585100000000, -0.0000021600000000,  0.0005600700000000 ]  - [  -0.0002730400000000, -0.0000667700000000,  0.0001307400000000 ]  - [  -0.0117005200000000, -0.0088542900000000, -0.0036594900000000 ]  - [   0.0026480300000000, -0.0005672900000000, -0.0000116900000000 ]  - [  -0.0001636000000000,  0.0000000000000000,  0.0000540800000000 ]  - [   0.0012891600000000,  0.0000000000000000,  0.0001533800000000 ]  - [  -0.0117005200000000,  0.0088542900000000, -0.0036594900000000 ]  - [   0.0026480300000000,  0.0005672900000000, -0.0000116900000000 ]  - [  -0.0049460800000000,  0.0000000000000000, -0.0000395100000000 ]  - [   0.0012218100000000,  0.0000000000000000,  0.0007388300000000 ]  - [  -0.0021945700000000,  0.0005975800000000, -0.0010353500000000 ]  - [   0.0005858200000000, -0.0006508700000000,  0.0001113700000000 ]  - [  -0.0021945700000000, -0.0005975800000000, -0.0010353500000000 ]  - [   0.0005858200000000,  0.0006508700000000,  0.0001113700000000 ]  - [  -0.0026574500000000,  0.0000000000000000,  0.0027690800000000 ]  - [  -0.0026392400000000,  0.0000000000000000, -0.0015405200000000 ]  - [  -0.0015531400000000, -0.0003967400000000, -0.0006192200000000 ]  - [  -0.0023362500000000,  0.0005546600000000, -0.0013287300000000 ]  - [  -0.0015531400000000,  0.0003967400000000, -0.0006192200000000 ]  - [  -0.0023362500000000, -0.0005546600000000, -0.0013287300000000 ]  - [   0.0059019900000000,  0.0014845600000000, -0.0022497800000000 ]  - [   0.0005848100000000,  0.0000101200000000,  0.0011258300000000 ]  - [   0.0029391700000000,  0.0000000000000000,  0.0003826000000000 ]  - [   0.0011381100000000,  0.0000000000000000,  0.0005922400000000 ]  - [   0.0059019900000000, -0.0014845600000000, -0.0022497800000000 ]  - [   0.0005848100000000, -0.0000101200000000,  0.0011258300000000 ]  - [   0.0023856500000000,  0.0000000000000000, -0.0043586700000000 ]  - [  -0.0033660000000000,  0.0000000000000000,  0.0007056400000000 ]  - [  -0.0008600200000000,  0.0017450900000000, -0.0008828400000000 ]  - [  -0.0027405500000000, -0.0002342800000000,  0.0009674700000000 ]  - [  -0.0008600200000000, -0.0017450900000000, -0.0008828400000000 ]  - [  -0.0027405500000000,  0.0002342800000000,  0.0009674700000000 ]  - [  -0.0011463300000000, -0.0012791200000000, -0.0029754700000000 ]  - [  -0.0002405200000000,  0.0044669600000000,  0.0044202400000000 ]  - [   0.0014619300000000,  0.0000000000000000, -0.0009160800000000 ]  - [   0.0023297400000000,  0.0000000000000000,  0.0000721500000000 ]  - [  -0.0011463300000000,  0.0012791200000000, -0.0029754700000000 ]  - [  -0.0002405200000000, -0.0044669600000000,  0.0044202400000000 ]  - [   0.0735257600000000,  0.0000000000000000,  0.0083582900000000 ]  - [   0.0004707700000000,  0.0000000000000000,  0.0053508300000000 ]  - [   0.0097865200000000, -0.0012707500000000,  0.0087543900000000 ]  - [   0.0021290500000000,  0.0003422100000000,  0.0051355900000000 ]  - [   0.0097865200000000,  0.0012707500000000,  0.0087543900000000 ]  - [   0.0021290500000000, -0.0003422100000000,  0.0051355900000000 ]  - [  -0.0110523800000000, -0.0060148500000000, -0.0018810500000000 ]  - [  -0.0072508600000000,  0.0039590500000000, -0.0083424300000000 ]  - [  -0.0034245800000000,  0.0000000000000000, -0.0045382200000000 ]  - [  -0.0038572900000000,  0.0000000000000000, -0.0056916900000000 ]  - [  -0.0110523800000000,  0.0060148500000000, -0.0018810500000000 ]  - [  -0.0072508600000000, -0.0039590500000000, -0.0083424300000000 ]  - [   0.0036680200000000,  0.0000000000000000, -0.0061895700000000 ]  - [   0.0036729200000000,  0.0000000000000000, -0.0049442900000000 ]  - [   0.0036651900000000,  0.0000049800000000, -0.0058437500000000 ]  - [   0.0036683000000000,  0.0002548800000000, -0.0052760700000000 ]  - [   0.0036651900000000, -0.0000049800000000, -0.0058437500000000 ]  - [   0.0036683000000000, -0.0002548800000000, -0.0052760700000000 ]  - [  -0.0030133000000000,  0.0001254600000000,  0.0054930100000000 ]  - [  -0.0043901900000000, -0.0000181500000000,  0.0053228500000000 ]  - [  -0.0031284800000000,  0.0000000000000000,  0.0051643300000000 ]  - [  -0.0041030300000000,  0.0000000000000000,  0.0053317000000000 ]  - [  -0.0030133000000000, -0.0001254600000000,  0.0054930100000000 ]  - [  -0.0043901900000000,  0.0000181500000000,  0.0053228500000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005717600000000,  0.0024615700000000,  0.0018366900000000 ]  - [  -0.0005797400000000,  0.0060434100000000,  0.0018265800000000 ]  - [  -0.0015183600000000, -0.0013274600000000,  0.0019845400000000 ]  - [   0.0006416500000000, -0.0013505600000000,  0.0011600900000000 ]  - [   0.0003783100000000, -0.0013352300000000,  0.0017001800000000 ]  - [  -0.0017638000000000, -0.0013541900000000,  0.0025208700000000 ]  - [  -0.0026673400000000,  0.0134732900000000, -0.0091286500000000 ]  - [   0.0002541700000000,  0.0001779100000000, -0.0019179800000000 ]  - [   0.0005693700000000, -0.0038046000000000, -0.0018279200000000 ]  - [   0.0005644100000000, -0.0004373500000000, -0.0018358800000000 ]  - [   0.0035861300000000,  0.0130358700000000,  0.0050099300000000 ]  - [   0.0008800300000000,  0.0001840000000000, -0.0017681200000000 ]  - [  -0.0005633300000000,  0.0007870300000000, -0.0018331300000000 ]  - [  -0.0005659900000000,  0.0001962300000000, -0.0018339300000000 ]  - [  -0.0005574700000000, -0.0003962900000000, -0.0021270300000000 ]  - [  -0.0005073500000000, -0.0001036800000000, -0.0019186900000000 ]  - [  -0.0005772400000000, -0.0004053300000000, -0.0015601400000000 ]  - [  -0.0006278200000000, -0.0001105900000000, -0.0017677100000000 ]  - [   0.0004115400000000,  0.0001772900000000,  0.0021613200000000 ]  - [   0.0006671800000000,  0.0001564900000000,  0.0021247600000000 ]  - [   0.0005653000000000, -0.0003584200000000,  0.0018360200000000 ]  - [   0.0005652100000000, -0.0002812400000000,  0.0018361500000000 ]  - [   0.0007244000000000,  0.0001818200000000,  0.0015260400000000 ]  - [   0.0004685700000000,  0.0001616600000000,  0.0015609500000000 ]  - [  -0.0008264800000000,  0.0026629600000000,  0.0078599700000000 ]  - [  -0.0008268800000000,  0.0003252100000000,  0.0078714900000000 ]  - [  -0.0010319500000000, -0.0011879400000000,  0.0072471700000000 ]  - [  -0.0007149300000000, -0.0001382300000000,  0.0077497100000000 ]  - [  -0.0006091800000000, -0.0011978000000000,  0.0084940400000000 ]  - [  -0.0009255100000000, -0.0001499000000000,  0.0079927900000000 ]  - [   0.0005703700000000,  0.0006581800000000, -0.0070035900000000 ]  - [   0.0009332700000000,  0.0001653900000000, -0.0078894800000000 ]  - [   0.0008260600000000, -0.0013093100000000, -0.0078681900000000 ]  - [   0.0008242000000000, -0.0003545300000000, -0.0078691400000000 ]  - [   0.0010681500000000,  0.0006622800000000, -0.0087362800000000 ]  - [   0.0007068900000000,  0.0001690600000000, -0.0078532400000000 ]  - [  -0.0008119200000000,  0.0059581800000000, -0.0078836500000000 ]  - [  -0.0008240800000000,  0.0007217700000000, -0.0078689600000000 ]  - [  -0.0000662100000000, -0.0014735400000000, -0.0089727000000000 ]  - [  -0.0011077200000000, -0.0003522600000000, -0.0080076600000000 ]  - [  -0.0015667400000000, -0.0014725500000000, -0.0067827300000000 ]  - [  -0.0005349700000000, -0.0003589400000000, -0.0077370600000000 ]  - [   0.0006235800000000,  0.0001705100000000,  0.0085537300000000 ]  - [   0.0025619900000000,  0.0003943000000000,  0.0096801500000000 ]  - [   0.0008230900000000, -0.0005292700000000,  0.0078695600000000 ]  - [   0.0008266600000000, -0.0009268600000000,  0.0078714300000000 ]  - [   0.0010162400000000,  0.0001734900000000,  0.0071916600000000 ]  - [  -0.0009200900000000,  0.0004021800000000,  0.0060627600000000 ]  - [   0.0005797900000000,  0.0001440400000000, -0.0005552900000000 ]  - [   0.0010072000000000,  0.0002040100000000, -0.0002536700000000 ]  - [   0.0006272000000000, -0.0003186700000000, -0.0002211200000000 ]  - [   0.0006287200000000, -0.0003618800000000, -0.0002242800000000 ]  - [   0.0006661700000000,  0.0001433900000000,  0.0001082200000000 ]  - [   0.0002402600000000,  0.0001963400000000, -0.0001856000000000 ]  - [  -0.0006257900000000,  0.0002628500000000,  0.0002223800000000 ]  - [  -0.0006271600000000,  0.0002180100000000,  0.0002207600000000 ]  - [  -0.0006335700000000, -0.0001625800000000,  0.0006001500000000 ]  - [  -0.0007633500000000, -0.0001160200000000,  0.0002009000000000 ]  - [  -0.0006134600000000, -0.0001615900000000, -0.0001523800000000 ]  - [  -0.0004843100000000, -0.0001148100000000,  0.0002462800000000 ]  - [   0.0083928700000000,  0.0122473200000000,  0.0052021800000000 ]  - [   0.0006811600000000,  0.0003584100000000, -0.0001070600000000 ]  - [   0.0006191700000000, -0.0030954000000000,  0.0002162100000000 ]  - [   0.0006297200000000, -0.0004664100000000,  0.0002199700000000 ]  - [  -0.0066926300000000,  0.0118598400000000, -0.0044861900000000 ]  - [   0.0005573600000000,  0.0003493100000000,  0.0005529300000000 ]  - [  -0.0006512200000000,  0.0043158000000000, -0.0001938300000000 ]  - [  -0.0006287900000000,  0.0010587100000000, -0.0002239400000000 ]  - [  -0.0019358300000000, -0.0011276500000000,  0.0008365200000000 ]  - [  -0.0003725000000000, -0.0005385100000000, -0.0000462100000000 ]  - [   0.0006822400000000, -0.0011239200000000, -0.0012747200000000 ]  - [  -0.0008752800000000, -0.0005410600000000, -0.0004011400000000 ]  - [  -0.0019095000000000, -0.0006897300000000, -0.0005977100000000 ]  - [  -0.0019072300000000, -0.0020855800000000, -0.0005971100000000 ]  - [  -0.0015825000000000,  0.0006090700000000, -0.0012472700000000 ]  - [  -0.0024470900000000,  0.0011306100000000, -0.0010574500000000 ]  - [  -0.0021566700000000,  0.0004080700000000, -0.0004656200000000 ]  - [  -0.0012932400000000,  0.0009325500000000, -0.0006538600000000 ]  - [   0.0002488500000000, -0.0009197000000000,  0.0063128600000000 ]  - [   0.0019382600000000, -0.0002136000000000,  0.0011837900000000 ]  - [   0.0019124100000000,  0.0017421800000000,  0.0006042800000000 ]  - [   0.0019090900000000,  0.0002415700000000,  0.0005995500000000 ]  - [   0.0034727200000000, -0.0006880600000000, -0.0045826300000000 ]  - [   0.0018077400000000, -0.0000084300000000,  0.0005221000000000 ]  - [  -0.0018952600000000, -0.0087903800000000,  0.0006192200000000 ]  - [  -0.0019061600000000, -0.0006351100000000,  0.0005989200000000 ]  - [  -0.0017582700000000,  0.0040758500000000, -0.0027491000000000 ]  - [  -0.0019594300000000,  0.0004425300000000,  0.0005576000000000 ]  - [  -0.0019953100000000,  0.0038751500000000,  0.0044394600000000 ]  - [  -0.0017802500000000,  0.0002412700000000,  0.0011505000000000 ]  - [   0.0054010700000000, -0.0006151900000000,  0.0010950900000000 ]  - [  -0.0008842800000000, -0.0005801500000000,  0.0010802900000000 ]  - [   0.0019117600000000,  0.0013679400000000, -0.0005966500000000 ]  - [   0.0019048400000000,  0.0017926300000000, -0.0005966800000000 ]  - [  -0.0016455500000000, -0.0004270700000000, -0.0027989500000000 ]  - [   0.0046214400000000, -0.0003388900000000, -0.0027867000000000 ]  - [   0.0034038700000000, -0.0898484100000000,  0.0055364900000000 ]  - [   0.0036225800000000, -0.0002956200000000,  0.0053957800000000 ]  - [   0.0023115600000000,  0.0175834200000000,  0.0054281700000000 ]  - [   0.0039110200000000,  0.0001772500000000,  0.0054148900000000 ]  - [   0.0050212700000000,  0.0172688600000000,  0.0052784200000000 ]  - [   0.0034508200000000,  0.0000847900000000,  0.0052900400000000 ]  - [   0.0022737700000000,  0.0000997500000000, -0.0101822300000000 ]  - [  -0.0077358400000000, -0.0009663000000000, -0.0041428500000000 ]  - [  -0.0036113500000000,  0.0019871200000000, -0.0053958800000000 ]  - [  -0.0036200500000000,  0.0014756200000000, -0.0053975700000000 ]  - [  -0.0096047400000000,  0.0002022600000000, -0.0005432500000000 ]  - [   0.0003651900000000, -0.0008415400000000, -0.0065426100000000 ]  - [   0.0036166200000000, -0.0005003300000000, -0.0053931400000000 ]  - [   0.0036179700000000, -0.0005005700000000, -0.0053982600000000 ]  - [   0.0038247700000000,  0.0002932900000000, -0.0050958500000000 ]  - [   0.0035735400000000,  0.0002906100000000, -0.0054319600000000 ]  - [   0.0035348600000000,  0.0001966300000000, -0.0056087500000000 ]  - [   0.0037871500000000,  0.0001989000000000, -0.0052733600000000 ]  - [  -0.0039171800000000, -0.0001653300000000,  0.0050935800000000 ]  - [  -0.0037697100000000, -0.0001161300000000,  0.0053079600000000 ]  - [  -0.0036164300000000,  0.0004465400000000,  0.0053950600000000 ]  - [  -0.0036162400000000,  0.0001339500000000,  0.0053947400000000 ]  - [  -0.0034428600000000, -0.0000668500000000,  0.0056041800000000 ]  - [  -0.0035859500000000, -0.0000190200000000,  0.0053946100000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0006268600000000,  0.0000000000000000,  0.0034375900000000 ]  - [  -0.0013037800000000,  0.0000000000000000,  0.0083885000000000 ]  - [  -0.0009233100000000, -0.0002577000000000,  0.0029882200000000 ]  - [  -0.0006114900000000,  0.0002853200000000,  0.0037462300000000 ]  - [  -0.0009233100000000,  0.0002577000000000,  0.0029882200000000 ]  - [  -0.0006114900000000, -0.0002853200000000,  0.0037462300000000 ]  - [   0.0037218000000000, -0.0080285200000000,  0.0085035700000000 ]  - [   0.0008129500000000,  0.0000197100000000, -0.0013356400000000 ]  - [   0.0006761700000000,  0.0000000000000000, -0.0009737700000000 ]  - [   0.0005751700000000,  0.0000000000000000, -0.0013104900000000 ]  - [   0.0037218000000000,  0.0080285200000000,  0.0085035700000000 ]  - [   0.0008129500000000, -0.0000197100000000, -0.0013356400000000 ]  - [  -0.0008478900000000,  0.0000000000000000, -0.0041586500000000 ]  - [  -0.0003671800000000,  0.0000000000000000, -0.0023354000000000 ]  - [  -0.0005144100000000, -0.0003725200000000, -0.0028863100000000 ]  - [  -0.0004562900000000,  0.0000305400000000, -0.0021939600000000 ]  - [  -0.0005144100000000,  0.0003725200000000, -0.0028863100000000 ]  - [  -0.0004562900000000, -0.0000305400000000, -0.0021939600000000 ]  - [   0.0007523100000000, -0.0000067200000000,  0.0006264600000000 ]  - [   0.0006520200000000,  0.0000284300000000,  0.0009250300000000 ]  - [   0.0006374000000000,  0.0000000000000000,  0.0011129000000000 ]  - [   0.0006475600000000,  0.0000000000000000,  0.0011581600000000 ]  - [   0.0007523100000000,  0.0000067200000000,  0.0006264600000000 ]  - [   0.0006520200000000, -0.0000284300000000,  0.0009250300000000 ]  - [  -0.0020127800000000,  0.0000000000000000,  0.0074350700000000 ]  - [   0.0005671300000000,  0.0000000000000000,  0.0075133000000000 ]  - [  -0.0014888800000000, -0.0009758700000000,  0.0075826200000000 ]  - [  -0.0003976800000000, -0.0006527100000000,  0.0075698900000000 ]  - [  -0.0014888800000000,  0.0009758700000000,  0.0075826200000000 ]  - [  -0.0003976800000000,  0.0006527100000000,  0.0075698900000000 ]  - [   0.0011572900000000,  0.0014063200000000, -0.0099504500000000 ]  - [   0.0006238900000000,  0.0000724600000000, -0.0081014700000000 ]  - [   0.0011938200000000,  0.0000000000000000, -0.0084167000000000 ]  - [   0.0006984600000000,  0.0000000000000000, -0.0080546800000000 ]  - [   0.0011572900000000, -0.0014063200000000, -0.0099504500000000 ]  - [   0.0006238900000000, -0.0000724600000000, -0.0081014700000000 ]  - [  -0.0052821100000000,  0.0000000000000000,  0.0147649000000000 ]  - [  -0.0009149700000000,  0.0000000000000000, -0.0075918400000000 ]  - [  -0.0005073500000000, -0.0017601100000000, -0.0074297300000000 ]  - [  -0.0010127800000000, -0.0001745300000000, -0.0076677700000000 ]  - [  -0.0005073500000000,  0.0017601100000000, -0.0074297300000000 ]  - [  -0.0010127800000000,  0.0001745300000000, -0.0076677700000000 ]  - [   0.0017391200000000,  0.0010998900000000,  0.0079347300000000 ]  - [  -0.0010347400000000,  0.0005701100000000,  0.0067526900000000 ]  - [   0.0010967100000000,  0.0000000000000000,  0.0079523400000000 ]  - [   0.0003348100000000,  0.0000000000000000,  0.0077809400000000 ]  - [   0.0017391200000000, -0.0010998900000000,  0.0079347300000000 ]  - [  -0.0010347400000000, -0.0005701100000000,  0.0067526900000000 ]  - [   0.0004451100000000, -0.0001348600000000, -0.0008491200000000 ]  - [   0.0013874400000000, -0.0006010200000000, -0.0021957400000000 ]  - [   0.0004727300000000,  0.0000000000000000, -0.0006626800000000 ]  - [   0.0008599600000000,  0.0000000000000000, -0.0007869700000000 ]  - [   0.0004451100000000,  0.0001348600000000, -0.0008491200000000 ]  - [   0.0013874400000000,  0.0006010200000000, -0.0021957400000000 ]  - [  -0.0006808600000000,  0.0000000000000000, -0.0013532000000000 ]  - [  -0.0003063700000000,  0.0000000000000000, -0.0004538900000000 ]  - [  -0.0007090200000000,  0.0000914300000000, -0.0008535100000000 ]  - [  -0.0004943900000000,  0.0000582900000000, -0.0003274900000000 ]  - [  -0.0007090200000000, -0.0000914300000000, -0.0008535100000000 ]  - [  -0.0004943900000000, -0.0000582900000000, -0.0003274900000000 ]  - [   0.0029607200000000,  0.0041801800000000,  0.0086997600000000 ]  - [   0.0008518500000000, -0.0001227300000000,  0.0010691900000000 ]  - [   0.0011745800000000,  0.0000000000000000,  0.0011637900000000 ]  - [   0.0005522500000000,  0.0000000000000000,  0.0006458000000000 ]  - [   0.0029607200000000, -0.0041801800000000,  0.0086997600000000 ]  - [   0.0008518500000000,  0.0001227300000000,  0.0010691900000000 ]  - [   0.0012968800000000,  0.0000000000000000,  0.0066461600000000 ]  - [  -0.0008483500000000,  0.0000000000000000,  0.0003202900000000 ]  - [   0.0003395800000000,  0.0007343600000000,  0.0004615700000000 ]  - [  -0.0007777800000000,  0.0002360100000000,  0.0000796200000000 ]  - [   0.0003395800000000, -0.0007343600000000,  0.0004615700000000 ]  - [  -0.0007777800000000, -0.0002360100000000,  0.0000796200000000 ]  - [  -0.0035341600000000,  0.0000000000000000,  0.0037511500000000 ]  - [  -0.0006232800000000,  0.0000000000000000,  0.0005164800000000 ]  - [  -0.0024067700000000, -0.0005688800000000, -0.0001190600000000 ]  - [  -0.0012669500000000, -0.0005271800000000, -0.0001408400000000 ]  - [  -0.0024067700000000,  0.0005688800000000, -0.0001190600000000 ]  - [  -0.0012669500000000,  0.0005271800000000, -0.0001408400000000 ]  - [   0.0047089800000000,  0.0057972300000000,  0.0067947600000000 ]  - [   0.0016537000000000,  0.0001703200000000,  0.0009100400000000 ]  - [   0.0020680900000000,  0.0000000000000000,  0.0009742300000000 ]  - [   0.0017864500000000,  0.0000000000000000,  0.0006257100000000 ]  - [   0.0047089800000000, -0.0057972300000000,  0.0067947600000000 ]  - [   0.0016537000000000, -0.0001703200000000,  0.0009100400000000 ]  - [   0.0021804700000000,  0.0000000000000000,  0.0154583300000000 ]  - [  -0.0024756100000000,  0.0000000000000000,  0.0005794900000000 ]  - [  -0.0017037200000000, -0.0028042900000000,  0.0033146100000000 ]  - [  -0.0021733100000000, -0.0002087100000000,  0.0006921200000000 ]  - [  -0.0017037200000000,  0.0028042900000000,  0.0033146100000000 ]  - [  -0.0021733100000000,  0.0002087100000000,  0.0006921200000000 ]  - [   0.0041702100000000,  0.0004050400000000, -0.0002964300000000 ]  - [  -0.0037878000000000,  0.0040961800000000, -0.0008799100000000 ]  - [   0.0023016300000000,  0.0000000000000000, -0.0010006900000000 ]  - [   0.0012883500000000,  0.0000000000000000, -0.0015270100000000 ]  - [   0.0041702100000000, -0.0004050400000000, -0.0002964300000000 ]  - [  -0.0037878000000000, -0.0040961800000000, -0.0008799100000000 ]  - [   0.0007786000000000,  0.0000000000000000, -0.0760116100000000 ]  - [   0.0036615700000000,  0.0000000000000000,  0.0046134600000000 ]  - [   0.0002767500000000, -0.0000104900000000, -0.0004711800000000 ]  - [   0.0038967500000000,  0.0000282300000000,  0.0046181000000000 ]  - [   0.0002767500000000,  0.0000104900000000, -0.0004711800000000 ]  - [   0.0038967500000000, -0.0000282300000000,  0.0046181000000000 ]  - [  -0.0071691400000000, -0.0049038300000000, -0.0113240100000000 ]  - [  -0.0007079600000000,  0.0010995100000000, -0.0077926600000000 ]  - [  -0.0044722000000000,  0.0000000000000000, -0.0067497200000000 ]  - [  -0.0033213400000000,  0.0000000000000000, -0.0060181400000000 ]  - [  -0.0071691400000000,  0.0049038300000000, -0.0113240100000000 ]  - [  -0.0007079600000000, -0.0010995100000000, -0.0077926600000000 ]  - [   0.0040687800000000,  0.0000000000000000, -0.0037262100000000 ]  - [   0.0028172500000000,  0.0000000000000000, -0.0037277100000000 ]  - [   0.0037557700000000,  0.0000125600000000, -0.0042726700000000 ]  - [   0.0031869300000000,  0.0003485700000000, -0.0042719600000000 ]  - [   0.0037557700000000, -0.0000125600000000, -0.0042726700000000 ]  - [   0.0031869300000000, -0.0003485700000000, -0.0042719600000000 ]  - [  -0.0035358600000000,  0.0001661200000000,  0.0077148700000000 ]  - [  -0.0037082200000000, -0.0000477300000000,  0.0060932600000000 ]  - [  -0.0038477500000000,  0.0000000000000000,  0.0065907500000000 ]  - [  -0.0036799600000000,  0.0000000000000000,  0.0059952400000000 ]  - [  -0.0035358600000000, -0.0001661200000000,  0.0077148700000000 ]  - [  -0.0037082200000000,  0.0000477300000000,  0.0060932600000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005036000000000,  0.0000000000000000,  0.0002276600000000 ]  - [   0.0001295300000000,  0.0000000000000000, -0.0047291500000000 ]  - [  -0.0002142300000000,  0.0002609100000000,  0.0006943800000000 ]  - [  -0.0005230400000000, -0.0002847500000000, -0.0000575900000000 ]  - [  -0.0002142300000000, -0.0002609100000000,  0.0006943800000000 ]  - [  -0.0005230400000000,  0.0002847500000000, -0.0000575900000000 ]  - [  -0.0027428600000000,  0.0083771500000000, -0.0123997400000000 ]  - [   0.0003199000000000, -0.0000255900000000, -0.0023513200000000 ]  - [   0.0004531900000000,  0.0000000000000000, -0.0026981000000000 ]  - [   0.0005535000000000,  0.0000000000000000, -0.0023614000000000 ]  - [  -0.0027428600000000, -0.0083771500000000, -0.0123997400000000 ]  - [   0.0003199000000000,  0.0000255900000000, -0.0023513200000000 ]  - [  -0.0002902900000000,  0.0000000000000000,  0.0004755700000000 ]  - [  -0.0007638600000000,  0.0000000000000000, -0.0013353500000000 ]  - [  -0.0006223600000000,  0.0003771500000000, -0.0008008100000000 ]  - [  -0.0006803200000000, -0.0000240700000000, -0.0014916700000000 ]  - [  -0.0006223600000000, -0.0003771500000000, -0.0008008100000000 ]  - [  -0.0006803200000000,  0.0000240700000000, -0.0014916700000000 ]  - [   0.0003805100000000,  0.0000013000000000,  0.0030576300000000 ]  - [   0.0004843500000000, -0.0000352300000000,  0.0027582800000000 ]  - [   0.0004927600000000,  0.0000000000000000,  0.0025561300000000 ]  - [   0.0004831900000000,  0.0000000000000000,  0.0025098800000000 ]  - [   0.0003805100000000, -0.0000013000000000,  0.0030576300000000 ]  - [   0.0004843500000000,  0.0000352300000000,  0.0027582800000000 ]  - [   0.0003450200000000,  0.0000000000000000,  0.0083064300000000 ]  - [  -0.0022057200000000,  0.0000000000000000,  0.0082277200000000 ]  - [  -0.0001588100000000,  0.0009752800000000,  0.0081604700000000 ]  - [  -0.0012424500000000,  0.0006540000000000,  0.0081715400000000 ]  - [  -0.0001588100000000, -0.0009752800000000,  0.0081604700000000 ]  - [  -0.0012424500000000, -0.0006540000000000,  0.0081715400000000 ]  - [   0.0004840000000000, -0.0014233600000000, -0.0057825100000000 ]  - [   0.0010173000000000, -0.0000770600000000, -0.0076433000000000 ]  - [   0.0004572100000000,  0.0000000000000000, -0.0073249100000000 ]  - [   0.0009486500000000,  0.0000000000000000, -0.0076856600000000 ]  - [   0.0004840000000000,  0.0014233600000000, -0.0057825100000000 ]  - [   0.0010173000000000,  0.0000770600000000, -0.0076433000000000 ]  - [   0.0032636200000000,  0.0000000000000000, -0.0294427800000000 ]  - [  -0.0007349800000000,  0.0000000000000000, -0.0081461400000000 ]  - [  -0.0011362100000000,  0.0017563700000000, -0.0083105600000000 ]  - [  -0.0006296200000000,  0.0001809000000000, -0.0080749100000000 ]  - [  -0.0011362100000000, -0.0017563700000000, -0.0083105600000000 ]  - [  -0.0006296200000000, -0.0001809000000000, -0.0080749100000000 ]  - [  -0.0001013100000000, -0.0011033700000000,  0.0078097600000000 ]  - [   0.0026808600000000, -0.0005804700000000,  0.0089895200000000 ]  - [   0.0005495400000000,  0.0000000000000000,  0.0077850000000000 ]  - [   0.0013106000000000,  0.0000000000000000,  0.0079559500000000 ]  - [  -0.0001013100000000,  0.0011033700000000,  0.0078097600000000 ]  - [   0.0026808600000000,  0.0005804700000000,  0.0089895200000000 ]  - [   0.0007998500000000,  0.0001348600000000,  0.0004051800000000 ]  - [  -0.0001361100000000,  0.0006021600000000,  0.0017462700000000 ]  - [   0.0007787300000000,  0.0000000000000000,  0.0002214800000000 ]  - [   0.0003936000000000,  0.0000000000000000,  0.0003446900000000 ]  - [   0.0007998500000000, -0.0001348600000000,  0.0004051800000000 ]  - [  -0.0001361100000000, -0.0006021600000000,  0.0017462700000000 ]  - [  -0.0005692400000000,  0.0000000000000000,  0.0017978400000000 ]  - [  -0.0009470000000000,  0.0000000000000000,  0.0008929500000000 ]  - [  -0.0005365200000000, -0.0000949200000000,  0.0012959400000000 ]  - [  -0.0007534000000000, -0.0000602000000000,  0.0007715400000000 ]  - [  -0.0005365200000000,  0.0000949200000000,  0.0012959400000000 ]  - [  -0.0007534000000000,  0.0000602000000000,  0.0007715400000000 ]  - [  -0.0016535800000000, -0.0040720500000000, -0.0082210600000000 ]  - [   0.0003850000000000,  0.0001309600000000, -0.0006191400000000 ]  - [   0.0000779500000000,  0.0000000000000000, -0.0007214000000000 ]  - [   0.0007023700000000,  0.0000000000000000, -0.0002038100000000 ]  - [  -0.0016535800000000,  0.0040720500000000, -0.0082210600000000 ]  - [   0.0003850000000000, -0.0001309600000000, -0.0006191400000000 ]  - [  -0.0022959600000000,  0.0000000000000000, -0.0075089000000000 ]  - [  -0.0004073100000000,  0.0000000000000000, -0.0007666900000000 ]  - [  -0.0015863300000000, -0.0007427800000000, -0.0009082600000000 ]  - [  -0.0004717800000000, -0.0002351400000000, -0.0005270300000000 ]  - [  -0.0015863300000000,  0.0007427800000000, -0.0009082600000000 ]  - [  -0.0004717800000000,  0.0002351400000000, -0.0005270300000000 ]  - [  -0.0002731500000000,  0.0000000000000000, -0.0049652600000000 ]  - [  -0.0032008100000000,  0.0000000000000000, -0.0017118400000000 ]  - [  -0.0013357700000000,  0.0007720800000000, -0.0015899900000000 ]  - [  -0.0024790800000000,  0.0007304800000000, -0.0015668000000000 ]  - [  -0.0013357700000000, -0.0007720800000000, -0.0015899900000000 ]  - [  -0.0024790800000000, -0.0007304800000000, -0.0015668000000000 ]  - [  -0.0009279500000000, -0.0059263700000000, -0.0050150800000000 ]  - [   0.0020905200000000, -0.0003712300000000,  0.0007953100000000 ]  - [   0.0017547200000000,  0.0000000000000000,  0.0002230200000000 ]  - [   0.0020315300000000,  0.0000000000000000,  0.0005704700000000 ]  - [  -0.0009279500000000,  0.0059263700000000, -0.0050150800000000 ]  - [   0.0020905200000000,  0.0003712300000000,  0.0007953100000000 ]  - [  -0.0060661800000000,  0.0000000000000000, -0.0144476600000000 ]  - [  -0.0013430000000000,  0.0000000000000000,  0.0006210000000000 ]  - [  -0.0020520900000000,  0.0030190400000000, -0.0015985900000000 ]  - [  -0.0015715300000000,  0.0004109800000000,  0.0010189100000000 ]  - [  -0.0020520900000000, -0.0030190400000000, -0.0015985900000000 ]  - [  -0.0015715300000000, -0.0004109800000000,  0.0010189100000000 ]  - [  -0.0004325000000000, -0.0006027900000000, -0.0014269000000000 ]  - [   0.0074971400000000, -0.0042805300000000, -0.0008521800000000 ]  - [   0.0015186100000000,  0.0000000000000000, -0.0002010500000000 ]  - [   0.0025298300000000,  0.0000000000000000,  0.0003227100000000 ]  - [  -0.0004325000000000,  0.0006027900000000, -0.0014269000000000 ]  - [   0.0074971400000000,  0.0042805300000000, -0.0008521800000000 ]  - [   0.0069508300000000,  0.0000000000000000,  0.0866015400000000 ]  - [   0.0035779800000000,  0.0000000000000000,  0.0061770100000000 ]  - [   0.0070874900000000,  0.0000530500000000,  0.0111721700000000 ]  - [   0.0034664200000000,  0.0000660100000000,  0.0060844300000000 ]  - [   0.0070874900000000, -0.0000530500000000,  0.0111721700000000 ]  - [   0.0034664200000000, -0.0000660100000000,  0.0060844300000000 ]  - [  -0.0001829100000000,  0.0048231300000000,  0.0006496400000000 ]  - [  -0.0066550900000000, -0.0012138500000000, -0.0028948000000000 ]  - [  -0.0027611700000000,  0.0000000000000000, -0.0040371900000000 ]  - [  -0.0039121200000000,  0.0000000000000000, -0.0047749400000000 ]  - [  -0.0001829100000000, -0.0048231300000000,  0.0006496400000000 ]  - [  -0.0066550900000000,  0.0012138500000000, -0.0028948000000000 ]  - [   0.0031707500000000,  0.0000000000000000, -0.0070588100000000 ]  - [   0.0044112400000000,  0.0000000000000000, -0.0070602900000000 ]  - [   0.0036063500000000,  0.0000854700000000, -0.0064301500000000 ]  - [   0.0041698900000000, -0.0002508500000000, -0.0064298300000000 ]  - [   0.0036063500000000, -0.0000854700000000, -0.0064301500000000 ]  - [   0.0041698900000000,  0.0002508500000000, -0.0064298300000000 ]  - [  -0.0038251100000000, -0.0002588800000000,  0.0029867800000000 ]  - [  -0.0036518500000000, -0.0000477600000000,  0.0046091900000000 ]  - [  -0.0033879000000000,  0.0000000000000000,  0.0042000600000000 ]  - [  -0.0035561700000000,  0.0000000000000000,  0.0047947400000000 ]  - [  -0.0038251100000000,  0.0002588800000000,  0.0029867800000000 ]  - [  -0.0036518500000000,  0.0000477600000000,  0.0046091900000000 ]