# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/af8dabbc-0ead-47f6-bdfb-dadfea5ff003/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 Sm2SCl4 / C2/c (15) / materials id 29880](https://mdr.nims.go.jp/datasets/c4e280b5-22cd-4f6b-8bfd-c14e6dcb658a)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.470484245000000,    -3.173693285000000,     0.001214820000000 ] # a  - [     7.470484245000000,     3.173693285000000,     0.001214820000000 ] # b  - [    -0.960198590000000,     0.000000000000000,     6.919457570000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.069299180000000,  0.930700820000000,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.930700820000000,  0.069299180000000,  0.250000000000000 ]    mass: 32.065000  - symbol: Cl # 3    coordinates: [  0.523415950000000,  0.302912290000000,  0.572566170000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.697087710000000,  0.476584050000000,  0.927433830000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.476584050000000,  0.697087710000000,  0.427433830000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.302912290000000,  0.523415950000000,  0.072566170000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.857812170000000,  0.699328410000000,  0.678917100000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.300671590000000,  0.142187830000000,  0.821082900000000 ]    mass: 35.453000  - symbol: Cl # 9    coordinates: [  0.142187830000000,  0.300671590000000,  0.321082900000000 ]    mass: 35.453000  - symbol: Cl # 10    coordinates: [  0.699328410000000,  0.857812170000000,  0.178917100000000 ]    mass: 35.453000  - symbol: Sm # 11    coordinates: [  0.101779240000000,  0.684625300000000,  0.421469790000000 ]    mass: 150.360000  - symbol: Sm # 12    coordinates: [  0.315374700000000,  0.898220760000000,  0.078530210000000 ]    mass: 150.360000  - symbol: Sm # 13    coordinates: [  0.898220760000000,  0.315374700000000,  0.578530210000000 ]    mass: 150.360000  - symbol: Sm # 14    coordinates: [  0.684625300000000,  0.101779240000000,  0.921469790000000 ]    mass: 150.360000  reciprocal_lattice: # without 2pi  - [     0.066928555220684,    -0.157545154840002,     0.009287534998735 ] # a*  - [     0.066928555220684,     0.157545154840002,     0.009287534998735 ] # b*  - [    -0.000023500728671,    -0.000000000000000,     0.144516737694725 ] # c*unit_cell:  lattice:  - [    14.940968489999999,     0.000000000000000,     0.002429640000000 ] # a  - [     0.000000000000000,     6.347386570000000,     0.000000000000000 ] # b  - [    -0.960198590000000,     0.000000000000000,     6.919457570000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.000000000000000,  0.930700820000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.000000000000000,  0.069299180000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.500000000000000,  0.430700820000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.500000000000000,  0.569299180000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 2  - symbol: Cl # 5    coordinates: [  0.413164120000000,  0.889748170000000,  0.572566170000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.086835880000000,  0.389748170000000,  0.927433830000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.086835880000000,  0.610251830000000,  0.427433830000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.413164120000000,  0.110251830000000,  0.072566170000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.278570290000000,  0.420758120000000,  0.678917100000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.221429710000000,  0.920758120000000,  0.821082900000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.221429710000000,  0.079241880000000,  0.321082900000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.278570290000000,  0.579241880000000,  0.178917100000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.913164120000000,  0.389748170000000,  0.572566170000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 14    coordinates: [  0.586835880000000,  0.889748170000000,  0.927433830000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 15    coordinates: [  0.586835880000000,  0.110251830000000,  0.427433830000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 16    coordinates: [  0.913164120000000,  0.610251830000000,  0.072566170000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 17    coordinates: [  0.778570290000000,  0.920758120000000,  0.678917100000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 18    coordinates: [  0.721429710000000,  0.420758120000000,  0.821082900000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 19    coordinates: [  0.721429710000000,  0.579241880000000,  0.321082900000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 20    coordinates: [  0.778570290000000,  0.079241880000000,  0.178917100000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Sm # 21    coordinates: [  0.393202270000000,  0.291423030000000,  0.421469790000000 ]    mass: 150.360000    reduced_to: 21  - symbol: Sm # 22    coordinates: [  0.106797730000000,  0.791423030000000,  0.078530210000000 ]    mass: 150.360000    reduced_to: 22  - symbol: Sm # 23    coordinates: [  0.106797730000000,  0.208576970000000,  0.578530210000000 ]    mass: 150.360000    reduced_to: 23  - symbol: Sm # 24    coordinates: [  0.393202270000000,  0.708576970000000,  0.921469790000000 ]    mass: 150.360000    reduced_to: 24  - symbol: Sm # 25    coordinates: [  0.893202270000000,  0.791423030000000,  0.421469790000000 ]    mass: 150.360000    reduced_to: 21  - symbol: Sm # 26    coordinates: [  0.606797730000000,  0.291423030000000,  0.078530210000000 ]    mass: 150.360000    reduced_to: 22  - symbol: Sm # 27    coordinates: [  0.606797730000000,  0.708576970000000,  0.578530210000000 ]    mass: 150.360000    reduced_to: 23  - symbol: Sm # 28    coordinates: [  0.893202270000000,  0.208576970000000,  0.921469790000000 ]    mass: 150.360000    reduced_to: 24supercell:  lattice:  - [    14.940968489999999,     0.000000000000000,     0.002429640000000 ] # a  - [     0.000000000000000,    12.694773140000001,     0.000000000000000 ] # b  - [    -1.920397180000000,     0.000000000000000,    13.838915139999999 ] # c  points:  - symbol: S  # 1    coordinates: [  0.000000000000000,  0.465350410000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.000000000000000,  0.965350410000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.000000000000000,  0.465350410000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.000000000000000,  0.965350410000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.000000000000000,  0.034649590000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.000000000000000,  0.534649590000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 7    coordinates: [  0.000000000000000,  0.034649590000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 8    coordinates: [  0.000000000000000,  0.534649590000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 9    coordinates: [  0.500000000000000,  0.215350410000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.500000000000000,  0.715350410000000,  0.375000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 11    coordinates: [  0.500000000000000,  0.215350410000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 12    coordinates: [  0.500000000000000,  0.715350410000000,  0.875000000000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 13    coordinates: [  0.500000000000000,  0.284649590000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 14    coordinates: [  0.500000000000000,  0.784649590000000,  0.125000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 15    coordinates: [  0.500000000000000,  0.284649590000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 16    coordinates: [  0.500000000000000,  0.784649590000000,  0.625000000000000 ]    mass: 32.065000    reduced_to: 5  - symbol: Cl # 17    coordinates: [  0.413164120000000,  0.444874085000000,  0.286283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.413164120000000,  0.944874085000000,  0.286283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 19    coordinates: [  0.413164120000000,  0.444874085000000,  0.786283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 20    coordinates: [  0.413164120000000,  0.944874085000000,  0.786283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 21    coordinates: [  0.086835880000000,  0.194874085000000,  0.463716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.086835880000000,  0.694874085000000,  0.463716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 23    coordinates: [  0.086835880000000,  0.194874085000000,  0.963716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 24    coordinates: [  0.086835880000000,  0.694874085000000,  0.963716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 25    coordinates: [  0.086835880000000,  0.305125915000000,  0.213716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.086835880000000,  0.805125915000000,  0.213716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 27    coordinates: [  0.086835880000000,  0.305125915000000,  0.713716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 28    coordinates: [  0.086835880000000,  0.805125915000000,  0.713716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 29    coordinates: [  0.413164120000000,  0.055125915000000,  0.036283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 30    coordinates: [  0.413164120000000,  0.555125915000000,  0.036283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 31    coordinates: [  0.413164120000000,  0.055125915000000,  0.536283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 32    coordinates: [  0.413164120000000,  0.555125915000000,  0.536283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 33    coordinates: [  0.278570290000000,  0.210379060000000,  0.339458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 34    coordinates: [  0.278570290000000,  0.710379060000000,  0.339458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 35    coordinates: [  0.278570290000000,  0.210379060000000,  0.839458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 36    coordinates: [  0.278570290000000,  0.710379060000000,  0.839458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 37    coordinates: [  0.221429710000000,  0.460379060000000,  0.410541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 38    coordinates: [  0.221429710000000,  0.960379060000000,  0.410541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 39    coordinates: [  0.221429710000000,  0.460379060000000,  0.910541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 40    coordinates: [  0.221429710000000,  0.960379060000000,  0.910541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 41    coordinates: [  0.221429710000000,  0.039620940000000,  0.160541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 42    coordinates: [  0.221429710000000,  0.539620940000000,  0.160541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 43    coordinates: [  0.221429710000000,  0.039620940000000,  0.660541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 44    coordinates: [  0.221429710000000,  0.539620940000000,  0.660541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 45    coordinates: [  0.278570290000000,  0.289620940000000,  0.089458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 46    coordinates: [  0.278570290000000,  0.789620940000000,  0.089458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 47    coordinates: [  0.278570290000000,  0.289620940000000,  0.589458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 48    coordinates: [  0.278570290000000,  0.789620940000000,  0.589458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 49    coordinates: [  0.913164120000000,  0.194874085000000,  0.286283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 50    coordinates: [  0.913164120000000,  0.694874085000000,  0.286283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 51    coordinates: [  0.913164120000000,  0.194874085000000,  0.786283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 52    coordinates: [  0.913164120000000,  0.694874085000000,  0.786283085000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 53    coordinates: [  0.586835880000000,  0.444874085000000,  0.463716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 54    coordinates: [  0.586835880000000,  0.944874085000000,  0.463716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 55    coordinates: [  0.586835880000000,  0.444874085000000,  0.963716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 56    coordinates: [  0.586835880000000,  0.944874085000000,  0.963716915000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 57    coordinates: [  0.586835880000000,  0.055125915000000,  0.213716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 58    coordinates: [  0.586835880000000,  0.555125915000000,  0.213716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 59    coordinates: [  0.586835880000000,  0.055125915000000,  0.713716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 60    coordinates: [  0.586835880000000,  0.555125915000000,  0.713716915000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 61    coordinates: [  0.913164120000000,  0.305125915000000,  0.036283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 62    coordinates: [  0.913164120000000,  0.805125915000000,  0.036283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 63    coordinates: [  0.913164120000000,  0.305125915000000,  0.536283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 64    coordinates: [  0.913164120000000,  0.805125915000000,  0.536283085000000 ]    mass: 35.453000    reduced_to: 29  - symbol: Cl # 65    coordinates: [  0.778570290000000,  0.460379060000000,  0.339458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 66    coordinates: [  0.778570290000000,  0.960379060000000,  0.339458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 67    coordinates: [  0.778570290000000,  0.460379060000000,  0.839458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 68    coordinates: [  0.778570290000000,  0.960379060000000,  0.839458550000000 ]    mass: 35.453000    reduced_to: 33  - symbol: Cl # 69    coordinates: [  0.721429710000000,  0.210379060000000,  0.410541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 70    coordinates: [  0.721429710000000,  0.710379060000000,  0.410541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 71    coordinates: [  0.721429710000000,  0.210379060000000,  0.910541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 72    coordinates: [  0.721429710000000,  0.710379060000000,  0.910541450000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 73    coordinates: [  0.721429710000000,  0.289620940000000,  0.160541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 74    coordinates: [  0.721429710000000,  0.789620940000000,  0.160541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 75    coordinates: [  0.721429710000000,  0.289620940000000,  0.660541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 76    coordinates: [  0.721429710000000,  0.789620940000000,  0.660541450000000 ]    mass: 35.453000    reduced_to: 41  - symbol: Cl # 77    coordinates: [  0.778570290000000,  0.039620940000000,  0.089458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 78    coordinates: [  0.778570290000000,  0.539620940000000,  0.089458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 79    coordinates: [  0.778570290000000,  0.039620940000000,  0.589458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Cl # 80    coordinates: [  0.778570290000000,  0.539620940000000,  0.589458550000000 ]    mass: 35.453000    reduced_to: 45  - symbol: Sm # 81    coordinates: [  0.393202270000000,  0.145711515000000,  0.210734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 82    coordinates: [  0.393202270000000,  0.645711515000000,  0.210734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 83    coordinates: [  0.393202270000000,  0.145711515000000,  0.710734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 84    coordinates: [  0.393202270000000,  0.645711515000000,  0.710734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 85    coordinates: [  0.106797730000000,  0.395711515000000,  0.039265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 86    coordinates: [  0.106797730000000,  0.895711515000000,  0.039265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 87    coordinates: [  0.106797730000000,  0.395711515000000,  0.539265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 88    coordinates: [  0.106797730000000,  0.895711515000000,  0.539265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 89    coordinates: [  0.106797730000000,  0.104288485000000,  0.289265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 90    coordinates: [  0.106797730000000,  0.604288485000000,  0.289265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 91    coordinates: [  0.106797730000000,  0.104288485000000,  0.789265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 92    coordinates: [  0.106797730000000,  0.604288485000000,  0.789265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 93    coordinates: [  0.393202270000000,  0.354288485000000,  0.460734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 94    coordinates: [  0.393202270000000,  0.854288485000000,  0.460734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 95    coordinates: [  0.393202270000000,  0.354288485000000,  0.960734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 96    coordinates: [  0.393202270000000,  0.854288485000000,  0.960734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 97    coordinates: [  0.893202270000000,  0.395711515000000,  0.210734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 98    coordinates: [  0.893202270000000,  0.895711515000000,  0.210734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 99    coordinates: [  0.893202270000000,  0.395711515000000,  0.710734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 100    coordinates: [  0.893202270000000,  0.895711515000000,  0.710734895000000 ]    mass: 150.360000    reduced_to: 81  - symbol: Sm # 101    coordinates: [  0.606797730000000,  0.145711515000000,  0.039265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 102    coordinates: [  0.606797730000000,  0.645711515000000,  0.039265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 103    coordinates: [  0.606797730000000,  0.145711515000000,  0.539265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 104    coordinates: [  0.606797730000000,  0.645711515000000,  0.539265105000000 ]    mass: 150.360000    reduced_to: 85  - symbol: Sm # 105    coordinates: [  0.606797730000000,  0.354288485000000,  0.289265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 106    coordinates: [  0.606797730000000,  0.854288485000000,  0.289265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 107    coordinates: [  0.606797730000000,  0.354288485000000,  0.789265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 108    coordinates: [  0.606797730000000,  0.854288485000000,  0.789265105000000 ]    mass: 150.360000    reduced_to: 89  - symbol: Sm # 109    coordinates: [  0.893202270000000,  0.104288485000000,  0.460734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 110    coordinates: [  0.893202270000000,  0.604288485000000,  0.460734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 111    coordinates: [  0.893202270000000,  0.104288485000000,  0.960734895000000 ]    mass: 150.360000    reduced_to: 93  - symbol: Sm # 112    coordinates: [  0.893202270000000,  0.604288485000000,  0.960734895000000 ]    mass: 150.360000    reduced_to: 93born_effective_charge:- # 1 (S)  - [ -1.902558740000000, -0.000000000000000, -0.197471530000000 ]  - [  0.000000000000000, -1.837155410000000,  0.000000000000000 ]  - [ -0.275365300000000, -0.000000000000000, -2.959647080000000 ]- # 2 (S)  - [ -1.902558740000000, -0.000000000000000, -0.197471530000000 ]  - [  0.000000000000000, -1.837155410000000,  0.000000000000000 ]  - [ -0.275365300000000, -0.000000000000000, -2.959647080000000 ]- # 3 (Cl)  - [ -0.958994440000000,  0.160551700000000,  0.180118210000000 ]  - [  0.096032230000000, -1.849079770000000,  0.674882920000000 ]  - [  0.270650680000000,  0.750839120000000, -1.516270820000000 ]- # 4 (Cl)  - [ -0.958994440000000, -0.160551700000000,  0.180118210000000 ]  - [ -0.096032230000000, -1.849079770000000, -0.674882920000000 ]  - [  0.270650680000000, -0.750839120000000, -1.516270820000000 ]- # 5 (Cl)  - [ -0.958994440000000,  0.160551700000000,  0.180118210000000 ]  - [  0.096032230000000, -1.849079770000000,  0.674882920000000 ]  - [  0.270650680000000,  0.750839120000000, -1.516270820000000 ]- # 6 (Cl)  - [ -0.958994440000000, -0.160551700000000,  0.180118210000000 ]  - [ -0.096032230000000, -1.849079770000000, -0.674882920000000 ]  - [  0.270650680000000, -0.750839120000000, -1.516270820000000 ]- # 7 (Cl)  - [ -1.935151860000000, -0.472452920000000, -0.032503550000000 ]  - [ -0.468010950000000, -1.096519210000000, -0.544953790000000 ]  - [ -0.085047390000000, -0.580179280000000, -1.217088540000000 ]- # 8 (Cl)  - [ -1.935151860000000,  0.472452920000000, -0.032503550000000 ]  - [  0.468010950000000, -1.096519210000000,  0.544953790000000 ]  - [ -0.085047390000000,  0.580179280000000, -1.217088540000000 ]- # 9 (Cl)  - [ -1.935151860000000, -0.472452920000000, -0.032503550000000 ]  - [ -0.468010950000000, -1.096519210000000, -0.544953790000000 ]  - [ -0.085047390000000, -0.580179280000000, -1.217088540000000 ]- # 10 (Cl)  - [ -1.935151860000000,  0.472452920000000, -0.032503550000000 ]  - [  0.468010950000000, -1.096519210000000,  0.544953790000000 ]  - [ -0.085047390000000,  0.580179280000000, -1.217088540000000 ]- # 11 (Sm)  - [  3.845425680000000,  0.251447430000000, -0.048878890000000 ]  - [  0.191499030000000,  3.864176680000000,  0.190662660000000 ]  - [ -0.047920640000000, -0.152266400000000,  4.213182900000000 ]- # 12 (Sm)  - [  3.845425680000000, -0.251447430000000, -0.048878890000000 ]  - [ -0.191499030000000,  3.864176680000000, -0.190662660000000 ]  - [ -0.047920640000000,  0.152266400000000,  4.213182900000000 ]- # 13 (Sm)  - [  3.845425680000000,  0.251447430000000, -0.048878890000000 ]  - [  0.191499030000000,  3.864176680000000,  0.190662660000000 ]  - [ -0.047920640000000, -0.152266400000000,  4.213182900000000 ]- # 14 (Sm)  - [  3.845425680000000, -0.251447430000000, -0.048878890000000 ]  - [ -0.191499030000000,  3.864176680000000, -0.190662660000000 ]  - [ -0.047920640000000,  0.152266400000000,  4.213182900000000 ]dielectric_constant:  - [  4.729245640000000,  0.000000000000000, -0.014299570000000 ]  - [  0.000000000000000,  4.627740260000000,  0.000000000000000 ]  - [ -0.014296640000000,  0.000000000000000,  4.967260060000000 ]displacements:- atom:    1  displacement:    [   0.0099999998677802,  0.0000000000000000,  0.0000016261596225 ]  forces:  - [  -0.0807521900000000, -0.0141692500000000, -0.0107477000000000 ]  - [  -0.0008652300000000, -0.0138078300000000, -0.0002020400000000 ]  - [  -0.0006514700000000, -0.0138076500000000, -0.0002582000000000 ]  - [  -0.0003616600000000, -0.0138098000000000, -0.0001568700000000 ]  - [  -0.0007059700000000,  0.0140578900000000, -0.0002405800000000 ]  - [  -0.0026487400000000,  0.0127256900000000, -0.0013778700000000 ]  - [  -0.0007047200000000,  0.0135661800000000, -0.0002404700000000 ]  - [  -0.0026415400000000,  0.0148833300000000, -0.0014024800000000 ]  - [   0.0008019200000000, -0.0138121500000000, -0.0004579500000000 ]  - [   0.0008017100000000, -0.0138096800000000,  0.0001586000000000 ]  - [   0.0002414300000000, -0.0138100700000000,  0.0002877400000000 ]  - [   0.0002414500000000, -0.0138100600000000,  0.0002358700000000 ]  - [   0.0005989300000000,  0.0139453500000000,  0.0004399300000000 ]  - [   0.0003869000000000,  0.0138119100000000,  0.0000840900000000 ]  - [   0.0005994400000000,  0.0136734400000000,  0.0004439200000000 ]  - [   0.0003864900000000,  0.0138089700000000,  0.0000848300000000 ]  - [   0.0002754200000000,  0.0013366100000000, -0.0011439900000000 ]  - [  -0.0002626400000000,  0.0014396800000000, -0.0009203600000000 ]  - [  -0.0003160900000000,  0.0013155900000000, -0.0007224600000000 ]  - [  -0.0003707300000000,  0.0013019000000000, -0.0007906500000000 ]  - [   0.0001666700000000, -0.0004082700000000,  0.0004837400000000 ]  - [  -0.0004985800000000,  0.0060906200000000,  0.0034121100000000 ]  - [   0.0002073600000000,  0.0013101900000000,  0.0008788700000000 ]  - [   0.0003490600000000,  0.0012941000000000,  0.0007668200000000 ]  - [   0.0011220300000000, -0.0038892500000000, -0.0018728700000000 ]  - [  -0.0007414200000000,  0.0016671100000000, -0.0005881000000000 ]  - [  -0.0008788700000000, -0.0027242500000000,  0.0029081800000000 ]  - [   0.0002036500000000, -0.0013431200000000,  0.0008754700000000 ]  - [  -0.0003282200000000, -0.0013477700000000, -0.0008550600000000 ]  - [  -0.0001777800000000, -0.0013837700000000, -0.0008893700000000 ]  - [  -0.0002979500000000, -0.0013854800000000, -0.0008754500000000 ]  - [   0.0001974000000000, -0.0009570400000000, -0.0004720900000000 ]  - [  -0.0019083600000000, -0.0019195300000000, -0.0006978900000000 ]  - [  -0.0005389300000000, -0.0008251700000000,  0.0000374100000000 ]  - [  -0.0020132800000000, -0.0015956400000000, -0.0002503000000000 ]  - [  -0.0020592200000000, -0.0014922400000000, -0.0002299600000000 ]  - [   0.0155920000000000, -0.0036580300000000,  0.0031863900000000 ]  - [   0.0020488700000000, -0.0015801100000000,  0.0004131900000000 ]  - [   0.0020738600000000, -0.0016015700000000,  0.0003519800000000 ]  - [   0.0021260500000000, -0.0015904600000000,  0.0003427500000000 ]  - [   0.0021410900000000,  0.0015985900000000,  0.0002790900000000 ]  - [   0.0029965700000000,  0.0008726100000000, -0.0008567700000000 ]  - [   0.0020370300000000,  0.0015627100000000,  0.0004836200000000 ]  - [   0.0023410500000000,  0.0024106200000000,  0.0012177500000000 ]  - [  -0.0018482100000000,  0.0014912800000000, -0.0004208600000000 ]  - [  -0.0019244400000000,  0.0016926300000000, -0.0005204700000000 ]  - [  -0.0009864100000000,  0.0008751600000000, -0.0000277200000000 ]  - [  -0.0019729300000000,  0.0016546700000000, -0.0003077200000000 ]  - [  -0.0007145100000000,  0.0032163400000000, -0.0012206800000000 ]  - [  -0.0013761600000000, -0.0032809000000000,  0.0017055800000000 ]  - [  -0.0006763500000000,  0.0014885700000000, -0.0008266700000000 ]  - [  -0.0005341600000000,  0.0015005300000000, -0.0009370700000000 ]  - [   0.0011585600000000,  0.0014623800000000,  0.0005618100000000 ]  - [   0.0006213200000000,  0.0013584900000000,  0.0007840000000000 ]  - [   0.0005681300000000,  0.0014826700000000,  0.0009818300000000 ]  - [   0.0005132100000000,  0.0014965100000000,  0.0009138300000000 ]  - [   0.0005865000000000, -0.0014128000000000,  0.0008284700000000 ]  - [   0.0010797500000000, -0.0018380200000000,  0.0012293600000000 ]  - [   0.0005556700000000, -0.0014507600000000,  0.0008496100000000 ]  - [   0.0007062600000000, -0.0014148100000000,  0.0008158200000000 ]  - [  -0.0017576700000000, -0.0000785400000000,  0.0011961700000000 ]  - [  -0.0006807300000000, -0.0014569100000000, -0.0008301000000000 ]  - [   0.0002379100000000,  0.0010723300000000, -0.0035634800000000 ]  - [  -0.0016165900000000, -0.0044372100000000, -0.0022801300000000 ]  - [   0.0111514100000000,  0.0004275800000000,  0.0023999800000000 ]  - [  -0.0021253800000000, -0.0016240100000000, -0.0003153200000000 ]  - [  -0.0020999100000000, -0.0016033000000000, -0.0003766800000000 ]  - [  -0.0020494100000000, -0.0016146800000000, -0.0003857400000000 ]  - [   0.0022700300000000, -0.0012867900000000,  0.0000318500000000 ]  - [   0.0036402800000000, -0.0023848100000000,  0.0007695600000000 ]  - [   0.0021621400000000, -0.0016095900000000,  0.0004786500000000 ]  - [   0.0021171200000000, -0.0017140600000000,  0.0004994400000000 ]  - [   0.0032000600000000,  0.0023389400000000,  0.0007035300000000 ]  - [   0.0022032400000000,  0.0015504000000000,  0.0004213900000000 ]  - [   0.0023287400000000,  0.0017145500000000,  0.0003081100000000 ]  - [   0.0022506300000000,  0.0015128700000000,  0.0002090000000000 ]  - [  -0.0021382200000000,  0.0016428700000000, -0.0002450500000000 ]  - [  -0.0018293900000000,  0.0007893200000000,  0.0004925700000000 ]  - [  -0.0020333200000000,  0.0016077200000000, -0.0004504100000000 ]  - [  -0.0011764100000000,  0.0023303600000000, -0.0015849600000000 ]  - [   0.0001940700000000,  0.0044306200000000,  0.0039629300000000 ]  - [  -0.0007676000000000,  0.0041532500000000,  0.0041258000000000 ]  - [   0.0003491000000000,  0.0048489800000000,  0.0031707700000000 ]  - [   0.0002209700000000,  0.0040837500000000,  0.0031328900000000 ]  - [  -0.0000101500000000,  0.0046156400000000, -0.0025823600000000 ]  - [  -0.0007969200000000,  0.0040552000000000, -0.0027333700000000 ]  - [   0.0111015700000000,  0.0006043900000000,  0.0060997400000000 ]  - [   0.0003268500000000,  0.0036638600000000, -0.0043596600000000 ]  - [  -0.0000211400000000, -0.0037681900000000, -0.0033197500000000 ]  - [   0.0174593200000000,  0.0070915500000000, -0.0101129300000000 ]  - [  -0.0005447600000000, -0.0036789800000000, -0.0039351500000000 ]  - [  -0.0000720400000000, -0.0045064100000000, -0.0038341900000000 ]  - [  -0.0022294700000000, -0.0028031800000000,  0.0033826200000000 ]  - [   0.0000755900000000, -0.0048259500000000,  0.0033927000000000 ]  - [   0.0003997900000000, -0.0043208500000000,  0.0034583400000000 ]  - [   0.0005234000000000, -0.0044705000000000,  0.0036453200000000 ]  - [   0.0127989400000000,  0.0081361000000000,  0.0132179800000000 ]  - [   0.0021053900000000,  0.0051794600000000,  0.0030552000000000 ]  - [   0.0017567300000000,  0.0042263900000000,  0.0048372000000000 ]  - [   0.0009777600000000,  0.0047883600000000,  0.0046746400000000 ]  - [  -0.0014266800000000,  0.0039952400000000, -0.0042454200000000 ]  - [  -0.0015563100000000,  0.0047609600000000, -0.0042803200000000 ]  - [  -0.0015816200000000,  0.0044147300000000, -0.0034538900000000 ]  - [  -0.0025421100000000,  0.0046892600000000, -0.0032902000000000 ]  - [  -0.0040013800000000, -0.0060304900000000, -0.0040285300000000 ]  - [  -0.0016990300000000, -0.0040195400000000, -0.0040224000000000 ]  - [  -0.0013758500000000, -0.0045244800000000, -0.0039577700000000 ]  - [  -0.0012504300000000, -0.0043741900000000, -0.0037708100000000 ]  - [   0.0017472000000000, -0.0050898900000000,  0.0041001200000000 ]  - [   0.0188886300000000, -0.0154600500000000, -0.0023963100000000 ]  - [   0.0012291100000000, -0.0051658100000000,  0.0034797200000000 ]  - [   0.0016974900000000, -0.0043331000000000,  0.0035767000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0790345700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0124181600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0140934100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0135317800000000,  0.0000000000000000 ]  - [   0.0002471200000000,  0.0147133400000000, -0.0000269600000000 ]  - [  -0.0010788600000000,  0.0120825400000000, -0.0018386000000000 ]  - [  -0.0002471200000000,  0.0147133400000000,  0.0000269600000000 ]  - [   0.0010788600000000,  0.0120825400000000,  0.0018386000000000 ]  - [   0.0000000000000000, -0.0137476200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0137489900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0138245400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0138245100000000,  0.0000000000000000 ]  - [   0.0001366900000000,  0.0138461000000000,  0.0000523900000000 ]  - [   0.0000014600000000,  0.0137838000000000, -0.0001839200000000 ]  - [  -0.0001366900000000,  0.0138461000000000, -0.0000523900000000 ]  - [  -0.0000014600000000,  0.0137838000000000,  0.0001839200000000 ]  - [  -0.0004121700000000,  0.0011707900000000, -0.0006887800000000 ]  - [  -0.0004361600000000,  0.0016304500000000, -0.0009663500000000 ]  - [  -0.0004737000000000,  0.0012986000000000, -0.0008258400000000 ]  - [  -0.0004443700000000,  0.0015264200000000, -0.0008945300000000 ]  - [  -0.0000732700000000,  0.0043233500000000,  0.0006884300000000 ]  - [   0.0028616800000000,  0.0102900300000000,  0.0051973200000000 ]  - [   0.0003211700000000,  0.0015605000000000,  0.0010035300000000 ]  - [   0.0004045400000000,  0.0013150100000000,  0.0007945700000000 ]  - [  -0.0021042800000000,  0.0011376200000000,  0.0044646700000000 ]  - [   0.0001579600000000,  0.0003725400000000, -0.0000752100000000 ]  - [   0.0009945000000000, -0.0007084400000000, -0.0002626500000000 ]  - [   0.0004272200000000, -0.0014031100000000,  0.0011586900000000 ]  - [  -0.0004341900000000, -0.0012899900000000, -0.0008077500000000 ]  - [  -0.0003291300000000, -0.0015453200000000, -0.0010131900000000 ]  - [  -0.0004572600000000, -0.0011462200000000, -0.0007389200000000 ]  - [  -0.0006304700000000, -0.0016574700000000, -0.0009562100000000 ]  - [  -0.0023287800000000, -0.0015557900000000, -0.0002940400000000 ]  - [  -0.0006619800000000, -0.0008578700000000,  0.0001812700000000 ]  - [  -0.0021456600000000, -0.0015632800000000, -0.0003940700000000 ]  - [  -0.0021039800000000, -0.0017019800000000, -0.0004415600000000 ]  - [   0.0006852500000000, -0.0036732500000000,  0.0010099800000000 ]  - [   0.0019760500000000, -0.0011364400000000,  0.0001439900000000 ]  - [   0.0020447200000000, -0.0016928400000000,  0.0003310900000000 ]  - [   0.0020968800000000, -0.0014830700000000,  0.0002574500000000 ]  - [   0.0020394400000000,  0.0018636500000000,  0.0005544100000000 ]  - [   0.0030432300000000,  0.0002980100000000, -0.0008871900000000 ]  - [   0.0022216100000000,  0.0019038800000000,  0.0005243600000000 ]  - [   0.0015766100000000,  0.0004924900000000, -0.0002621200000000 ]  - [  -0.0021624100000000,  0.0014872400000000, -0.0003019300000000 ]  - [  -0.0020052100000000,  0.0017265100000000, -0.0005411200000000 ]  - [  -0.0030748600000000,  0.0020551900000000, -0.0004364600000000 ]  - [  -0.0017382000000000,  0.0015333800000000, -0.0001021600000000 ]  - [   0.0000732700000000,  0.0043233500000000, -0.0006884300000000 ]  - [  -0.0028616800000000,  0.0102900300000000, -0.0051973200000000 ]  - [  -0.0003211700000000,  0.0015605000000000, -0.0010035300000000 ]  - [  -0.0004045400000000,  0.0013150100000000, -0.0007945700000000 ]  - [   0.0004121700000000,  0.0011707900000000,  0.0006887800000000 ]  - [   0.0004361600000000,  0.0016304500000000,  0.0009663500000000 ]  - [   0.0004737000000000,  0.0012986000000000,  0.0008258400000000 ]  - [   0.0004443700000000,  0.0015264200000000,  0.0008945300000000 ]  - [   0.0004572600000000, -0.0011462200000000,  0.0007389200000000 ]  - [   0.0006304700000000, -0.0016574700000000,  0.0009562100000000 ]  - [   0.0004341900000000, -0.0012899900000000,  0.0008077500000000 ]  - [   0.0003291300000000, -0.0015453200000000,  0.0010131900000000 ]  - [  -0.0009945000000000, -0.0007084400000000,  0.0002626500000000 ]  - [  -0.0004272200000000, -0.0014031100000000, -0.0011586900000000 ]  - [   0.0021042800000000,  0.0011376200000000, -0.0044646700000000 ]  - [  -0.0001579600000000,  0.0003725400000000,  0.0000752100000000 ]  - [  -0.0006852500000000, -0.0036732500000000, -0.0010099800000000 ]  - [  -0.0019760500000000, -0.0011364400000000, -0.0001439900000000 ]  - [  -0.0020447200000000, -0.0016928400000000, -0.0003310900000000 ]  - [  -0.0020968800000000, -0.0014830700000000, -0.0002574500000000 ]  - [   0.0023287800000000, -0.0015557900000000,  0.0002940400000000 ]  - [   0.0006619800000000, -0.0008578700000000, -0.0001812700000000 ]  - [   0.0021456600000000, -0.0015632800000000,  0.0003940700000000 ]  - [   0.0021039800000000, -0.0017019800000000,  0.0004415600000000 ]  - [   0.0030748600000000,  0.0020551900000000,  0.0004364600000000 ]  - [   0.0017382000000000,  0.0015333800000000,  0.0001021600000000 ]  - [   0.0021624100000000,  0.0014872400000000,  0.0003019300000000 ]  - [   0.0020052100000000,  0.0017265100000000,  0.0005411200000000 ]  - [  -0.0022216100000000,  0.0019038800000000, -0.0005243600000000 ]  - [  -0.0015766100000000,  0.0004924900000000,  0.0002621200000000 ]  - [  -0.0020394400000000,  0.0018636500000000, -0.0005544100000000 ]  - [  -0.0030432300000000,  0.0002980100000000,  0.0008871900000000 ]  - [   0.0010338100000000,  0.0041115200000000,  0.0036102500000000 ]  - [   0.0000489600000000,  0.0046442900000000,  0.0040887400000000 ]  - [   0.0010733000000000,  0.0039811700000000,  0.0039059300000000 ]  - [   0.0011300600000000,  0.0048941300000000,  0.0035975900000000 ]  - [  -0.0004112200000000,  0.0059113100000000, -0.0045323500000000 ]  - [  -0.0010328300000000,  0.0037581200000000, -0.0029051500000000 ]  - [  -0.0044552500000000,  0.0096169900000000, -0.0085253500000000 ]  - [  -0.0008423200000000,  0.0015665700000000, -0.0047127300000000 ]  - [  -0.0002065700000000, -0.0070215500000000, -0.0043998500000000 ]  - [   0.0118539600000000,  0.0142186200000000, -0.0121927800000000 ]  - [  -0.0008343600000000, -0.0052441900000000, -0.0035976900000000 ]  - [  -0.0012450600000000, -0.0041162000000000, -0.0037975400000000 ]  - [   0.0014918000000000, -0.0043035600000000,  0.0034757800000000 ]  - [   0.0005572300000000, -0.0051180100000000,  0.0033456900000000 ]  - [   0.0008911500000000, -0.0042005000000000,  0.0037306600000000 ]  - [   0.0008301100000000, -0.0045833100000000,  0.0038921300000000 ]  - [   0.0044552500000000,  0.0096169900000000,  0.0085253500000000 ]  - [   0.0008423200000000,  0.0015665700000000,  0.0047127300000000 ]  - [   0.0004112200000000,  0.0059113100000000,  0.0045323500000000 ]  - [   0.0010328300000000,  0.0037581200000000,  0.0029051500000000 ]  - [  -0.0010733000000000,  0.0039811700000000, -0.0039059300000000 ]  - [  -0.0011300600000000,  0.0048941300000000, -0.0035975900000000 ]  - [  -0.0010338100000000,  0.0041115200000000, -0.0036102500000000 ]  - [  -0.0000489600000000,  0.0046442900000000, -0.0040887400000000 ]  - [  -0.0014918000000000, -0.0043035600000000, -0.0034757800000000 ]  - [  -0.0005572300000000, -0.0051180100000000, -0.0033456900000000 ]  - [  -0.0008911500000000, -0.0042005000000000, -0.0037306600000000 ]  - [  -0.0008301100000000, -0.0045833100000000, -0.0038921300000000 ]  - [   0.0002065700000000, -0.0070215500000000,  0.0043998500000000 ]  - [  -0.0118539600000000,  0.0142186200000000,  0.0121927800000000 ]  - [   0.0008343600000000, -0.0052441900000000,  0.0035976900000000 ]  - [   0.0012450600000000, -0.0041162000000000,  0.0037975400000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0505404700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0152035400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0135290600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0140886700000000,  0.0000000000000000 ]  - [  -0.0002447500000000,  0.0129073400000000,  0.0000247300000000 ]  - [   0.0010781100000000,  0.0155300000000000,  0.0018477500000000 ]  - [   0.0002447500000000,  0.0129073400000000, -0.0000247300000000 ]  - [  -0.0010781100000000,  0.0155300000000000, -0.0018477500000000 ]  - [   0.0000000000000000, -0.0138706000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0138720300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0137960700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0137960200000000,  0.0000000000000000 ]  - [  -0.0001352100000000,  0.0137749300000000, -0.0000508100000000 ]  - [  -0.0000015400000000,  0.0138363400000000,  0.0001835900000000 ]  - [   0.0001352100000000,  0.0137749300000000,  0.0000508100000000 ]  - [   0.0000015400000000,  0.0138363400000000, -0.0001835900000000 ]  - [  -0.0004727300000000,  0.0016265600000000, -0.0010141100000000 ]  - [  -0.0004476400000000,  0.0011685800000000, -0.0007384600000000 ]  - [  -0.0004103900000000,  0.0014994800000000, -0.0008786700000000 ]  - [  -0.0004394400000000,  0.0012722300000000, -0.0008100600000000 ]  - [   0.0009706300000000, -0.0015653100000000,  0.0010330200000000 ]  - [  -0.0019283100000000, -0.0073682900000000, -0.0034276400000000 ]  - [   0.0005624400000000,  0.0012386800000000,  0.0007005700000000 ]  - [   0.0004789600000000,  0.0014812500000000,  0.0009100500000000 ]  - [   0.0030151200000000, -0.0039581200000000, -0.0027976500000000 ]  - [   0.0007290300000000, -0.0031783000000000,  0.0017834400000000 ]  - [  -0.0001053400000000, -0.0020843700000000,  0.0019596600000000 ]  - [   0.0004562500000000, -0.0013973800000000,  0.0005468200000000 ]  - [  -0.0004496400000000, -0.0015081000000000, -0.0008965700000000 ]  - [  -0.0005542300000000, -0.0012535600000000, -0.0006915700000000 ]  - [  -0.0004265800000000, -0.0016512900000000, -0.0009653100000000 ]  - [  -0.0002545500000000, -0.0011432000000000, -0.0007499800000000 ]  - [  -0.0018456000000000, -0.0016480800000000, -0.0004342000000000 ]  - [  -0.0035111800000000, -0.0023431500000000, -0.0009063600000000 ]  - [  -0.0020292000000000, -0.0016421700000000, -0.0003350900000000 ]  - [  -0.0020710900000000, -0.0015038100000000, -0.0002875100000000 ]  - [   0.0034488500000000,  0.0004826000000000, -0.0002868100000000 ]  - [   0.0022000300000000, -0.0020690000000000,  0.0005843200000000 ]  - [   0.0021301000000000, -0.0015125800000000,  0.0003972700000000 ]  - [   0.0020781200000000, -0.0017223000000000,  0.0004714400000000 ]  - [   0.0021364400000000,  0.0013419100000000,  0.0001744800000000 ]  - [   0.0011372100000000,  0.0028960700000000,  0.0016084000000000 ]  - [   0.0019543400000000,  0.0013025700000000,  0.0002062000000000 ]  - [   0.0026001800000000,  0.0027155000000000,  0.0009918000000000 ]  - [  -0.0020120300000000,  0.0017176200000000, -0.0004272600000000 ]  - [  -0.0021694400000000,  0.0014789900000000, -0.0001881900000000 ]  - [  -0.0011049400000000,  0.0011531700000000, -0.0002926800000000 ]  - [  -0.0024353300000000,  0.0016710700000000, -0.0006258800000000 ]  - [  -0.0009706300000000, -0.0015653100000000, -0.0010330200000000 ]  - [   0.0019283100000000, -0.0073682900000000,  0.0034276400000000 ]  - [  -0.0005624400000000,  0.0012386800000000, -0.0007005700000000 ]  - [  -0.0004789600000000,  0.0014812500000000, -0.0009100500000000 ]  - [   0.0004727300000000,  0.0016265600000000,  0.0010141100000000 ]  - [   0.0004476400000000,  0.0011685800000000,  0.0007384600000000 ]  - [   0.0004103900000000,  0.0014994800000000,  0.0008786700000000 ]  - [   0.0004394400000000,  0.0012722300000000,  0.0008100600000000 ]  - [   0.0004265800000000, -0.0016512900000000,  0.0009653100000000 ]  - [   0.0002545500000000, -0.0011432000000000,  0.0007499800000000 ]  - [   0.0004496400000000, -0.0015081000000000,  0.0008965700000000 ]  - [   0.0005542300000000, -0.0012535600000000,  0.0006915700000000 ]  - [   0.0001053400000000, -0.0020843700000000, -0.0019596600000000 ]  - [  -0.0004562500000000, -0.0013973800000000, -0.0005468200000000 ]  - [  -0.0030151200000000, -0.0039581200000000,  0.0027976500000000 ]  - [  -0.0007290300000000, -0.0031783000000000, -0.0017834400000000 ]  - [  -0.0034488500000000,  0.0004826000000000,  0.0002868100000000 ]  - [  -0.0022000300000000, -0.0020690000000000, -0.0005843200000000 ]  - [  -0.0021301000000000, -0.0015125800000000, -0.0003972700000000 ]  - [  -0.0020781200000000, -0.0017223000000000, -0.0004714400000000 ]  - [   0.0018456000000000, -0.0016480800000000,  0.0004342000000000 ]  - [   0.0035111800000000, -0.0023431500000000,  0.0009063600000000 ]  - [   0.0020292000000000, -0.0016421700000000,  0.0003350900000000 ]  - [   0.0020710900000000, -0.0015038100000000,  0.0002875100000000 ]  - [   0.0011049400000000,  0.0011531700000000,  0.0002926800000000 ]  - [   0.0024353300000000,  0.0016710700000000,  0.0006258800000000 ]  - [   0.0020120300000000,  0.0017176200000000,  0.0004272600000000 ]  - [   0.0021694400000000,  0.0014789900000000,  0.0001881900000000 ]  - [  -0.0019543400000000,  0.0013025700000000, -0.0002062000000000 ]  - [  -0.0026001800000000,  0.0027155000000000, -0.0009918000000000 ]  - [  -0.0021364400000000,  0.0013419100000000, -0.0001744800000000 ]  - [  -0.0011372100000000,  0.0028960700000000, -0.0016084000000000 ]  - [   0.0007388000000000,  0.0047318900000000,  0.0038040600000000 ]  - [   0.0017209400000000,  0.0042017600000000,  0.0033262900000000 ]  - [   0.0007000400000000,  0.0048616600000000,  0.0035104900000000 ]  - [   0.0006431800000000,  0.0039526800000000,  0.0038179200000000 ]  - [  -0.0013574800000000,  0.0029334600000000, -0.0028814700000000 ]  - [  -0.0007408000000000,  0.0050885400000000, -0.0045095200000000 ]  - [   0.0026900900000000, -0.0007326900000000,  0.0011474200000000 ]  - [  -0.0009266700000000,  0.0072796500000000, -0.0027051500000000 ]  - [  -0.0015686200000000, -0.0018272500000000, -0.0030123500000000 ]  - [  -0.0131501700000000, -0.0227174300000000,  0.0044303100000000 ]  - [  -0.0009391100000000, -0.0036045000000000, -0.0038180700000000 ]  - [  -0.0005256600000000, -0.0047250600000000, -0.0036149400000000 ]  - [   0.0002885700000000, -0.0045462500000000,  0.0039411400000000 ]  - [   0.0012143800000000, -0.0037282700000000,  0.0040684300000000 ]  - [   0.0008819500000000, -0.0046442200000000,  0.0036843300000000 ]  - [   0.0009433200000000, -0.0042620900000000,  0.0035234100000000 ]  - [  -0.0026900900000000, -0.0007326900000000, -0.0011474200000000 ]  - [   0.0009266700000000,  0.0072796500000000,  0.0027051500000000 ]  - [   0.0013574800000000,  0.0029334600000000,  0.0028814700000000 ]  - [   0.0007408000000000,  0.0050885400000000,  0.0045095200000000 ]  - [  -0.0007000400000000,  0.0048616600000000, -0.0035104900000000 ]  - [  -0.0006431800000000,  0.0039526800000000, -0.0038179200000000 ]  - [  -0.0007388000000000,  0.0047318900000000, -0.0038040600000000 ]  - [  -0.0017209400000000,  0.0042017600000000, -0.0033262900000000 ]  - [  -0.0002885700000000, -0.0045462500000000, -0.0039411400000000 ]  - [  -0.0012143800000000, -0.0037282700000000, -0.0040684300000000 ]  - [  -0.0008819500000000, -0.0046442200000000, -0.0036843300000000 ]  - [  -0.0009433200000000, -0.0042620900000000, -0.0035234100000000 ]  - [   0.0015686200000000, -0.0018272500000000,  0.0030123500000000 ]  - [   0.0131501700000000, -0.0227174300000000, -0.0044303100000000 ]  - [   0.0009391100000000, -0.0036045000000000,  0.0038180700000000 ]  - [   0.0005256600000000, -0.0047250600000000,  0.0036149400000000 ]- atom:    1  displacement:    [  -0.0013745079689937,  0.0000000000000000,  0.0099050859583939 ]  forces:  - [   0.0004633200000000, -0.0137539800000000, -0.0874483000000000 ]  - [  -0.0000810000000000, -0.0138118300000000, -0.0013640500000000 ]  - [  -0.0001667200000000, -0.0138105400000000,  0.0029539400000000 ]  - [  -0.0001057400000000, -0.0138107400000000,  0.0009435400000000 ]  - [  -0.0001415700000000,  0.0137495500000000,  0.0002516600000000 ]  - [  -0.0010052400000000,  0.0121461800000000,  0.0079685600000000 ]  - [  -0.0001412200000000,  0.0138683400000000,  0.0002475100000000 ]  - [  -0.0010242800000000,  0.0155012800000000,  0.0080571000000000 ]  - [   0.0000470600000000, -0.0138085900000000, -0.0004227900000000 ]  - [  -0.0005636800000000, -0.0138104700000000, -0.0005075400000000 ]  - [   0.0002004600000000, -0.0138098500000000,  0.0005021800000000 ]  - [   0.0002518100000000, -0.0138098900000000,  0.0005093000000000 ]  - [   0.0003546200000000,  0.0138426800000000,  0.0001404600000000 ]  - [   0.0000304500000000,  0.0136276300000000, -0.0000226200000000 ]  - [   0.0003559900000000,  0.0137778600000000,  0.0001379800000000 ]  - [   0.0000304500000000,  0.0139920500000000, -0.0000246700000000 ]  - [  -0.0003333700000000,  0.0015925500000000, -0.0012249700000000 ]  - [  -0.0004598600000000,  0.0014702500000000, -0.0010059000000000 ]  - [  -0.0003427900000000,  0.0012070600000000, -0.0005276600000000 ]  - [  -0.0004171900000000,  0.0012369100000000, -0.0006561600000000 ]  - [   0.0004908800000000, -0.0010668600000000, -0.0007386700000000 ]  - [   0.0025266600000000,  0.0059783700000000,  0.0004143900000000 ]  - [   0.0001490800000000,  0.0020791100000000,  0.0018279200000000 ]  - [  -0.0000056700000000,  0.0014447200000000,  0.0018513800000000 ]  - [  -0.0027413900000000,  0.0030635300000000,  0.0040591500000000 ]  - [   0.0009924900000000, -0.0035853100000000,  0.0019065000000000 ]  - [  -0.0008624700000000, -0.0034082000000000,  0.0037043000000000 ]  - [   0.0004658300000000, -0.0011947300000000,  0.0010491600000000 ]  - [  -0.0004357000000000, -0.0013138500000000, -0.0007698000000000 ]  - [  -0.0005118400000000, -0.0013540800000000, -0.0007174100000000 ]  - [  -0.0003484900000000, -0.0015793800000000, -0.0009887400000000 ]  - [  -0.0003239100000000, -0.0013809400000000, -0.0009777400000000 ]  - [  -0.0022275400000000, -0.0017680700000000, -0.0007553400000000 ]  - [  -0.0038127600000000, -0.0025342300000000, -0.0013424800000000 ]  - [  -0.0019075200000000, -0.0015219500000000, -0.0000461500000000 ]  - [  -0.0017443500000000, -0.0012405000000000,  0.0000078700000000 ]  - [   0.0032260300000000, -0.0006784700000000, -0.0026705500000000 ]  - [   0.0022110900000000, -0.0014992700000000, -0.0000151400000000 ]  - [   0.0019273700000000, -0.0019648500000000,  0.0010980000000000 ]  - [   0.0020245300000000, -0.0017648300000000,  0.0007055300000000 ]  - [   0.0019358100000000,  0.0015659100000000,  0.0002949200000000 ]  - [   0.0008203500000000,  0.0018121900000000,  0.0008248300000000 ]  - [   0.0021810100000000,  0.0015903800000000,  0.0005117900000000 ]  - [   0.0034593900000000,  0.0031813900000000,  0.0015643800000000 ]  - [  -0.0025450500000000,  0.0017312600000000, -0.0002198000000000 ]  - [  -0.0022672300000000,  0.0015026700000000, -0.0001588300000000 ]  - [   0.0005627700000000,  0.0003077700000000, -0.0003408600000000 ]  - [  -0.0018049000000000,  0.0016909300000000, -0.0005113900000000 ]  - [  -0.0003898800000000,  0.0038662400000000, -0.0024343900000000 ]  - [   0.0016418700000000, -0.0031773700000000, -0.0012727600000000 ]  - [  -0.0007348800000000,  0.0007172400000000,  0.0001240200000000 ]  - [  -0.0008904600000000,  0.0013578900000000,  0.0001460500000000 ]  - [   0.0005527100000000,  0.0012063800000000,  0.0004785300000000 ]  - [   0.0004242900000000,  0.0013276900000000,  0.0006978700000000 ]  - [   0.0005405900000000,  0.0015918100000000,  0.0011768400000000 ]  - [   0.0004666300000000,  0.0015609100000000,  0.0010480300000000 ]  - [   0.0005349400000000, -0.0012205200000000,  0.0007168400000000 ]  - [   0.0005613600000000, -0.0014200200000000,  0.0007300200000000 ]  - [   0.0004485200000000, -0.0014845900000000,  0.0009338800000000 ]  - [   0.0003723200000000, -0.0014434800000000,  0.0009849200000000 ]  - [  -0.0017411900000000,  0.0006079900000000,  0.0019923000000000 ]  - [  -0.0004185100000000, -0.0016008300000000, -0.0006513600000000 ]  - [  -0.0036633900000000, -0.0059185400000000,  0.0023924600000000 ]  - [   0.0001055100000000,  0.0007767400000000,  0.0001992200000000 ]  - [  -0.0008859500000000, -0.0025129200000000, -0.0033761800000000 ]  - [  -0.0019633800000000, -0.0017064900000000, -0.0007441000000000 ]  - [  -0.0022496700000000, -0.0012413800000000,  0.0003676700000000 ]  - [  -0.0021509100000000, -0.0014410900000000, -0.0000241400000000 ]  - [   0.0019478600000000, -0.0014358500000000, -0.0000273800000000 ]  - [   0.0003590800000000, -0.0006704400000000, -0.0006157600000000 ]  - [   0.0022667100000000, -0.0016837000000000,  0.0006824200000000 ]  - [   0.0024276900000000, -0.0019627700000000,  0.0007361200000000 ]  - [   0.0047126100000000,  0.0028869700000000,  0.0003902600000000 ]  - [   0.0023723300000000,  0.0015147100000000,  0.0002195300000000 ]  - [   0.0016294500000000,  0.0014739200000000,  0.0005077000000000 ]  - [   0.0019078400000000,  0.0017017400000000,  0.0005684400000000 ]  - [  -0.0019934700000000,  0.0016131600000000, -0.0002152400000000 ]  - [  -0.0007209500000000,  0.0000310100000000,  0.0008332000000000 ]  - [  -0.0022393800000000,  0.0016393200000000, -0.0004345900000000 ]  - [  -0.0033476100000000,  0.0014026300000000,  0.0000855100000000 ]  - [   0.0010338400000000,  0.0042919700000000,  0.0041343400000000 ]  - [   0.0018408400000000,  0.0046491200000000,  0.0039042200000000 ]  - [   0.0002559300000000,  0.0049779200000000,  0.0028956900000000 ]  - [  -0.0001461800000000,  0.0039479000000000,  0.0032549800000000 ]  - [   0.0012876500000000,  0.0036766000000000, -0.0069997000000000 ]  - [  -0.0004214400000000,  0.0047996100000000, -0.0050002500000000 ]  - [   0.0084025600000000, -0.0000606900000000,  0.0178474800000000 ]  - [  -0.0012139900000000,  0.0035723100000000, -0.0034272100000000 ]  - [  -0.0006960300000000, -0.0056474800000000, -0.0011961200000000 ]  - [  -0.0093999300000000, -0.0129111100000000,  0.0102989700000000 ]  - [  -0.0008263600000000, -0.0032342600000000, -0.0054077100000000 ]  - [  -0.0015214400000000, -0.0055229100000000, -0.0072606400000000 ]  - [  -0.0000216900000000, -0.0044090300000000,  0.0046399100000000 ]  - [   0.0009341600000000, -0.0040327300000000,  0.0045470500000000 ]  - [   0.0008762100000000, -0.0044553300000000,  0.0028328900000000 ]  - [   0.0008629300000000, -0.0045138100000000,  0.0031108600000000 ]  - [   0.0096625500000000,  0.0085685500000000,  0.0245019900000000 ]  - [   0.0005599200000000,  0.0052838400000000,  0.0039796300000000 ]  - [   0.0030746400000000,  0.0051713100000000,  0.0004226400000000 ]  - [   0.0013524300000000,  0.0040447000000000,  0.0024218100000000 ]  - [  -0.0015152000000000,  0.0038708100000000, -0.0045177700000000 ]  - [  -0.0019156900000000,  0.0048943800000000, -0.0041645700000000 ]  - [  -0.0007406200000000,  0.0045527400000000, -0.0032775200000000 ]  - [   0.0000642700000000,  0.0041980400000000, -0.0035083600000000 ]  - [  -0.0018017500000000, -0.0044473600000000, -0.0027850600000000 ]  - [  -0.0008414200000000, -0.0048097000000000, -0.0028696700000000 ]  - [  -0.0008968200000000, -0.0043898500000000, -0.0045797300000000 ]  - [  -0.0009105200000000, -0.0043309100000000, -0.0043016800000000 ]  - [   0.0010756700000000, -0.0031970300000000,  0.0062234500000000 ]  - [  -0.0078920200000000,  0.0043589700000000,  0.0178277000000000 ]  - [   0.0009481000000000, -0.0056029200000000,  0.0020061600000000 ]  - [   0.0002607300000000, -0.0033291700000000,  0.0001555700000000 ]- atom:   17  displacement:    [   0.0099999998677802,  0.0000000000000000,  0.0000016261596225 ]  forces:  - [   0.0007168100000000, -0.0137796200000000,  0.0002098300000000 ]  - [   0.0001795300000000, -0.0138049600000000,  0.0000067600000000 ]  - [   0.0001261000000000, -0.0138419700000000,  0.0001173900000000 ]  - [   0.0000714300000000, -0.0138130500000000,  0.0000350600000000 ]  - [   0.0001445600000000,  0.0138254500000000,  0.0001139100000000 ]  - [   0.0006386900000000,  0.0139983000000000,  0.0002083500000000 ]  - [   0.0001138000000000,  0.0138024100000000,  0.0000226000000000 ]  - [   0.0002641200000000,  0.0136981400000000, -0.0000332200000000 ]  - [  -0.0009474100000000, -0.0162018600000000,  0.0019732800000000 ]  - [  -0.0002779500000000, -0.0132921000000000,  0.0000086100000000 ]  - [  -0.0000933400000000, -0.0137728800000000, -0.0004663600000000 ]  - [  -0.0002360300000000, -0.0136892600000000, -0.0003288400000000 ]  - [   0.0006779000000000,  0.0112422800000000, -0.0031515100000000 ]  - [  -0.0011877500000000,  0.0135220800000000,  0.0003954100000000 ]  - [  -0.0013190800000000,  0.0143602200000000, -0.0014969800000000 ]  - [  -0.0002392700000000,  0.0137956100000000, -0.0000101300000000 ]  - [  -0.0270671500000000,  0.0001925900000000,  0.0022366300000000 ]  - [  -0.0005546400000000,  0.0013578300000000, -0.0008071700000000 ]  - [  -0.0004684400000000,  0.0014821500000000, -0.0010070000000000 ]  - [  -0.0004844700000000,  0.0014796400000000, -0.0009003100000000 ]  - [   0.0005867600000000,  0.0015428000000000,  0.0008840500000000 ]  - [   0.0005867900000000,  0.0012346800000000,  0.0007022500000000 ]  - [   0.0004850700000000,  0.0015258300000000,  0.0009229100000000 ]  - [   0.0004852500000000,  0.0013346800000000,  0.0009124800000000 ]  - [   0.0005720800000000, -0.0013254500000000,  0.0008764400000000 ]  - [   0.0005430800000000, -0.0016157800000000,  0.0009649700000000 ]  - [   0.0005232100000000, -0.0012887400000000,  0.0006688200000000 ]  - [   0.0004740100000000, -0.0014267800000000,  0.0008413100000000 ]  - [  -0.0005505100000000, -0.0015811300000000, -0.0009041800000000 ]  - [  -0.0007302800000000, -0.0013309500000000, -0.0009465300000000 ]  - [  -0.0005501300000000, -0.0014188800000000, -0.0007827500000000 ]  - [  -0.0007279000000000, -0.0020206200000000, -0.0015903100000000 ]  - [  -0.0013762400000000,  0.0000418100000000, -0.0003046700000000 ]  - [  -0.0022166600000000, -0.0022563000000000, -0.0004781100000000 ]  - [  -0.0021899200000000, -0.0016314100000000, -0.0004247800000000 ]  - [  -0.0021575800000000, -0.0016710100000000, -0.0004364800000000 ]  - [   0.0058202200000000, -0.0015859900000000, -0.0019840000000000 ]  - [   0.0021258900000000, -0.0015354500000000,  0.0002733000000000 ]  - [   0.0019397900000000, -0.0015636300000000,  0.0004403600000000 ]  - [   0.0020227200000000, -0.0015821700000000,  0.0003512400000000 ]  - [   0.0020220800000000,  0.0016496000000000,  0.0004521700000000 ]  - [   0.0068383600000000, -0.0004365400000000,  0.0036585700000000 ]  - [   0.0020913100000000,  0.0016155600000000,  0.0003290600000000 ]  - [   0.0020870600000000,  0.0014860300000000,  0.0001811200000000 ]  - [  -0.0022261100000000,  0.0020373400000000,  0.0003360300000000 ]  - [  -0.0024018200000000,  0.0017838900000000, -0.0005359700000000 ]  - [  -0.0019864500000000,  0.0018356600000000, -0.0006960200000000 ]  - [  -0.0021507400000000,  0.0015739800000000, -0.0004099600000000 ]  - [  -0.0002782800000000,  0.0013773200000000, -0.0008415600000000 ]  - [  -0.0002788300000000,  0.0013426400000000, -0.0008632100000000 ]  - [  -0.0003812100000000,  0.0013985200000000, -0.0008596300000000 ]  - [  -0.0003813300000000,  0.0013603100000000, -0.0008402000000000 ]  - [   0.0038294000000000,  0.0020667800000000,  0.0069160900000000 ]  - [   0.0004040400000000,  0.0013678700000000,  0.0009012300000000 ]  - [   0.0004703800000000,  0.0013188300000000,  0.0006200800000000 ]  - [   0.0003728100000000,  0.0011866700000000,  0.0007910400000000 ]  - [   0.0003665000000000, -0.0015315000000000,  0.0009463300000000 ]  - [   0.0080333300000000,  0.0045451300000000, -0.0040606100000000 ]  - [   0.0003742400000000, -0.0013120200000000,  0.0008561100000000 ]  - [   0.0003008900000000, -0.0013881000000000,  0.0009245500000000 ]  - [  -0.0002734400000000, -0.0013310800000000, -0.0008560500000000 ]  - [  -0.0003636100000000, -0.0014038500000000, -0.0008516000000000 ]  - [  -0.0002742400000000, -0.0013253200000000, -0.0008406700000000 ]  - [  -0.0003640000000000, -0.0013912600000000, -0.0008617800000000 ]  - [  -0.0012614900000000, -0.0011889400000000, -0.0002227600000000 ]  - [  -0.0019680600000000, -0.0016029800000000, -0.0003660100000000 ]  - [  -0.0020218400000000, -0.0015897900000000, -0.0003649600000000 ]  - [  -0.0020289400000000, -0.0015895700000000, -0.0003661400000000 ]  - [   0.0024245000000000, -0.0023165900000000,  0.0010703600000000 ]  - [   0.0021349000000000, -0.0015505600000000,  0.0004217700000000 ]  - [   0.0021928900000000, -0.0015662800000000,  0.0002302600000000 ]  - [   0.0022307700000000, -0.0015665700000000,  0.0002647200000000 ]  - [   0.0028437000000000,  0.0013817500000000, -0.0006127600000000 ]  - [   0.0022153800000000,  0.0018289300000000,  0.0003831900000000 ]  - [   0.0020498500000000,  0.0016008100000000,  0.0004883400000000 ]  - [   0.0021416800000000,  0.0016674700000000,  0.0004284200000000 ]  - [  -0.0018555100000000,  0.0014929000000000, -0.0003434800000000 ]  - [  -0.0016589400000000,  0.0015776700000000, -0.0005061500000000 ]  - [  -0.0019691900000000,  0.0014953900000000, -0.0002767700000000 ]  - [  -0.0017201500000000,  0.0016512100000000, -0.0002451900000000 ]  - [   0.0020942300000000,  0.0040997200000000,  0.0032469200000000 ]  - [   0.0048607000000000,  0.0040907100000000,  0.0033563500000000 ]  - [   0.0010106700000000,  0.0040848800000000,  0.0040973000000000 ]  - [   0.0010860300000000,  0.0046667700000000,  0.0042060900000000 ]  - [  -0.0013864100000000,  0.0037433500000000, -0.0044196900000000 ]  - [  -0.0008665500000000,  0.0045160200000000, -0.0038420000000000 ]  - [  -0.0019108600000000,  0.0040908600000000, -0.0028021000000000 ]  - [  -0.0010448300000000,  0.0045358300000000, -0.0035792500000000 ]  - [  -0.0014353400000000, -0.0047553000000000, -0.0039356500000000 ]  - [  -0.0023675900000000, -0.0036944600000000, -0.0037034000000000 ]  - [  -0.0009176800000000, -0.0045308000000000, -0.0036835100000000 ]  - [  -0.0009727200000000, -0.0043541300000000, -0.0036969200000000 ]  - [   0.0055342800000000, -0.0037133200000000,  0.0004182000000000 ]  - [   0.0015023200000000, -0.0041659800000000,  0.0038553100000000 ]  - [   0.0017256700000000, -0.0046721400000000,  0.0042953000000000 ]  - [   0.0010268000000000, -0.0043183200000000,  0.0036876800000000 ]  - [  -0.0002129300000000,  0.0041880300000000,  0.0036443900000000 ]  - [   0.0004719200000000,  0.0044763700000000,  0.0036222500000000 ]  - [   0.0005437300000000,  0.0044467200000000,  0.0035877900000000 ]  - [   0.0006849400000000,  0.0044487800000000,  0.0036592000000000 ]  - [  -0.0011114900000000,  0.0049975400000000, -0.0032490500000000 ]  - [  -0.0007104100000000,  0.0034621600000000, -0.0021299800000000 ]  - [  -0.0005975000000000,  0.0045066800000000, -0.0045117700000000 ]  - [  -0.0004489800000000,  0.0032999900000000, -0.0043564500000000 ]  - [  -0.0010162500000000, -0.0024792100000000, -0.0033339800000000 ]  - [  -0.0007380800000000, -0.0045704100000000, -0.0036413200000000 ]  - [  -0.0007517300000000, -0.0042649900000000, -0.0032724300000000 ]  - [  -0.0008836100000000, -0.0045005600000000, -0.0035944300000000 ]  - [   0.0003142800000000, -0.0043112800000000,  0.0036097300000000 ]  - [   0.0001838200000000, -0.0045060900000000,  0.0036085000000000 ]  - [   0.0005891900000000, -0.0044023700000000,  0.0037217600000000 ]  - [   0.0004414300000000, -0.0043728600000000,  0.0036445500000000 ]- atom:   17  displacement:    [  -0.0099999998677802,  0.0000000000000000, -0.0000016261596225 ]  forces:  - [  -0.0007163700000000, -0.0138399600000000, -0.0002103800000000 ]  - [  -0.0001785000000000, -0.0138161800000000, -0.0000069100000000 ]  - [  -0.0001252200000000, -0.0137784200000000, -0.0001172500000000 ]  - [  -0.0000703800000000, -0.0138078600000000, -0.0000346200000000 ]  - [  -0.0001433500000000,  0.0137945100000000, -0.0001140900000000 ]  - [  -0.0006377800000000,  0.0136220600000000, -0.0002085400000000 ]  - [  -0.0001129800000000,  0.0138176100000000, -0.0000218400000000 ]  - [  -0.0002637800000000,  0.0139229400000000,  0.0000344100000000 ]  - [   0.0009276300000000, -0.0114106800000000, -0.0019749300000000 ]  - [   0.0002707000000000, -0.0143357000000000, -0.0000167200000000 ]  - [   0.0000924000000000, -0.0138469900000000,  0.0004638300000000 ]  - [   0.0002335200000000, -0.0139302300000000,  0.0003274400000000 ]  - [  -0.0006816700000000,  0.0163601600000000,  0.0031245200000000 ]  - [   0.0011715300000000,  0.0140931700000000, -0.0003859300000000 ]  - [   0.0013169200000000,  0.0132605200000000,  0.0014963600000000 ]  - [   0.0002383900000000,  0.0138243400000000,  0.0000081700000000 ]  - [   0.0257324300000000,  0.0026941200000000, -0.0038856400000000 ]  - [  -0.0003290300000000,  0.0014386900000000, -0.0008965900000000 ]  - [  -0.0004152900000000,  0.0013179100000000, -0.0006983100000000 ]  - [  -0.0003995300000000,  0.0013182800000000, -0.0008036800000000 ]  - [   0.0002982000000000,  0.0012550900000000,  0.0008201700000000 ]  - [   0.0002981300000000,  0.0015649200000000,  0.0010023800000000 ]  - [   0.0003995100000000,  0.0012722800000000,  0.0007815500000000 ]  - [   0.0003996500000000,  0.0014647600000000,  0.0007923900000000 ]  - [   0.0003135100000000, -0.0014730400000000,  0.0008279300000000 ]  - [   0.0003423900000000, -0.0011826000000000,  0.0007394700000000 ]  - [   0.0003613900000000, -0.0015111300000000,  0.0010372400000000 ]  - [   0.0004104300000000, -0.0013720700000000,  0.0008632700000000 ]  - [  -0.0003342400000000, -0.0012198600000000, -0.0008010600000000 ]  - [  -0.0001576700000000, -0.0014643800000000, -0.0007496700000000 ]  - [  -0.0003338300000000, -0.0013810600000000, -0.0009224400000000 ]  - [  -0.0001555100000000, -0.0007816300000000, -0.0001237900000000 ]  - [  -0.0028046400000000, -0.0032614500000000, -0.0004202400000000 ]  - [  -0.0019556400000000, -0.0009463800000000, -0.0002541900000000 ]  - [  -0.0019847900000000, -0.0015741200000000, -0.0003043900000000 ]  - [  -0.0020164400000000, -0.0015338500000000, -0.0002921300000000 ]  - [  -0.0017189100000000, -0.0016171700000000,  0.0027644400000000 ]  - [   0.0020507200000000, -0.0016712200000000,  0.0004560100000000 ]  - [   0.0022363400000000, -0.0016418600000000,  0.0002890600000000 ]  - [   0.0021537000000000, -0.0016247200000000,  0.0003788400000000 ]  - [   0.0021540600000000,  0.0015553600000000,  0.0002764600000000 ]  - [  -0.0027375600000000,  0.0036898100000000, -0.0030023400000000 ]  - [   0.0020847500000000,  0.0015897800000000,  0.0004000800000000 ]  - [   0.0020896400000000,  0.0017201700000000,  0.0005486800000000 ]  - [  -0.0019509200000000,  0.0011660900000000, -0.0010682500000000 ]  - [  -0.0017668100000000,  0.0014138400000000, -0.0001849200000000 ]  - [  -0.0021805400000000,  0.0013713200000000, -0.0000383200000000 ]  - [  -0.0020229200000000,  0.0016311700000000, -0.0003195300000000 ]  - [  -0.0006041900000000,  0.0014201200000000, -0.0008625500000000 ]  - [  -0.0006047300000000,  0.0014570000000000, -0.0008417400000000 ]  - [  -0.0005022400000000,  0.0013997100000000, -0.0008448400000000 ]  - [  -0.0005023400000000,  0.0014385200000000, -0.0008644700000000 ]  - [  -0.0029058700000000,  0.0007384000000000, -0.0051214400000000 ]  - [   0.0004793900000000,  0.0014282200000000,  0.0008020000000000 ]  - [   0.0004131800000000,  0.0014802800000000,  0.0010844800000000 ]  - [   0.0005102400000000,  0.0016093600000000,  0.0009136600000000 ]  - [   0.0005167500000000, -0.0012697400000000,  0.0007594400000000 ]  - [  -0.0069995800000000, -0.0072302800000000,  0.0056748600000000 ]  - [   0.0005096800000000, -0.0014872600000000,  0.0008484100000000 ]  - [   0.0005822300000000, -0.0014094700000000,  0.0007794800000000 ]  - [  -0.0006088800000000, -0.0014678700000000, -0.0008495800000000 ]  - [  -0.0005196300000000, -0.0013949400000000, -0.0008530200000000 ]  - [  -0.0006096600000000, -0.0014732800000000, -0.0008635200000000 ]  - [  -0.0005200600000000, -0.0014069000000000, -0.0008425800000000 ]  - [  -0.0029073800000000, -0.0020111800000000, -0.0005046600000000 ]  - [  -0.0022077400000000, -0.0016035000000000, -0.0003636300000000 ]  - [  -0.0021532000000000, -0.0016154500000000, -0.0003641100000000 ]  - [  -0.0021462800000000, -0.0016162100000000, -0.0003631800000000 ]  - [   0.0017528800000000, -0.0008989700000000, -0.0003293000000000 ]  - [   0.0020379300000000, -0.0016536900000000,  0.0003069200000000 ]  - [   0.0019820800000000, -0.0016389100000000,  0.0004971300000000 ]  - [   0.0019440000000000, -0.0016383600000000,  0.0004638300000000 ]  - [   0.0013409900000000,  0.0018188100000000,  0.0013229500000000 ]  - [   0.0019579900000000,  0.0013779400000000,  0.0003460200000000 ]  - [   0.0021248300000000,  0.0016042700000000,  0.0002413500000000 ]  - [   0.0020327300000000,  0.0015375300000000,  0.0003004000000000 ]  - [  -0.0023182300000000,  0.0017113400000000, -0.0003853000000000 ]  - [  -0.0025154100000000,  0.0016289800000000, -0.0002243700000000 ]  - [  -0.0022057900000000,  0.0017089200000000, -0.0004510800000000 ]  - [  -0.0024547400000000,  0.0015551600000000, -0.0004837000000000 ]  - [  -0.0003174000000000,  0.0047452500000000,  0.0041660000000000 ]  - [  -0.0030393400000000,  0.0046652300000000,  0.0040776400000000 ]  - [   0.0007641000000000,  0.0047599100000000,  0.0033200700000000 ]  - [   0.0006861800000000,  0.0041788000000000,  0.0032127200000000 ]  - [  -0.0003911800000000,  0.0051028000000000, -0.0029969300000000 ]  - [  -0.0009115400000000,  0.0043305100000000, -0.0035743500000000 ]  - [   0.0001365000000000,  0.0047578800000000, -0.0046189600000000 ]  - [  -0.0007307500000000,  0.0043090600000000, -0.0038363100000000 ]  - [  -0.0003402900000000, -0.0040888100000000, -0.0034788800000000 ]  - [   0.0005888700000000, -0.0051545500000000, -0.0037095800000000 ]  - [  -0.0008572900000000, -0.0043131600000000, -0.0037322400000000 ]  - [  -0.0008024900000000, -0.0044913300000000, -0.0037194900000000 ]  - [  -0.0037103300000000, -0.0051315500000000,  0.0069671900000000 ]  - [   0.0002685600000000, -0.0046732600000000,  0.0035634900000000 ]  - [   0.0000529800000000, -0.0041789800000000,  0.0031213600000000 ]  - [   0.0007478700000000, -0.0045228100000000,  0.0037210700000000 ]  - [   0.0019793900000000,  0.0046554300000000,  0.0037719500000000 ]  - [   0.0013009700000000,  0.0043692100000000,  0.0037930800000000 ]  - [   0.0012297200000000,  0.0043979100000000,  0.0038260700000000 ]  - [   0.0010889900000000,  0.0043963800000000,  0.0037554600000000 ]  - [  -0.0006591000000000,  0.0038533900000000, -0.0041627400000000 ]  - [  -0.0010529200000000,  0.0053750200000000, -0.0052784300000000 ]  - [  -0.0011701900000000,  0.0043413400000000, -0.0029043400000000 ]  - [  -0.0013173300000000,  0.0055375700000000, -0.0030541600000000 ]  - [  -0.0004495200000000, -0.0064746200000000, -0.0040743100000000 ]  - [  -0.0010274900000000, -0.0042701100000000, -0.0037739300000000 ]  - [  -0.0010193900000000, -0.0045805100000000, -0.0041409400000000 ]  - [  -0.0008879900000000, -0.0043438100000000, -0.0038197700000000 ]  - [   0.0014556900000000, -0.0045303300000000,  0.0038042700000000 ]  - [   0.0015895200000000, -0.0043426300000000,  0.0038046200000000 ]  - [   0.0011832800000000, -0.0044409300000000,  0.0036942000000000 ]  - [   0.0013313500000000, -0.0044732000000000,  0.0037723100000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000619300000000, -0.0140395400000000,  0.0001873300000000 ]  - [   0.0000403300000000, -0.0135792800000000,  0.0000780700000000 ]  - [  -0.0000839000000000, -0.0139114900000000, -0.0002066200000000 ]  - [  -0.0000978000000000, -0.0136829800000000, -0.0001781900000000 ]  - [  -0.0000143100000000,  0.0140633500000000,  0.0001794800000000 ]  - [  -0.0004418700000000,  0.0135521800000000, -0.0000806000000000 ]  - [  -0.0000514800000000,  0.0139192700000000, -0.0000935300000000 ]  - [  -0.0000154800000000,  0.0136634400000000, -0.0000479500000000 ]  - [  -0.0046415000000000, -0.0050491700000000, -0.0052184800000000 ]  - [   0.0018260300000000, -0.0108441500000000,  0.0027603600000000 ]  - [   0.0001032700000000, -0.0138935600000000, -0.0000307300000000 ]  - [   0.0000901000000000, -0.0136508700000000, -0.0006780000000000 ]  - [  -0.0024643000000000,  0.0163549000000000,  0.0041743300000000 ]  - [   0.0030719200000000,  0.0155956500000000, -0.0017890100000000 ]  - [  -0.0013264600000000,  0.0144997700000000, -0.0022195200000000 ]  - [   0.0000570700000000,  0.0138046100000000,  0.0002134700000000 ]  - [  -0.0017084800000000, -0.0479437700000000,  0.0239431600000000 ]  - [  -0.0004826600000000,  0.0023713200000000, -0.0010176200000000 ]  - [  -0.0003596800000000,  0.0010471000000000, -0.0009317500000000 ]  - [  -0.0003609500000000,  0.0019084100000000, -0.0012377700000000 ]  - [   0.0006071600000000,  0.0014502400000000,  0.0008573600000000 ]  - [   0.0002975900000000,  0.0014481300000000,  0.0010472300000000 ]  - [   0.0005071900000000,  0.0013375700000000,  0.0008072300000000 ]  - [   0.0003145900000000,  0.0013363100000000,  0.0006793200000000 ]  - [   0.0005157200000000, -0.0017006400000000,  0.0010545000000000 ]  - [   0.0002244300000000, -0.0012103800000000,  0.0008163800000000 ]  - [   0.0005535500000000, -0.0014243900000000,  0.0007671500000000 ]  - [   0.0004144700000000, -0.0013169100000000,  0.0007981200000000 ]  - [  -0.0004228000000000, -0.0007342600000000, -0.0004705900000000 ]  - [   0.0001811900000000, -0.0023194700000000, -0.0030473000000000 ]  - [  -0.0002615200000000, -0.0007352000000000, -0.0008100800000000 ]  - [  -0.0005075300000000, -0.0023202400000000, -0.0006153100000000 ]  - [   0.0002533000000000,  0.0009962800000000, -0.0002217400000000 ]  - [  -0.0033037700000000, -0.0006875600000000,  0.0007485200000000 ]  - [  -0.0019547000000000, -0.0015747000000000, -0.0004922200000000 ]  - [  -0.0021660200000000, -0.0017263000000000, -0.0005914600000000 ]  - [   0.0024792700000000, -0.0025652500000000,  0.0011188800000000 ]  - [   0.0019499600000000, -0.0011397500000000,  0.0002381200000000 ]  - [   0.0021443400000000, -0.0017937000000000,  0.0002990800000000 ]  - [   0.0019004100000000, -0.0012375200000000,  0.0000742600000000 ]  - [   0.0023391700000000,  0.0020715600000000,  0.0007010400000000 ]  - [  -0.0018082000000000,  0.0014486800000000, -0.0013753800000000 ]  - [   0.0022835700000000,  0.0017869300000000,  0.0003512100000000 ]  - [   0.0020529200000000,  0.0014230400000000,  0.0002265900000000 ]  - [  -0.0013411200000000,  0.0015371500000000,  0.0008926000000000 ]  - [  -0.0036629600000000,  0.0034340900000000, -0.0023099500000000 ]  - [  -0.0004195900000000,  0.0019576400000000, -0.0014089800000000 ]  - [  -0.0022031400000000,  0.0016414500000000, -0.0002445000000000 ]  - [  -0.0004995200000000,  0.0013607000000000, -0.0007680800000000 ]  - [  -0.0004634500000000,  0.0013592600000000, -0.0007611000000000 ]  - [  -0.0004811800000000,  0.0014559100000000, -0.0009052900000000 ]  - [  -0.0004426000000000,  0.0014550600000000, -0.0009650100000000 ]  - [  -0.0002464300000000, -0.0004757600000000,  0.0000928600000000 ]  - [   0.0004726500000000,  0.0028070000000000,  0.0013891500000000 ]  - [   0.0005231500000000,  0.0007220700000000,  0.0004137200000000 ]  - [   0.0006542200000000,  0.0019810800000000,  0.0008044400000000 ]  - [   0.0003105900000000, -0.0006896700000000,  0.0007814500000000 ]  - [   0.0063482000000000, -0.0002103400000000, -0.0014619000000000 ]  - [   0.0005289000000000, -0.0006831200000000,  0.0003288600000000 ]  - [   0.0004522900000000, -0.0017845200000000,  0.0009895700000000 ]  - [  -0.0005163500000000, -0.0015026800000000, -0.0008431300000000 ]  - [  -0.0004499200000000, -0.0013263400000000, -0.0008542800000000 ]  - [  -0.0005103800000000, -0.0015025100000000, -0.0009013300000000 ]  - [  -0.0004376900000000, -0.0013265200000000, -0.0008172000000000 ]  - [  -0.0024735900000000, -0.0020327300000000, -0.0003729100000000 ]  - [  -0.0019294500000000, -0.0013312800000000, -0.0001860200000000 ]  - [  -0.0022202600000000, -0.0017884600000000, -0.0005118000000000 ]  - [  -0.0020728400000000, -0.0015225400000000, -0.0003768000000000 ]  - [   0.0014417800000000, -0.0012954800000000,  0.0001687600000000 ]  - [   0.0024073200000000, -0.0017877200000000,  0.0005696100000000 ]  - [   0.0019228900000000, -0.0015825800000000,  0.0003852600000000 ]  - [   0.0022561000000000, -0.0015274800000000,  0.0001664800000000 ]  - [   0.0015786400000000,  0.0015740900000000,  0.0008450500000000 ]  - [   0.0026938000000000,  0.0018287800000000,  0.0004954800000000 ]  - [   0.0016563400000000,  0.0012596600000000,  0.0001114700000000 ]  - [   0.0021634000000000,  0.0016957000000000,  0.0003815400000000 ]  - [  -0.0022900000000000,  0.0018113700000000, -0.0004643600000000 ]  - [  -0.0018224300000000,  0.0014506200000000, -0.0004606900000000 ]  - [  -0.0024298600000000,  0.0018969300000000, -0.0004760300000000 ]  - [  -0.0021197500000000,  0.0014103100000000, -0.0003336100000000 ]  - [   0.0006338600000000,  0.0008790600000000,  0.0013765000000000 ]  - [  -0.0024109300000000,  0.0265652200000000, -0.0033164000000000 ]  - [   0.0004678200000000,  0.0034607400000000,  0.0044732100000000 ]  - [   0.0009089800000000,  0.0048157600000000,  0.0040738000000000 ]  - [  -0.0007020800000000,  0.0056450000000000, -0.0032183600000000 ]  - [  -0.0000468300000000,  0.0035313900000000, -0.0035788500000000 ]  - [  -0.0014415600000000,  0.0050152000000000, -0.0038370600000000 ]  - [  -0.0008356000000000,  0.0040424000000000, -0.0037604100000000 ]  - [  -0.0018540000000000, -0.0051269000000000, -0.0042070400000000 ]  - [   0.0004933200000000, -0.0039031300000000, -0.0045949000000000 ]  - [  -0.0009702300000000, -0.0047018500000000, -0.0034442700000000 ]  - [  -0.0007868400000000, -0.0042392100000000, -0.0033405800000000 ]  - [   0.0019961300000000,  0.0025896500000000, -0.0033368200000000 ]  - [   0.0013247400000000, -0.0063553600000000,  0.0025234000000000 ]  - [   0.0004509200000000, -0.0025168000000000,  0.0034254300000000 ]  - [   0.0006928500000000, -0.0056346300000000,  0.0053012800000000 ]  - [   0.0011988600000000,  0.0049739200000000,  0.0034491500000000 ]  - [   0.0007665400000000,  0.0039359900000000,  0.0035686500000000 ]  - [   0.0011495900000000,  0.0047234700000000,  0.0039499500000000 ]  - [   0.0009641100000000,  0.0041526900000000,  0.0038851800000000 ]  - [  -0.0003645900000000,  0.0034361700000000, -0.0039660600000000 ]  - [  -0.0019083400000000,  0.0048186700000000, -0.0021401700000000 ]  - [   0.0004347700000000,  0.0030952800000000, -0.0017521700000000 ]  - [  -0.0015023500000000,  0.0058670400000000, -0.0047718200000000 ]  - [   0.0028235100000000, -0.0016222700000000, -0.0054660900000000 ]  - [  -0.0019741000000000, -0.0062934500000000, -0.0044098100000000 ]  - [  -0.0005796600000000, -0.0035180500000000, -0.0026790500000000 ]  - [  -0.0011025500000000, -0.0050998500000000, -0.0034043200000000 ]  - [   0.0012653400000000, -0.0048344700000000,  0.0036613400000000 ]  - [   0.0009095900000000, -0.0040915800000000,  0.0035580200000000 ]  - [   0.0010501200000000, -0.0045626800000000,  0.0037631600000000 ]  - [   0.0008986400000000, -0.0043142400000000,  0.0040544100000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000638500000000, -0.0135834200000000, -0.0001850200000000 ]  - [  -0.0000408300000000, -0.0140409200000000, -0.0000769900000000 ]  - [   0.0000831500000000, -0.0137103500000000,  0.0002051300000000 ]  - [   0.0000966900000000, -0.0139369500000000,  0.0001759500000000 ]  - [   0.0000129900000000,  0.0135585500000000, -0.0001790400000000 ]  - [   0.0004389700000000,  0.0140666600000000,  0.0000810900000000 ]  - [   0.0000514200000000,  0.0137013000000000,  0.0000930600000000 ]  - [   0.0000154600000000,  0.0139554600000000,  0.0000466000000000 ]  - [   0.0047293200000000, -0.0227074800000000,  0.0053265600000000 ]  - [  -0.0017978800000000, -0.0167324400000000, -0.0027227700000000 ]  - [  -0.0001031400000000, -0.0137270700000000,  0.0000283500000000 ]  - [  -0.0000884500000000, -0.0139723900000000,  0.0006722500000000 ]  - [   0.0024988600000000,  0.0112594300000000, -0.0042048800000000 ]  - [  -0.0030330800000000,  0.0120449400000000,  0.0017678300000000 ]  - [   0.0013184100000000,  0.0131240300000000,  0.0022021000000000 ]  - [  -0.0000566400000000,  0.0138105600000000, -0.0002122600000000 ]  - [   0.0008037300000000,  0.0498981300000000, -0.0253425100000000 ]  - [  -0.0004018100000000,  0.0004299500000000, -0.0006870200000000 ]  - [  -0.0005239300000000,  0.0017507800000000, -0.0007738400000000 ]  - [  -0.0005225300000000,  0.0008923800000000, -0.0004699500000000 ]  - [   0.0002768800000000,  0.0013501100000000,  0.0008485400000000 ]  - [   0.0005853200000000,  0.0013480100000000,  0.0006581900000000 ]  - [   0.0003770300000000,  0.0014606300000000,  0.0008975200000000 ]  - [   0.0005680700000000,  0.0014594000000000,  0.0010234300000000 ]  - [   0.0003681900000000, -0.0010979700000000,  0.0006506700000000 ]  - [   0.0006576300000000, -0.0015889000000000,  0.0008891700000000 ]  - [   0.0003311100000000, -0.0013730100000000,  0.0009350000000000 ]  - [   0.0004691700000000, -0.0014824400000000,  0.0009063200000000 ]  - [  -0.0004605400000000, -0.0020577700000000, -0.0012320200000000 ]  - [  -0.0010585400000000, -0.0004918600000000,  0.0013253200000000 ]  - [  -0.0006228000000000, -0.0020586600000000, -0.0008935200000000 ]  - [  -0.0003741100000000, -0.0004926500000000, -0.0011045300000000 ]  - [  -0.0044611800000000, -0.0042308200000000, -0.0004921900000000 ]  - [  -0.0008895500000000, -0.0025072200000000, -0.0014645800000000 ]  - [  -0.0022196200000000, -0.0016307800000000, -0.0002373700000000 ]  - [  -0.0020089500000000, -0.0014819300000000, -0.0001413800000000 ]  - [   0.0017216200000000, -0.0006450000000000, -0.0004019100000000 ]  - [   0.0022227700000000, -0.0020654500000000,  0.0004916700000000 ]  - [   0.0020311300000000, -0.0014131200000000,  0.0004293900000000 ]  - [   0.0022725100000000, -0.0019646000000000,  0.0006512200000000 ]  - [   0.0018363200000000,  0.0011364100000000,  0.0000299000000000 ]  - [   0.0059554400000000,  0.0017409700000000,  0.0020906300000000 ]  - [   0.0018923400000000,  0.0014188700000000,  0.0003780800000000 ]  - [   0.0021231100000000,  0.0017800400000000,  0.0004997400000000 ]  - [  -0.0028393400000000,  0.0016660600000000, -0.0016310200000000 ]  - [  -0.0005363800000000, -0.0002028300000000,  0.0015529800000000 ]  - [  -0.0037524400000000,  0.0012468800000000,  0.0006730300000000 ]  - [  -0.0019721500000000,  0.0015616400000000, -0.0004821400000000 ]  - [  -0.0003851400000000,  0.0014384800000000, -0.0009365000000000 ]  - [  -0.0004206300000000,  0.0014370100000000, -0.0009419100000000 ]  - [  -0.0004029800000000,  0.0013432600000000, -0.0008000000000000 ]  - [  -0.0004414400000000,  0.0013424000000000, -0.0007401300000000 ]  - [   0.0010816500000000,  0.0032690100000000,  0.0015567100000000 ]  - [   0.0004124400000000, -0.0000058100000000,  0.0003189800000000 ]  - [   0.0003615200000000,  0.0020727500000000,  0.0012889400000000 ]  - [   0.0002314500000000,  0.0008198700000000,  0.0008983300000000 ]  - [   0.0005723100000000, -0.0021017800000000,  0.0009223400000000 ]  - [  -0.0054270500000000, -0.0026148800000000,  0.0031659800000000 ]  - [   0.0003534500000000, -0.0021154000000000,  0.0013771700000000 ]  - [   0.0004310000000000, -0.0010167100000000,  0.0007123900000000 ]  - [  -0.0003684300000000, -0.0012956900000000, -0.0008605100000000 ]  - [  -0.0004342900000000, -0.0014733300000000, -0.0008506900000000 ]  - [  -0.0003736500000000, -0.0012955300000000, -0.0008033800000000 ]  - [  -0.0004466500000000, -0.0014735200000000, -0.0008878400000000 ]  - [  -0.0017054000000000, -0.0011751500000000, -0.0003549400000000 ]  - [  -0.0022438700000000, -0.0018728600000000, -0.0005421300000000 ]  - [  -0.0019560800000000, -0.0014182000000000, -0.0002181000000000 ]  - [  -0.0021020100000000, -0.0016831200000000, -0.0003524600000000 ]  - [   0.0027282200000000, -0.0019031000000000,  0.0005537500000000 ]  - [   0.0017705200000000, -0.0014220800000000,  0.0001618200000000 ]  - [   0.0022515000000000, -0.0016226200000000,  0.0003434100000000 ]  - [   0.0019197000000000, -0.0016788000000000,  0.0005619800000000 ]  - [   0.0025896300000000,  0.0016323400000000, -0.0001102900000000 ]  - [   0.0014859100000000,  0.0013750200000000,  0.0002339600000000 ]  - [   0.0025189500000000,  0.0019481300000000,  0.0006173700000000 ]  - [   0.0020115000000000,  0.0015081600000000,  0.0003466600000000 ]  - [  -0.0018856000000000,  0.0013946300000000, -0.0002648700000000 ]  - [  -0.0023522200000000,  0.0017532500000000, -0.0002684200000000 ]  - [  -0.0017440400000000,  0.0013083600000000, -0.0002535400000000 ]  - [  -0.0020594500000000,  0.0017926400000000, -0.0003967500000000 ]  - [   0.0011350200000000,  0.0079708800000000,  0.0060453600000000 ]  - [   0.0040796700000000, -0.0165861500000000,  0.0101919000000000 ]  - [   0.0013046700000000,  0.0053753100000000,  0.0029453300000000 ]  - [   0.0008617200000000,  0.0040381700000000,  0.0033553800000000 ]  - [  -0.0010726600000000,  0.0032058100000000, -0.0041953900000000 ]  - [  -0.0017142200000000,  0.0053060100000000, -0.0038342900000000 ]  - [  -0.0003413600000000,  0.0038261100000000, -0.0035714700000000 ]  - [  -0.0009364700000000,  0.0048020900000000, -0.0036561800000000 ]  - [   0.0000831200000000, -0.0037223900000000, -0.0032077200000000 ]  - [  -0.0022623000000000, -0.0049304800000000, -0.0028290700000000 ]  - [  -0.0008030400000000, -0.0041476200000000, -0.0039684600000000 ]  - [  -0.0009867200000000, -0.0046030400000000, -0.0040701000000000 ]  - [  -0.0002875900000000, -0.0115025700000000,  0.0110502700000000 ]  - [   0.0004546400000000, -0.0024956300000000,  0.0048782600000000 ]  - [   0.0013240400000000, -0.0063213700000000,  0.0039838200000000 ]  - [   0.0010762600000000, -0.0032188700000000,  0.0021324000000000 ]  - [   0.0005783800000000,  0.0038718300000000,  0.0039623300000000 ]  - [   0.0010064200000000,  0.0049073900000000,  0.0038457800000000 ]  - [   0.0006254500000000,  0.0041199300000000,  0.0034682700000000 ]  - [   0.0008097500000000,  0.0046924200000000,  0.0035309800000000 ]  - [  -0.0014065100000000,  0.0054007900000000, -0.0034535900000000 ]  - [   0.0001258900000000,  0.0040391900000000, -0.0052770300000000 ]  - [  -0.0022107400000000,  0.0057351700000000, -0.0056756900000000 ]  - [  -0.0002718000000000,  0.0030131600000000, -0.0026441200000000 ]  - [  -0.0044756300000000, -0.0072988200000000, -0.0019590300000000 ]  - [   0.0001866000000000, -0.0025583200000000, -0.0030087300000000 ]  - [  -0.0011930600000000, -0.0053277800000000, -0.0047288700000000 ]  - [  -0.0006728700000000, -0.0037449700000000, -0.0040080700000000 ]  - [   0.0005091900000000, -0.0040150300000000,  0.0037537200000000 ]  - [   0.0008657000000000, -0.0047489400000000,  0.0038565100000000 ]  - [   0.0007243900000000, -0.0042850600000000,  0.0036527800000000 ]  - [   0.0008756700000000, -0.0045291100000000,  0.0033626100000000 ]- atom:   17  displacement:    [  -0.0013745079689937,  0.0000000000000000,  0.0099050859583939 ]  forces:  - [  -0.0003884300000000, -0.0136529600000000, -0.0004442300000000 ]  - [  -0.0000926000000000, -0.0139242500000000, -0.0001651000000000 ]  - [   0.0001112100000000, -0.0137798400000000,  0.0003271700000000 ]  - [   0.0000512100000000, -0.0138521200000000,  0.0001998800000000 ]  - [  -0.0000430900000000,  0.0136957900000000, -0.0001549800000000 ]  - [   0.0002878900000000,  0.0138865500000000, -0.0001003800000000 ]  - [  -0.0000187900000000,  0.0137670900000000,  0.0000782300000000 ]  - [  -0.0000735900000000,  0.0139857600000000,  0.0001330900000000 ]  - [   0.0026712800000000, -0.0177554400000000, -0.0003654100000000 ]  - [  -0.0003291600000000, -0.0137185300000000, -0.0016441500000000 ]  - [  -0.0000715400000000, -0.0137579200000000,  0.0010538400000000 ]  - [   0.0000597100000000, -0.0139758300000000,  0.0010255700000000 ]  - [  -0.0027677000000000,  0.0177369600000000,  0.0032716100000000 ]  - [  -0.0012646000000000,  0.0129253800000000,  0.0008054700000000 ]  - [   0.0022257700000000,  0.0126277200000000,  0.0033521900000000 ]  - [   0.0000562300000000,  0.0141162800000000,  0.0002017700000000 ]  - [   0.0063087100000000,  0.0262755500000000, -0.0495284500000000 ]  - [  -0.0003816900000000,  0.0012398700000000, -0.0010396700000000 ]  - [  -0.0005918400000000,  0.0013095200000000, -0.0002871400000000 ]  - [  -0.0004840100000000,  0.0010063100000000, -0.0004621100000000 ]  - [   0.0002728800000000,  0.0011855700000000,  0.0006943800000000 ]  - [   0.0004538700000000,  0.0014173100000000,  0.0007199400000000 ]  - [   0.0004953400000000,  0.0015524300000000,  0.0010209300000000 ]  - [   0.0005061600000000,  0.0014528200000000,  0.0010224900000000 ]  - [   0.0004483000000000, -0.0012088000000000,  0.0006238200000000 ]  - [   0.0005404100000000, -0.0014055200000000,  0.0007758700000000 ]  - [   0.0002470400000000, -0.0014977500000000,  0.0011172700000000 ]  - [   0.0004264600000000, -0.0014490500000000,  0.0009289100000000 ]  - [  -0.0003579800000000, -0.0014152600000000, -0.0009139600000000 ]  - [  -0.0011228300000000, -0.0016361700000000,  0.0018217200000000 ]  - [  -0.0004774300000000, -0.0017754700000000, -0.0009330100000000 ]  - [  -0.0005014200000000,  0.0008683200000000,  0.0019604300000000 ]  - [  -0.0029472500000000, -0.0030866400000000, -0.0014516800000000 ]  - [  -0.0014443900000000, -0.0017783400000000, -0.0012482500000000 ]  - [  -0.0021051000000000, -0.0014391300000000,  0.0000695800000000 ]  - [  -0.0021310400000000, -0.0014475900000000,  0.0000097900000000 ]  - [  -0.0009967600000000, -0.0008693000000000,  0.0009479400000000 ]  - [   0.0020828500000000, -0.0017470000000000,  0.0003618400000000 ]  - [   0.0022780100000000, -0.0016629000000000,  0.0005954800000000 ]  - [   0.0022333700000000, -0.0018035300000000,  0.0005678900000000 ]  - [   0.0020862200000000,  0.0014000700000000,  0.0001110100000000 ]  - [   0.0056733700000000,  0.0007770500000000,  0.0011581700000000 ]  - [   0.0018910200000000,  0.0014585600000000,  0.0004401300000000 ]  - [   0.0019577100000000,  0.0018060300000000,  0.0006705500000000 ]  - [  -0.0015582000000000,  0.0023176500000000,  0.0005087300000000 ]  - [  -0.0012154600000000,  0.0006840700000000,  0.0006721300000000 ]  - [  -0.0046158200000000,  0.0009824200000000,  0.0015123300000000 ]  - [  -0.0021528500000000,  0.0016922100000000, -0.0004289300000000 ]  - [  -0.0004752700000000,  0.0014920500000000, -0.0009974800000000 ]  - [  -0.0004540900000000,  0.0014906100000000, -0.0009943700000000 ]  - [  -0.0004383100000000,  0.0012874900000000, -0.0007057200000000 ]  - [  -0.0004576900000000,  0.0013523200000000, -0.0007084200000000 ]  - [   0.0059785700000000,  0.0020334700000000,  0.0049109100000000 ]  - [   0.0004963000000000,  0.0008707100000000,  0.0005408200000000 ]  - [   0.0002079000000000,  0.0018442700000000,  0.0014730400000000 ]  - [   0.0003902600000000,  0.0014744300000000,  0.0011402000000000 ]  - [   0.0005450900000000, -0.0014515000000000,  0.0005562400000000 ]  - [  -0.0053956200000000, -0.0044920800000000,  0.0027313000000000 ]  - [   0.0004557200000000, -0.0019319900000000,  0.0012321500000000 ]  - [   0.0005340900000000, -0.0012624200000000,  0.0011447300000000 ]  - [  -0.0004538900000000, -0.0013597800000000, -0.0008512600000000 ]  - [  -0.0004622500000000, -0.0014337000000000, -0.0008521100000000 ]  - [  -0.0004685300000000, -0.0014182700000000, -0.0008540400000000 ]  - [  -0.0004520400000000, -0.0013986200000000, -0.0008511200000000 ]  - [  -0.0022877700000000, -0.0016577700000000, -0.0006170100000000 ]  - [  -0.0021809800000000, -0.0017331200000000, -0.0005100200000000 ]  - [  -0.0019758100000000, -0.0014635000000000, -0.0001735700000000 ]  - [  -0.0020941100000000, -0.0015969600000000, -0.0002790400000000 ]  - [   0.0023046600000000, -0.0014165900000000,  0.0000081600000000 ]  - [   0.0020426600000000, -0.0014556200000000,  0.0000689300000000 ]  - [   0.0020181300000000, -0.0017620500000000,  0.0006248500000000 ]  - [   0.0019292500000000, -0.0016978100000000,  0.0006087300000000 ]  - [   0.0019326700000000,  0.0015798800000000,  0.0004062900000000 ]  - [   0.0017118400000000,  0.0012906400000000,  0.0002046800000000 ]  - [   0.0024760300000000,  0.0017593900000000,  0.0006074700000000 ]  - [   0.0021463000000000,  0.0016883500000000,  0.0004863900000000 ]  - [  -0.0022824700000000,  0.0016552300000000, -0.0003933700000000 ]  - [  -0.0023987900000000,  0.0016694600000000, -0.0002271300000000 ]  - [  -0.0019035200000000,  0.0014832400000000, -0.0003407200000000 ]  - [  -0.0017608400000000,  0.0017346400000000, -0.0003086100000000 ]  - [   0.0005434500000000,  0.0038978100000000,  0.0056838300000000 ]  - [   0.0010600000000000, -0.0002161800000000,  0.0071257400000000 ]  - [   0.0010803100000000,  0.0055661100000000,  0.0022659600000000 ]  - [   0.0011152500000000,  0.0036385700000000,  0.0019852000000000 ]  - [  -0.0016438200000000,  0.0039385600000000, -0.0041760900000000 ]  - [  -0.0014019100000000,  0.0048504200000000, -0.0037884800000000 ]  - [   0.0004758900000000,  0.0041312800000000, -0.0039756700000000 ]  - [  -0.0007330400000000,  0.0045227100000000, -0.0036483300000000 ]  - [  -0.0003502500000000, -0.0040534500000000, -0.0031564400000000 ]  - [  -0.0012648500000000, -0.0049947000000000, -0.0022058000000000 ]  - [  -0.0008089200000000, -0.0042139800000000, -0.0041764700000000 ]  - [  -0.0008770900000000, -0.0045019300000000, -0.0043355200000000 ]  - [  -0.0055158100000000, -0.0157238000000000,  0.0263964500000000 ]  - [   0.0008040800000000, -0.0039968000000000,  0.0043957800000000 ]  - [   0.0007812400000000, -0.0053057900000000,  0.0018595600000000 ]  - [   0.0009045000000000, -0.0038707200000000,  0.0025361600000000 ]  - [   0.0012117800000000,  0.0042730600000000,  0.0041731100000000 ]  - [   0.0011236700000000,  0.0045764400000000,  0.0039880400000000 ]  - [   0.0006798900000000,  0.0043205600000000,  0.0032992700000000 ]  - [   0.0008290200000000,  0.0044973200000000,  0.0034817400000000 ]  - [  -0.0004073200000000,  0.0040595300000000, -0.0040653100000000 ]  - [   0.0000548900000000,  0.0049442200000000, -0.0055478100000000 ]  - [  -0.0018751900000000,  0.0055260900000000, -0.0039705900000000 ]  - [  -0.0013203100000000,  0.0026078300000000, -0.0035876200000000 ]  - [  -0.0001162200000000, -0.0067717600000000,  0.0006157400000000 ]  - [  -0.0007468100000000, -0.0037377700000000, -0.0026481500000000 ]  - [  -0.0010413200000000, -0.0048593600000000, -0.0055296700000000 ]  - [  -0.0007707400000000, -0.0041233400000000, -0.0044456500000000 ]  - [   0.0008856400000000, -0.0042047900000000,  0.0038952500000000 ]  - [   0.0009241900000000, -0.0045935800000000,  0.0040723600000000 ]  - [   0.0009527300000000, -0.0044243400000000,  0.0035045300000000 ]  - [   0.0009881800000000, -0.0044605600000000,  0.0033053000000000 ]- atom:   17  displacement:    [   0.0013745079689937,  0.0000000000000000, -0.0099050859583939 ]  forces:  - [   0.0003853000000000, -0.0139668100000000,  0.0004400300000000 ]  - [   0.0000917700000000, -0.0136969200000000,  0.0001633900000000 ]  - [  -0.0001109500000000, -0.0138408200000000, -0.0003256100000000 ]  - [  -0.0000511400000000, -0.0137691000000000, -0.0001994300000000 ]  - [   0.0000430300000000,  0.0139243700000000,  0.0001544200000000 ]  - [  -0.0002868300000000,  0.0137341000000000,  0.0001002600000000 ]  - [   0.0000178400000000,  0.0138530700000000, -0.0000793200000000 ]  - [   0.0000719500000000,  0.0136363800000000, -0.0001337900000000 ]  - [  -0.0026556400000000, -0.0098711100000000,  0.0003322000000000 ]  - [   0.0003250700000000, -0.0139160900000000,  0.0016337200000000 ]  - [   0.0000720000000000, -0.0138620800000000, -0.0010481200000000 ]  - [  -0.0000561200000000, -0.0136425600000000, -0.0010238600000000 ]  - [   0.0028052800000000,  0.0098398000000000, -0.0032956000000000 ]  - [   0.0012524000000000,  0.0146881400000000, -0.0007989500000000 ]  - [  -0.0022011500000000,  0.0149802300000000, -0.0033204600000000 ]  - [  -0.0000542800000000,  0.0135063300000000, -0.0002049800000000 ]  - [  -0.0070285800000000, -0.0228862100000000,  0.0468068300000000 ]  - [  -0.0005014300000000,  0.0015568100000000, -0.0006659100000000 ]  - [  -0.0002925800000000,  0.0014885200000000, -0.0014150700000000 ]  - [  -0.0003999500000000,  0.0017890600000000, -0.0012408500000000 ]  - [   0.0006097900000000,  0.0016106300000000,  0.0010077500000000 ]  - [   0.0004302200000000,  0.0013808100000000,  0.0009833000000000 ]  - [   0.0003881800000000,  0.0012465400000000,  0.0006842400000000 ]  - [   0.0003779900000000,  0.0013456100000000,  0.0006829300000000 ]  - [   0.0004357000000000, -0.0015885800000000,  0.0010792900000000 ]  - [   0.0003445500000000, -0.0013930500000000,  0.0009282500000000 ]  - [   0.0006343100000000, -0.0013010100000000,  0.0005882000000000 ]  - [   0.0004570400000000, -0.0013494300000000,  0.0007750700000000 ]  - [  -0.0005261900000000, -0.0013822300000000, -0.0007900800000000 ]  - [   0.0002519500000000, -0.0011326700000000, -0.0035777500000000 ]  - [  -0.0004051900000000, -0.0010263800000000, -0.0007757100000000 ]  - [  -0.0003843900000000, -0.0036334400000000, -0.0036133900000000 ]  - [  -0.0012277000000000, -0.0001242000000000,  0.0007091700000000 ]  - [  -0.0027290000000000, -0.0014286400000000,  0.0005168200000000 ]  - [  -0.0020710900000000, -0.0017661300000000, -0.0007964400000000 ]  - [  -0.0020454300000000, -0.0017565800000000, -0.0007380600000000 ]  - [   0.0051381000000000, -0.0023299400000000, -0.0002158600000000 ]  - [   0.0020929600000000, -0.0014594800000000,  0.0003661700000000 ]  - [   0.0018968100000000, -0.0015433300000000,  0.0001346200000000 ]  - [   0.0019421200000000, -0.0014031800000000,  0.0001619800000000 ]  - [   0.0020895800000000,  0.0018044400000000,  0.0006164600000000 ]  - [  -0.0015012500000000,  0.0024341000000000, -0.0004199600000000 ]  - [   0.0022819800000000,  0.0017445600000000,  0.0002883700000000 ]  - [   0.0022159500000000,  0.0014007700000000,  0.0000592900000000 ]  - [  -0.0026276000000000,  0.0008744900000000, -0.0012499500000000 ]  - [  -0.0029549500000000,  0.0025151200000000, -0.0013968600000000 ]  - [   0.0004023800000000,  0.0022172000000000, -0.0022159500000000 ]  - [  -0.0020221800000000,  0.0015144600000000, -0.0003023000000000 ]  - [  -0.0004093300000000,  0.0013070200000000, -0.0007085500000000 ]  - [  -0.0004301800000000,  0.0013080300000000, -0.0007112800000000 ]  - [  -0.0004457500000000,  0.0015101100000000, -0.0009986900000000 ]  - [  -0.0004264200000000,  0.0014458500000000, -0.0009960600000000 ]  - [  -0.0050174500000000,  0.0007662100000000, -0.0031712400000000 ]  - [   0.0003875800000000,  0.0019226000000000,  0.0011599700000000 ]  - [   0.0006759600000000,  0.0009552300000000,  0.0002340100000000 ]  - [   0.0004929100000000,  0.0013234600000000,  0.0005656100000000 ]  - [   0.0003392300000000, -0.0013479900000000,  0.0011476400000000 ]  - [   0.0063133900000000,  0.0017105500000000, -0.0010029400000000 ]  - [   0.0004296300000000, -0.0008695700000000,  0.0004722900000000 ]  - [   0.0003519000000000, -0.0015340600000000,  0.0005579400000000 ]  - [  -0.0004305100000000, -0.0014378900000000, -0.0008531400000000 ]  - [  -0.0004219000000000, -0.0013647700000000, -0.0008527600000000 ]  - [  -0.0004161300000000, -0.0013806100000000, -0.0008518800000000 ]  - [  -0.0004321700000000, -0.0014000100000000, -0.0008546100000000 ]  - [  -0.0018922100000000, -0.0015502500000000, -0.0001144300000000 ]  - [  -0.0019953700000000, -0.0014729700000000, -0.0002200800000000 ]  - [  -0.0021978300000000, -0.0017408700000000, -0.0005551900000000 ]  - [  -0.0020805700000000, -0.0016084500000000, -0.0004503300000000 ]  - [   0.0018692000000000, -0.0017846200000000,  0.0007158100000000 ]  - [   0.0021307500000000, -0.0017492100000000,  0.0006581800000000 ]  - [   0.0021575200000000, -0.0014440500000000,  0.0001047300000000 ]  - [   0.0022454600000000, -0.0015084700000000,  0.0001211500000000 ]  - [   0.0022351900000000,  0.0016278300000000,  0.0003299700000000 ]  - [   0.0024607500000000,  0.0019146500000000,  0.0005238000000000 ]  - [   0.0017018900000000,  0.0014461400000000,  0.0001207400000000 ]  - [   0.0020289200000000,  0.0015164300000000,  0.0002414300000000 ]  - [  -0.0018925000000000,  0.0015498300000000, -0.0003352500000000 ]  - [  -0.0017773800000000,  0.0015357400000000, -0.0005016600000000 ]  - [  -0.0022716100000000,  0.0017223200000000, -0.0003894600000000 ]  - [  -0.0024140400000000,  0.0014716200000000, -0.0004212400000000 ]  - [   0.0012260000000000,  0.0049271500000000,  0.0017333800000000 ]  - [   0.0007102000000000,  0.0091928100000000,  0.0002674700000000 ]  - [   0.0006930700000000,  0.0032920600000000,  0.0051390800000000 ]  - [   0.0006594000000000,  0.0051988700000000,  0.0054216800000000 ]  - [  -0.0001332900000000,  0.0049030000000000, -0.0032448100000000 ]  - [  -0.0003733800000000,  0.0039963600000000, -0.0036290900000000 ]  - [  -0.0022372400000000,  0.0047078400000000, -0.0034363100000000 ]  - [  -0.0010393200000000,  0.0043232200000000, -0.0037653300000000 ]  - [  -0.0014215000000000, -0.0047901100000000, -0.0042569100000000 ]  - [  -0.0005134700000000, -0.0038536100000000, -0.0052033800000000 ]  - [  -0.0009623100000000, -0.0046289400000000, -0.0032418800000000 ]  - [  -0.0008940600000000, -0.0043435600000000, -0.0030835400000000 ]  - [   0.0069826500000000,  0.0062377000000000, -0.0179099900000000 ]  - [   0.0009639400000000, -0.0048427900000000,  0.0030284900000000 ]  - [   0.0009930900000000, -0.0035347900000000,  0.0055396700000000 ]  - [   0.0008691500000000, -0.0049754000000000,  0.0048705000000000 ]  - [   0.0005660300000000,  0.0045724800000000,  0.0032425600000000 ]  - [   0.0006511700000000,  0.0042698900000000,  0.0034269600000000 ]  - [   0.0010935900000000,  0.0045231200000000,  0.0041145000000000 ]  - [   0.0009450700000000,  0.0043479600000000,  0.0039328600000000 ]  - [  -0.0013637500000000,  0.0047798200000000, -0.0033585100000000 ]  - [  -0.0018313300000000,  0.0038988600000000, -0.0018782800000000 ]  - [   0.0000955500000000,  0.0033255100000000, -0.0034346400000000 ]  - [  -0.0004537400000000,  0.0062353400000000, -0.0038136800000000 ]  - [  -0.0016019100000000, -0.0021085400000000, -0.0080401400000000 ]  - [  -0.0010209800000000, -0.0051012500000000, -0.0047678600000000 ]  - [  -0.0007368000000000, -0.0039904200000000, -0.0018964000000000 ]  - [  -0.0010040400000000, -0.0047205800000000, -0.0029719300000000 ]  - [   0.0008905200000000, -0.0046397800000000,  0.0035214500000000 ]  - [   0.0008520800000000, -0.0042520000000000,  0.0033461700000000 ]  - [   0.0008207200000000, -0.0044207300000000,  0.0039082100000000 ]  - [   0.0007853400000000, -0.0043848800000000,  0.0041067500000000 ]- atom:   33  displacement:    [   0.0099999998677802,  0.0000000000000000,  0.0000016261596225 ]  forces:  - [   0.0001827100000000, -0.0140507400000000, -0.0001144100000000 ]  - [   0.0015431100000000, -0.0123937200000000, -0.0015170400000000 ]  - [   0.0000746300000000, -0.0138679900000000,  0.0001911200000000 ]  - [   0.0000293800000000, -0.0138263100000000,  0.0003476600000000 ]  - [   0.0011002400000000,  0.0147891000000000,  0.0027974000000000 ]  - [   0.0001156600000000,  0.0134633500000000,  0.0003019500000000 ]  - [   0.0002404900000000,  0.0138839100000000, -0.0004257600000000 ]  - [   0.0001635600000000,  0.0137277100000000, -0.0001585700000000 ]  - [   0.0135016300000000, -0.0124185700000000,  0.0030635200000000 ]  - [  -0.0000395700000000, -0.0136978400000000,  0.0001195700000000 ]  - [  -0.0000141300000000, -0.0137665800000000, -0.0001660300000000 ]  - [   0.0000379500000000, -0.0138196700000000, -0.0000591600000000 ]  - [   0.0009074300000000,  0.0147612900000000, -0.0011476800000000 ]  - [   0.0000530500000000,  0.0137611600000000, -0.0001449400000000 ]  - [   0.0002518000000000,  0.0133006400000000,  0.0014120200000000 ]  - [  -0.0000514500000000,  0.0139436200000000,  0.0000867100000000 ]  - [   0.0002714900000000,  0.0037599900000000, -0.0016185800000000 ]  - [  -0.0005739400000000,  0.0001945200000000, -0.0002210800000000 ]  - [  -0.0005445300000000,  0.0015311500000000, -0.0008833800000000 ]  - [  -0.0005121400000000,  0.0013216700000000, -0.0009063400000000 ]  - [   0.0041718900000000,  0.0010196300000000, -0.0016953200000000 ]  - [   0.0004805200000000,  0.0015344000000000,  0.0008519500000000 ]  - [   0.0002949600000000,  0.0013433500000000,  0.0010236200000000 ]  - [   0.0003769000000000,  0.0015849000000000,  0.0009896300000000 ]  - [   0.0051869900000000, -0.0052479900000000,  0.0050962400000000 ]  - [   0.0003769400000000, -0.0011497400000000,  0.0008416600000000 ]  - [   0.0004417900000000, -0.0014339000000000,  0.0007212800000000 ]  - [   0.0004456600000000, -0.0012046700000000,  0.0006556000000000 ]  - [  -0.0003436800000000, -0.0030722800000000, -0.0033833700000000 ]  - [  -0.0005060900000000, -0.0012845500000000, -0.0009267200000000 ]  - [  -0.0005807900000000, -0.0021470800000000, -0.0003325900000000 ]  - [  -0.0007600100000000,  0.0001629600000000, -0.0000194700000000 ]  - [  -0.0565702900000000, -0.0056485600000000,  0.0036370700000000 ]  - [  -0.0025778200000000, -0.0015685700000000, -0.0002589800000000 ]  - [  -0.0024780100000000, -0.0017475200000000, -0.0005110100000000 ]  - [  -0.0023811200000000, -0.0016772600000000, -0.0004213200000000 ]  - [   0.0018184100000000, -0.0032562200000000, -0.0003080800000000 ]  - [   0.0018167000000000,  0.0015568800000000, -0.0013255800000000 ]  - [   0.0016364000000000, -0.0014836800000000,  0.0003734700000000 ]  - [   0.0016349400000000, -0.0015369700000000,  0.0004809800000000 ]  - [   0.0007135300000000,  0.0034248100000000,  0.0031412100000000 ]  - [   0.0015441500000000,  0.0014682800000000,  0.0003537100000000 ]  - [   0.0017208100000000,  0.0013777100000000,  0.0001139400000000 ]  - [   0.0017935400000000,  0.0014701600000000,  0.0002352000000000 ]  - [  -0.0031652100000000,  0.0023108100000000, -0.0012597700000000 ]  - [  -0.0026264500000000,  0.0018635600000000, -0.0004213900000000 ]  - [  -0.0031565300000000,  0.0013167500000000, -0.0009359300000000 ]  - [  -0.0026260100000000,  0.0019577300000000, -0.0006155600000000 ]  - [   0.0003786100000000,  0.0010181100000000, -0.0009376900000000 ]  - [  -0.0003218600000000,  0.0015553200000000, -0.0009284900000000 ]  - [  -0.0003758600000000,  0.0012679800000000, -0.0007315500000000 ]  - [  -0.0003831200000000,  0.0014136100000000, -0.0008507200000000 ]  - [   0.0007727600000000,  0.0020394800000000,  0.0011184700000000 ]  - [   0.0004894200000000,  0.0010811700000000,  0.0008146300000000 ]  - [   0.0005467300000000,  0.0015629100000000,  0.0007961400000000 ]  - [   0.0005854000000000,  0.0012310400000000,  0.0007122200000000 ]  - [   0.0011895200000000, -0.0019022600000000,  0.0008061100000000 ]  - [   0.0005693500000000, -0.0007948800000000,  0.0004921200000000 ]  - [   0.0004030300000000, -0.0018304900000000,  0.0012377400000000 ]  - [   0.0004961500000000, -0.0013236200000000,  0.0009186000000000 ]  - [  -0.0000760700000000, -0.0013688800000000, -0.0004733500000000 ]  - [  -0.0003236300000000, -0.0010582100000000, -0.0006509300000000 ]  - [  -0.0000144200000000, -0.0016615300000000, -0.0011043700000000 ]  - [  -0.0002110100000000, -0.0011983800000000, -0.0010162100000000 ]  - [  -0.0013978900000000, -0.0013976400000000, -0.0003795100000000 ]  - [  -0.0013994700000000, -0.0015065000000000, -0.0003107500000000 ]  - [  -0.0017586700000000, -0.0014703500000000, -0.0002792100000000 ]  - [  -0.0017588000000000, -0.0014916200000000, -0.0002873600000000 ]  - [   0.0039194100000000, -0.0021124000000000,  0.0007720700000000 ]  - [   0.0024129600000000, -0.0016631500000000,  0.0003885700000000 ]  - [   0.0025849600000000, -0.0017295700000000,  0.0003811600000000 ]  - [   0.0023773200000000, -0.0016713600000000,  0.0003969700000000 ]  - [   0.0028921000000000,  0.0016544800000000,  0.0002493100000000 ]  - [   0.0025409200000000,  0.0017478000000000,  0.0003889100000000 ]  - [   0.0025236700000000,  0.0018299700000000,  0.0005439800000000 ]  - [   0.0023835000000000,  0.0017139500000000,  0.0004367500000000 ]  - [  -0.0014560600000000,  0.0013780800000000, -0.0002698600000000 ]  - [  -0.0017244800000000,  0.0014865500000000, -0.0003040300000000 ]  - [  -0.0014557700000000,  0.0013839200000000, -0.0003438900000000 ]  - [  -0.0017246800000000,  0.0015568000000000, -0.0003370800000000 ]  - [   0.0190825600000000,  0.0002359100000000, -0.0056275600000000 ]  - [   0.0017248100000000,  0.0034835800000000,  0.0042206200000000 ]  - [   0.0019825200000000,  0.0046614800000000,  0.0037296300000000 ]  - [   0.0015202600000000,  0.0041088200000000,  0.0034094900000000 ]  - [   0.0004172900000000,  0.0050456800000000, -0.0052128100000000 ]  - [  -0.0004286000000000,  0.0035157600000000, -0.0044850200000000 ]  - [  -0.0007575200000000,  0.0056854800000000, -0.0027273000000000 ]  - [  -0.0009809500000000,  0.0037551800000000, -0.0022408100000000 ]  - [   0.0042840000000000, -0.0032501400000000, -0.0031532300000000 ]  - [  -0.0005379200000000, -0.0043109400000000, -0.0037661700000000 ]  - [  -0.0004251800000000, -0.0042822000000000, -0.0035323700000000 ]  - [  -0.0005362900000000, -0.0045063000000000, -0.0036270800000000 ]  - [   0.0091092500000000, -0.0013009400000000,  0.0052587100000000 ]  - [   0.0025884700000000, -0.0045582400000000,  0.0035902500000000 ]  - [   0.0015670800000000, -0.0048213400000000,  0.0045122800000000 ]  - [   0.0014739900000000, -0.0036258000000000,  0.0040537000000000 ]  - [  -0.0010026100000000,  0.0052090900000000,  0.0037611200000000 ]  - [  -0.0003258700000000,  0.0038049000000000,  0.0033593900000000 ]  - [   0.0002662800000000,  0.0044757100000000,  0.0037217700000000 ]  - [   0.0002243000000000,  0.0043264900000000,  0.0036838600000000 ]  - [  -0.0021413300000000,  0.0046921900000000, -0.0031167400000000 ]  - [  -0.0014132800000000,  0.0042264800000000, -0.0034952700000000 ]  - [  -0.0020309300000000,  0.0057930300000000, -0.0062751900000000 ]  - [  -0.0014251800000000,  0.0038718700000000, -0.0040420100000000 ]  - [  -0.0029588400000000, -0.0062864800000000, -0.0025867000000000 ]  - [  -0.0016308400000000, -0.0039533300000000, -0.0038010400000000 ]  - [  -0.0014739800000000, -0.0046710200000000, -0.0041809300000000 ]  - [  -0.0012944200000000, -0.0042294500000000, -0.0037891200000000 ]  - [  -0.0015168400000000, -0.0041258900000000,  0.0041387300000000 ]  - [   0.0001545700000000, -0.0045661600000000,  0.0037408300000000 ]  - [  -0.0000201300000000, -0.0041600500000000,  0.0028021300000000 ]  - [   0.0004018300000000, -0.0045133500000000,  0.0033706700000000 ]- atom:   33  displacement:    [  -0.0099999998677802,  0.0000000000000000, -0.0000016261596225 ]  forces:  - [  -0.0001789300000000, -0.0135677700000000,  0.0001178500000000 ]  - [  -0.0015590200000000, -0.0152435400000000,  0.0015396600000000 ]  - [  -0.0000741700000000, -0.0137515800000000, -0.0001923600000000 ]  - [  -0.0000285000000000, -0.0137936800000000, -0.0003505200000000 ]  - [  -0.0011126800000000,  0.0128193800000000, -0.0028357100000000 ]  - [  -0.0001146300000000,  0.0141608400000000, -0.0003029500000000 ]  - [  -0.0002400600000000,  0.0137338600000000,  0.0004318300000000 ]  - [  -0.0001626000000000,  0.0138921900000000,  0.0001589000000000 ]  - [  -0.0132419800000000, -0.0151825400000000, -0.0030095400000000 ]  - [   0.0000370700000000, -0.0139220700000000, -0.0001199000000000 ]  - [   0.0000119500000000, -0.0138521700000000,  0.0001626600000000 ]  - [  -0.0000386500000000, -0.0138011400000000,  0.0000576600000000 ]  - [  -0.0009127100000000,  0.0128559700000000,  0.0011509800000000 ]  - [  -0.0000548000000000,  0.0138583900000000,  0.0001465400000000 ]  - [  -0.0002596400000000,  0.0143245200000000, -0.0014239800000000 ]  - [   0.0000497400000000,  0.0136765500000000, -0.0000886500000000 ]  - [  -0.0011578800000000, -0.0009541700000000, -0.0000807800000000 ]  - [  -0.0003133800000000,  0.0026081800000000, -0.0014815700000000 ]  - [  -0.0003401200000000,  0.0012661500000000, -0.0008209400000000 ]  - [  -0.0003717700000000,  0.0014786800000000, -0.0008006600000000 ]  - [  -0.0033680200000000,  0.0017771000000000,  0.0034525100000000 ]  - [   0.0004048400000000,  0.0012613900000000,  0.0008516900000000 ]  - [   0.0005909800000000,  0.0014563200000000,  0.0006797900000000 ]  - [   0.0005074200000000,  0.0012125500000000,  0.0007136500000000 ]  - [  -0.0043893100000000,  0.0025170200000000, -0.0034767600000000 ]  - [   0.0005083100000000, -0.0016524700000000,  0.0008633700000000 ]  - [   0.0004437800000000, -0.0013634500000000,  0.0009822000000000 ]  - [   0.0004385000000000, -0.0015956700000000,  0.0010493300000000 ]  - [  -0.0005392300000000,  0.0002606000000000,  0.0016550000000000 ]  - [  -0.0003789900000000, -0.0015153300000000, -0.0007772800000000 ]  - [  -0.0003063200000000, -0.0006482900000000, -0.0013744700000000 ]  - [  -0.0001253500000000, -0.0029638800000000, -0.0016880300000000 ]  - [   0.0521270400000000,  0.0027422400000000, -0.0038393600000000 ]  - [  -0.0015964200000000, -0.0016375700000000, -0.0004694100000000 ]  - [  -0.0016947200000000, -0.0014556200000000, -0.0002186900000000 ]  - [  -0.0017936000000000, -0.0015285500000000, -0.0003084300000000 ]  - [   0.0023815100000000,  0.0000387800000000,  0.0010321400000000 ]  - [   0.0023794000000000, -0.0047713500000000,  0.0020594100000000 ]  - [   0.0025427100000000, -0.0017236100000000,  0.0003558600000000 ]  - [   0.0025412600000000, -0.0016684900000000,  0.0002476800000000 ]  - [   0.0034882700000000, -0.0002103800000000, -0.0024033800000000 ]  - [   0.0026339100000000,  0.0017375400000000,  0.0003762900000000 ]  - [   0.0024588700000000,  0.0018299000000000,  0.0006155800000000 ]  - [   0.0023836500000000,  0.0017338700000000,  0.0004917300000000 ]  - [  -0.0010157200000000,  0.0008869800000000,  0.0005539500000000 ]  - [  -0.0015469700000000,  0.0013400000000000, -0.0003060600000000 ]  - [  -0.0010069300000000,  0.0018829900000000,  0.0001852900000000 ]  - [  -0.0015466000000000,  0.0012462800000000, -0.0001126800000000 ]  - [  -0.0012680400000000,  0.0017861600000000, -0.0007669200000000 ]  - [  -0.0005623200000000,  0.0012407000000000, -0.0007745400000000 ]  - [  -0.0005079100000000,  0.0015320700000000, -0.0009742300000000 ]  - [  -0.0005011600000000,  0.0013842900000000, -0.0008536100000000 ]  - [   0.0001006100000000,  0.0007528200000000,  0.0005856500000000 ]  - [   0.0003918900000000,  0.0017178600000000,  0.0008901400000000 ]  - [   0.0003354000000000,  0.0012340000000000,  0.0009075600000000 ]  - [   0.0002980900000000,  0.0015671800000000,  0.0009915300000000 ]  - [  -0.0003133000000000, -0.0008912500000000,  0.0009029500000000 ]  - [   0.0003113300000000, -0.0020026000000000,  0.0012124800000000 ]  - [   0.0004775500000000, -0.0009675500000000,  0.0004664500000000 ]  - [   0.0003866400000000, -0.0014753400000000,  0.0007848900000000 ]  - [  -0.0008113000000000, -0.0014289900000000, -0.0012349900000000 ]  - [  -0.0005608900000000, -0.0017438800000000, -0.0010556100000000 ]  - [  -0.0008716600000000, -0.0011315600000000, -0.0005961400000000 ]  - [  -0.0006745300000000, -0.0016026200000000, -0.0006869300000000 ]  - [  -0.0027796000000000, -0.0018071100000000, -0.0003480700000000 ]  - [  -0.0027811600000000, -0.0017006000000000, -0.0004193500000000 ]  - [  -0.0024188300000000, -0.0017355700000000, -0.0004503100000000 ]  - [  -0.0024189600000000, -0.0017147300000000, -0.0004425400000000 ]  - [   0.0002610700000000, -0.0010940500000000, -0.0000410600000000 ]  - [   0.0017595400000000, -0.0015421700000000,  0.0003405900000000 ]  - [   0.0015859000000000, -0.0014742700000000,  0.0003465400000000 ]  - [   0.0017957800000000, -0.0015337000000000,  0.0003315400000000 ]  - [   0.0012794100000000,  0.0015503100000000,  0.0004787300000000 ]  - [   0.0016301800000000,  0.0014560800000000,  0.0003396800000000 ]  - [   0.0016480800000000,  0.0013751600000000,  0.0001851000000000 ]  - [   0.0017888500000000,  0.0014902100000000,  0.0002914900000000 ]  - [  -0.0027236100000000,  0.0018287900000000, -0.0004599400000000 ]  - [  -0.0024529200000000,  0.0017201300000000, -0.0004259300000000 ]  - [  -0.0027233800000000,  0.0018216000000000, -0.0003834600000000 ]  - [  -0.0024530400000000,  0.0016491100000000, -0.0003921400000000 ]  - [  -0.0167751200000000,  0.0083488800000000,  0.0124685200000000 ]  - [   0.0000490300000000,  0.0053688400000000,  0.0031898900000000 ]  - [  -0.0002092800000000,  0.0041776300000000,  0.0037008400000000 ]  - [   0.0002517600000000,  0.0047393800000000,  0.0040087000000000 ]  - [  -0.0022106400000000,  0.0037955800000000, -0.0021927100000000 ]  - [  -0.0013572100000000,  0.0053331100000000, -0.0029295400000000 ]  - [  -0.0010392500000000,  0.0031492400000000, -0.0046872600000000 ]  - [  -0.0008039300000000,  0.0050960300000000, -0.0051821600000000 ]  - [  -0.0065472500000000, -0.0058830500000000, -0.0044090300000000 ]  - [  -0.0012478600000000, -0.0045269100000000, -0.0036581300000000 ]  - [  -0.0013564900000000, -0.0045660900000000, -0.0038830600000000 ]  - [  -0.0012424800000000, -0.0043361200000000, -0.0037873000000000 ]  - [  -0.0071705700000000, -0.0073235500000000,  0.0023640100000000 ]  - [  -0.0008192300000000, -0.0042958200000000,  0.0038246700000000 ]  - [   0.0002119200000000, -0.0040207900000000,  0.0028975500000000 ]  - [   0.0002977900000000, -0.0052125400000000,  0.0033632500000000 ]  - [   0.0027856000000000,  0.0036250200000000,  0.0036509500000000 ]  - [   0.0021067600000000,  0.0050479600000000,  0.0040586000000000 ]  - [   0.0015086000000000,  0.0043667700000000,  0.0036918900000000 ]  - [   0.0015524800000000,  0.0045205900000000,  0.0037307300000000 ]  - [   0.0003712600000000,  0.0041495700000000, -0.0042983500000000 ]  - [  -0.0003567400000000,  0.0046197600000000, -0.0039190500000000 ]  - [   0.0002721200000000,  0.0030558100000000, -0.0011545500000000 ]  - [  -0.0003442500000000,  0.0049761800000000, -0.0033714300000000 ]  - [   0.0011966600000000, -0.0025693800000000, -0.0048213700000000 ]  - [  -0.0001352600000000, -0.0048918700000000, -0.0036153300000000 ]  - [  -0.0002943300000000, -0.0041724500000000, -0.0032290500000000 ]  - [  -0.0004763800000000, -0.0046152400000000, -0.0036231500000000 ]  - [   0.0033024800000000, -0.0047174700000000,  0.0032694700000000 ]  - [   0.0016201300000000, -0.0042769800000000,  0.0036732600000000 ]  - [   0.0017992000000000, -0.0046879700000000,  0.0046227800000000 ]  - [   0.0013732400000000, -0.0043295800000000,  0.0040473200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003171900000000, -0.0137653500000000, -0.0002128900000000 ]  - [   0.0007821300000000, -0.0130664200000000, -0.0008347200000000 ]  - [   0.0000073000000000, -0.0137713000000000,  0.0000835200000000 ]  - [   0.0001106900000000, -0.0139091700000000,  0.0003797200000000 ]  - [   0.0007336200000000,  0.0142611000000000,  0.0014045400000000 ]  - [  -0.0000521200000000,  0.0137391200000000, -0.0000965000000000 ]  - [   0.0001112700000000,  0.0136955000000000, -0.0001145600000000 ]  - [  -0.0000901600000000,  0.0139336900000000,  0.0000882900000000 ]  - [   0.0020208200000000, -0.0159004700000000, -0.0006488000000000 ]  - [  -0.0000215700000000, -0.0133430300000000, -0.0001078100000000 ]  - [  -0.0000013100000000, -0.0139009000000000,  0.0003664100000000 ]  - [  -0.0000121000000000, -0.0136904200000000,  0.0001622300000000 ]  - [  -0.0007291200000000,  0.0125123700000000,  0.0001059200000000 ]  - [  -0.0000041300000000,  0.0140713900000000, -0.0000380700000000 ]  - [   0.0008140400000000,  0.0126916400000000,  0.0017102200000000 ]  - [  -0.0000397200000000,  0.0141115200000000, -0.0000165800000000 ]  - [   0.0012255900000000,  0.0040322900000000, -0.0021260300000000 ]  - [  -0.0010931200000000,  0.0023064100000000, -0.0011222000000000 ]  - [  -0.0004708200000000,  0.0014265500000000, -0.0006901300000000 ]  - [  -0.0005106600000000,  0.0012769600000000, -0.0007053700000000 ]  - [   0.0004336500000000,  0.0004388400000000,  0.0001094900000000 ]  - [   0.0003731300000000,  0.0018627600000000,  0.0009882000000000 ]  - [   0.0004029300000000,  0.0012093500000000,  0.0009079300000000 ]  - [   0.0004207000000000,  0.0017620000000000,  0.0010512500000000 ]  - [  -0.0016175900000000, -0.0015529700000000, -0.0002695700000000 ]  - [   0.0004890900000000, -0.0009312100000000,  0.0006546100000000 ]  - [   0.0003245900000000, -0.0015782400000000,  0.0010408900000000 ]  - [   0.0004546700000000, -0.0012154600000000,  0.0007099500000000 ]  - [  -0.0006752400000000, -0.0010396800000000, -0.0002536800000000 ]  - [  -0.0004133500000000, -0.0013599900000000, -0.0009386200000000 ]  - [  -0.0008758400000000, -0.0014645100000000, -0.0016388200000000 ]  - [  -0.0006281600000000,  0.0004249800000000,  0.0000483100000000 ]  - [  -0.0062659900000000, -0.0292889800000000, -0.0149557300000000 ]  - [  -0.0020527700000000, -0.0011961900000000, -0.0002802900000000 ]  - [  -0.0022335600000000, -0.0017251200000000, -0.0002657000000000 ]  - [  -0.0021621500000000, -0.0014843100000000, -0.0002403100000000 ]  - [  -0.0011049600000000,  0.0033343300000000,  0.0016527500000000 ]  - [   0.0037122300000000,  0.0032288000000000, -0.0020738600000000 ]  - [   0.0020218800000000, -0.0015898300000000,  0.0003741200000000 ]  - [   0.0019678800000000, -0.0015887200000000,  0.0006792100000000 ]  - [   0.0038937100000000,  0.0058612300000000,  0.0058354500000000 ]  - [   0.0019522000000000,  0.0016232800000000,  0.0002246100000000 ]  - [   0.0018615600000000,  0.0013725200000000,  0.0002415400000000 ]  - [   0.0019552300000000,  0.0017613100000000,  0.0006041600000000 ]  - [  -0.0018061100000000,  0.0014414800000000, -0.0011656300000000 ]  - [  -0.0024432900000000,  0.0019875600000000, -0.0004525600000000 ]  - [  -0.0028018300000000,  0.0014424300000000,  0.0012674100000000 ]  - [  -0.0023490700000000,  0.0019872700000000, -0.0006699000000000 ]  - [  -0.0000317700000000,  0.0009713500000000, -0.0008495900000000 ]  - [  -0.0004418100000000,  0.0016701600000000, -0.0009837100000000 ]  - [  -0.0004291400000000,  0.0012138100000000, -0.0007101200000000 ]  - [  -0.0004286700000000,  0.0014793000000000, -0.0008444200000000 ]  - [   0.0011538400000000,  0.0017033900000000,  0.0007636700000000 ]  - [   0.0003904100000000,  0.0012165800000000,  0.0006969300000000 ]  - [   0.0004054900000000,  0.0014189400000000,  0.0010079200000000 ]  - [   0.0004058600000000,  0.0014753300000000,  0.0009432700000000 ]  - [   0.0002217200000000, -0.0014277900000000,  0.0007972500000000 ]  - [   0.0006689800000000, -0.0011727000000000,  0.0005678300000000 ]  - [   0.0004402800000000, -0.0017445000000000,  0.0010100800000000 ]  - [   0.0005072300000000, -0.0013055500000000,  0.0009484300000000 ]  - [  -0.0004892900000000, -0.0015903300000000, -0.0009909700000000 ]  - [  -0.0003355200000000, -0.0011051300000000, -0.0007166700000000 ]  - [  -0.0004160200000000, -0.0015515600000000, -0.0009169300000000 ]  - [  -0.0003328300000000, -0.0011905900000000, -0.0008903400000000 ]  - [  -0.0019903700000000, -0.0015950900000000, -0.0004079600000000 ]  - [  -0.0018824800000000, -0.0015943800000000, -0.0004027900000000 ]  - [  -0.0019756500000000, -0.0015379100000000, -0.0003013900000000 ]  - [  -0.0019547600000000, -0.0015378500000000, -0.0002957800000000 ]  - [   0.0025951200000000, -0.0016986700000000,  0.0003648500000000 ]  - [   0.0021483200000000, -0.0015177300000000,  0.0002806700000000 ]  - [   0.0022153700000000, -0.0017483400000000,  0.0004842400000000 ]  - [   0.0021565600000000, -0.0015956900000000,  0.0003915900000000 ]  - [   0.0021394900000000,  0.0015303900000000,  0.0002438200000000 ]  - [   0.0022336600000000,  0.0017120400000000,  0.0004105800000000 ]  - [   0.0023155800000000,  0.0016747000000000,  0.0004436300000000 ]  - [   0.0021996900000000,  0.0016819800000000,  0.0004196900000000 ]  - [  -0.0018687000000000,  0.0015057900000000, -0.0002874100000000 ]  - [  -0.0020410600000000,  0.0016209600000000, -0.0003887500000000 ]  - [  -0.0018621500000000,  0.0015059500000000, -0.0003496400000000 ]  - [  -0.0019703200000000,  0.0016211200000000, -0.0003423100000000 ]  - [  -0.0025626300000000,  0.0108891600000000,  0.0101191000000000 ]  - [   0.0010547500000000,  0.0028814200000000,  0.0044322600000000 ]  - [   0.0010717000000000,  0.0053886000000000,  0.0032092200000000 ]  - [   0.0010996500000000,  0.0038116400000000,  0.0030665400000000 ]  - [  -0.0007501500000000,  0.0046776200000000, -0.0035597500000000 ]  - [  -0.0015064700000000,  0.0031459800000000, -0.0047300300000000 ]  - [   0.0006118800000000,  0.0048810600000000, -0.0042495200000000 ]  - [  -0.0014734300000000,  0.0039686800000000, -0.0025374500000000 ]  - [   0.0016673300000000, -0.0008694500000000, -0.0016077000000000 ]  - [  -0.0001364000000000, -0.0055706100000000, -0.0027891700000000 ]  - [  -0.0007071600000000, -0.0040301100000000, -0.0039337800000000 ]  - [  -0.0006870100000000, -0.0047097600000000, -0.0039709100000000 ]  - [   0.0035149000000000, -0.0002511600000000,  0.0052538900000000 ]  - [   0.0018554000000000, -0.0054582300000000,  0.0045182400000000 ]  - [   0.0007905900000000, -0.0042753400000000,  0.0034042600000000 ]  - [   0.0012464700000000, -0.0048576600000000,  0.0033807300000000 ]  - [   0.0008944500000000,  0.0047350000000000,  0.0037801900000000 ]  - [   0.0003294700000000,  0.0039156300000000,  0.0036592400000000 ]  - [   0.0007505800000000,  0.0045052900000000,  0.0035683400000000 ]  - [   0.0006144900000000,  0.0043026500000000,  0.0035943200000000 ]  - [  -0.0008002400000000,  0.0046073500000000, -0.0040064900000000 ]  - [  -0.0009935200000000,  0.0042133200000000, -0.0036337000000000 ]  - [  -0.0013287500000000,  0.0052045500000000, -0.0040136300000000 ]  - [  -0.0012731800000000,  0.0037814600000000, -0.0037865200000000 ]  - [  -0.0017635800000000, -0.0042572900000000, -0.0027489000000000 ]  - [  -0.0007051300000000, -0.0047920400000000, -0.0035150400000000 ]  - [  -0.0012276200000000, -0.0045749300000000, -0.0044450500000000 ]  - [  -0.0009873500000000, -0.0044047100000000, -0.0039322300000000 ]  - [   0.0002691000000000, -0.0039447200000000,  0.0040866000000000 ]  - [   0.0008228500000000, -0.0047610400000000,  0.0037309400000000 ]  - [   0.0004855300000000, -0.0039773700000000,  0.0031578500000000 ]  - [   0.0007794000000000, -0.0046973600000000,  0.0036300600000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003155400000000, -0.0138574200000000,  0.0002104200000000 ]  - [  -0.0007777100000000, -0.0145514100000000,  0.0008305200000000 ]  - [  -0.0000066400000000, -0.0138499300000000, -0.0000817300000000 ]  - [  -0.0001110100000000, -0.0137107500000000, -0.0003799800000000 ]  - [  -0.0007298000000000,  0.0133594900000000, -0.0014023500000000 ]  - [   0.0000520900000000,  0.0138772000000000,  0.0000959100000000 ]  - [  -0.0001121200000000,  0.0139262600000000,  0.0001142200000000 ]  - [   0.0000895700000000,  0.0136864900000000, -0.0000877900000000 ]  - [  -0.0020645900000000, -0.0117443700000000,  0.0006362400000000 ]  - [   0.0000224300000000, -0.0142752800000000,  0.0001076500000000 ]  - [   0.0000006100000000, -0.0137203800000000, -0.0003636000000000 ]  - [   0.0000122400000000, -0.0139293600000000, -0.0001610800000000 ]  - [   0.0007286000000000,  0.0151106800000000, -0.0001052600000000 ]  - [   0.0000049100000000,  0.0135500300000000,  0.0000372000000000 ]  - [  -0.0008068600000000,  0.0149150700000000, -0.0016953100000000 ]  - [   0.0000403300000000,  0.0135105300000000,  0.0000174600000000 ]  - [  -0.0020784100000000, -0.0011949300000000,  0.0004062800000000 ]  - [   0.0002167900000000,  0.0004866800000000, -0.0005876300000000 ]  - [  -0.0004134300000000,  0.0013704400000000, -0.0010123300000000 ]  - [  -0.0003733700000000,  0.0015212100000000, -0.0009983500000000 ]  - [   0.0004644100000000,  0.0023590100000000,  0.0015885900000000 ]  - [   0.0005088900000000,  0.0009369900000000,  0.0007168700000000 ]  - [   0.0004810900000000,  0.0015898400000000,  0.0007982500000000 ]  - [   0.0004632000000000,  0.0010348400000000,  0.0006530800000000 ]  - [   0.0025078000000000, -0.0012604800000000,  0.0019757100000000 ]  - [   0.0003947200000000, -0.0018660900000000,  0.0010497900000000 ]  - [   0.0005587600000000, -0.0012210300000000,  0.0006642900000000 ]  - [   0.0004287800000000, -0.0015833000000000,  0.0009951400000000 ]  - [  -0.0002107000000000, -0.0017501800000000, -0.0014356700000000 ]  - [  -0.0004705700000000, -0.0014396200000000, -0.0007670200000000 ]  - [  -0.0000048300000000, -0.0013354100000000, -0.0000609500000000 ]  - [  -0.0002578200000000, -0.0032115600000000, -0.0017488000000000 ]  - [   0.0021247500000000,  0.0260119100000000,  0.0141258400000000 ]  - [  -0.0021216300000000, -0.0020083500000000, -0.0004493500000000 ]  - [  -0.0019416000000000, -0.0014802900000000, -0.0004618300000000 ]  - [  -0.0020133500000000, -0.0017208900000000, -0.0004878200000000 ]  - [   0.0052240400000000, -0.0064286200000000, -0.0008846800000000 ]  - [   0.0004157700000000, -0.0065340600000000,  0.0028431700000000 ]  - [   0.0021533000000000, -0.0016178300000000,  0.0003571500000000 ]  - [   0.0022078400000000, -0.0016167400000000,  0.0000486300000000 ]  - [   0.0002596000000000, -0.0026992100000000, -0.0051867200000000 ]  - [   0.0022212700000000,  0.0015791000000000,  0.0005028000000000 ]  - [   0.0023136400000000,  0.0018326500000000,  0.0004875600000000 ]  - [   0.0022189300000000,  0.0014439600000000,  0.0001263300000000 ]  - [  -0.0023726100000000,  0.0017558300000000,  0.0004462600000000 ]  - [  -0.0017318200000000,  0.0012183900000000, -0.0002770100000000 ]  - [  -0.0013774000000000,  0.0017568000000000, -0.0019912900000000 ]  - [  -0.0018255500000000,  0.0012181000000000, -0.0000580500000000 ]  - [  -0.0008539400000000,  0.0018288500000000, -0.0008552200000000 ]  - [  -0.0004423400000000,  0.0011284600000000, -0.0007211900000000 ]  - [  -0.0004546900000000,  0.0015839700000000, -0.0009937100000000 ]  - [  -0.0004553000000000,  0.0013186200000000, -0.0008597500000000 ]  - [  -0.0002638100000000,  0.0010957000000000,  0.0009386100000000 ]  - [   0.0004934000000000,  0.0015821300000000,  0.0010077400000000 ]  - [   0.0004782000000000,  0.0013788100000000,  0.0006972700000000 ]  - [   0.0004775600000000,  0.0013239100000000,  0.0007622300000000 ]  - [   0.0006586900000000, -0.0013693100000000,  0.0009063200000000 ]  - [   0.0002178500000000, -0.0016262100000000,  0.0011352500000000 ]  - [   0.0004437600000000, -0.0010558000000000,  0.0006943300000000 ]  - [   0.0003773100000000, -0.0014928600000000,  0.0007568700000000 ]  - [  -0.0003933400000000, -0.0012077800000000, -0.0007120400000000 ]  - [  -0.0005490100000000, -0.0016934800000000, -0.0009875900000000 ]  - [  -0.0004673900000000, -0.0012486700000000, -0.0007889500000000 ]  - [  -0.0005512900000000, -0.0016070800000000, -0.0008141900000000 ]  - [  -0.0021844600000000, -0.0016110500000000, -0.0003220100000000 ]  - [  -0.0022919400000000, -0.0016103200000000, -0.0003258900000000 ]  - [  -0.0021987200000000, -0.0016673900000000, -0.0004272000000000 ]  - [  -0.0022199400000000, -0.0016673200000000, -0.0004328800000000 ]  - [   0.0015767900000000, -0.0015068700000000,  0.0003646300000000 ]  - [   0.0020272600000000, -0.0016876400000000,  0.0004479500000000 ]  - [   0.0019600600000000, -0.0014578000000000,  0.0002455200000000 ]  - [   0.0020188400000000, -0.0016101400000000,  0.0003376500000000 ]  - [   0.0020351900000000,  0.0016745500000000,  0.0004846900000000 ]  - [   0.0019418600000000,  0.0014935100000000,  0.0003186300000000 ]  - [   0.0018607200000000,  0.0015303800000000,  0.0002853600000000 ]  - [   0.0019758700000000,  0.0015236000000000,  0.0003097600000000 ]  - [  -0.0023062900000000,  0.0016994200000000, -0.0004412600000000 ]  - [  -0.0021333700000000,  0.0015837100000000, -0.0003399000000000 ]  - [  -0.0023128000000000,  0.0016995600000000, -0.0003798700000000 ]  - [  -0.0022038700000000,  0.0015839100000000, -0.0003863500000000 ]  - [   0.0043905600000000, -0.0020231700000000, -0.0027659500000000 ]  - [   0.0007203200000000,  0.0059563000000000,  0.0029891800000000 ]  - [   0.0007044400000000,  0.0034614900000000,  0.0042063400000000 ]  - [   0.0006741000000000,  0.0050314200000000,  0.0043430800000000 ]  - [  -0.0010255600000000,  0.0041744800000000, -0.0038642900000000 ]  - [  -0.0002634600000000,  0.0057000100000000, -0.0026854500000000 ]  - [  -0.0023782100000000,  0.0039724000000000, -0.0031671800000000 ]  - [  -0.0002955200000000,  0.0048704100000000, -0.0048793200000000 ]  - [  -0.0036169400000000, -0.0080469900000000, -0.0058558900000000 ]  - [  -0.0016312400000000, -0.0032758900000000, -0.0046150000000000 ]  - [  -0.0010663700000000, -0.0048159400000000, -0.0034819000000000 ]  - [  -0.0010856500000000, -0.0041343800000000, -0.0034461800000000 ]  - [  -0.0015600000000000, -0.0084153700000000,  0.0023586200000000 ]  - [  -0.0000833600000000, -0.0033947600000000,  0.0028968700000000 ]  - [   0.0009885400000000, -0.0045666300000000,  0.0040058900000000 ]  - [   0.0005265800000000, -0.0039924400000000,  0.0040331000000000 ]  - [   0.0008728100000000,  0.0041137700000000,  0.0036372400000000 ]  - [   0.0014435700000000,  0.0049276200000000,  0.0037552900000000 ]  - [   0.0010221100000000,  0.0043403100000000,  0.0038464500000000 ]  - [   0.0011591100000000,  0.0045415900000000,  0.0038208500000000 ]  - [  -0.0009719400000000,  0.0042382100000000, -0.0034110400000000 ]  - [  -0.0007805300000000,  0.0046312100000000, -0.0037808900000000 ]  - [  -0.0004444100000000,  0.0036412300000000, -0.0033932200000000 ]  - [  -0.0005035100000000,  0.0050600700000000, -0.0036294000000000 ]  - [  -0.0000140900000000, -0.0045771900000000, -0.0046669400000000 ]  - [  -0.0010703300000000, -0.0040567400000000, -0.0038994900000000 ]  - [  -0.0005480600000000, -0.0042712800000000, -0.0029750600000000 ]  - [  -0.0007864800000000, -0.0044415700000000, -0.0034845500000000 ]  - [   0.0015017000000000, -0.0049016200000000,  0.0033288300000000 ]  - [   0.0009514400000000, -0.0040838200000000,  0.0036849100000000 ]  - [   0.0012876400000000, -0.0048691100000000,  0.0042553900000000 ]  - [   0.0009938000000000, -0.0041469700000000,  0.0037841900000000 ]- atom:   33  displacement:    [  -0.0013745079689937,  0.0000000000000000,  0.0099050859583939 ]  forces:  - [  -0.0003545800000000, -0.0137081200000000, -0.0004222600000000 ]  - [   0.0001909400000000, -0.0134639500000000, -0.0007174800000000 ]  - [   0.0001028400000000, -0.0138316800000000,  0.0003087000000000 ]  - [   0.0001289200000000, -0.0138839900000000,  0.0003435200000000 ]  - [   0.0001867500000000,  0.0137496100000000, -0.0003050900000000 ]  - [   0.0000408200000000,  0.0135974100000000, -0.0001784100000000 ]  - [  -0.0000886900000000,  0.0137373000000000,  0.0001942600000000 ]  - [  -0.0001768800000000,  0.0139964400000000,  0.0002050700000000 ]  - [   0.0009151200000000, -0.0146446900000000, -0.0030581200000000 ]  - [   0.0000534300000000, -0.0136075600000000, -0.0003891700000000 ]  - [  -0.0000098100000000, -0.0137832200000000,  0.0007537700000000 ]  - [  -0.0000261400000000, -0.0137029900000000,  0.0003460900000000 ]  - [  -0.0013317500000000,  0.0124471400000000,  0.0004443300000000 ]  - [  -0.0000921800000000,  0.0140044300000000, -0.0000607500000000 ]  - [   0.0008124600000000,  0.0132592200000000,  0.0011224900000000 ]  - [   0.0001250700000000,  0.0139496500000000,  0.0001526300000000 ]  - [  -0.0004843700000000,  0.0012084600000000, -0.0018191700000000 ]  - [  -0.0005371500000000,  0.0026591800000000, -0.0018334300000000 ]  - [  -0.0004873300000000,  0.0012556600000000, -0.0004232800000000 ]  - [  -0.0005038000000000,  0.0011863800000000, -0.0004807000000000 ]  - [  -0.0024474900000000,  0.0006929900000000,  0.0014643300000000 ]  - [   0.0003464100000000,  0.0015065200000000,  0.0008378500000000 ]  - [   0.0005365700000000,  0.0014714900000000,  0.0010705900000000 ]  - [   0.0004371800000000,  0.0016589900000000,  0.0010348500000000 ]  - [   0.0030808500000000, -0.0025873600000000,  0.0015212700000000 ]  - [   0.0005378200000000, -0.0011008400000000,  0.0006137400000000 ]  - [   0.0002593800000000, -0.0015297000000000,  0.0011507400000000 ]  - [   0.0004063400000000, -0.0014387400000000,  0.0009497300000000 ]  - [  -0.0007818400000000, -0.0001418100000000,  0.0013079800000000 ]  - [  -0.0004781200000000, -0.0015319700000000, -0.0009107700000000 ]  - [   0.0002781900000000, -0.0025565800000000,  0.0000593500000000 ]  - [  -0.0005733100000000,  0.0003031800000000,  0.0000462800000000 ]  - [   0.0087803200000000, -0.0153305300000000, -0.0347268200000000 ]  - [  -0.0019167500000000, -0.0015235500000000, -0.0005755800000000 ]  - [  -0.0021799700000000, -0.0014861600000000,  0.0001933800000000 ]  - [  -0.0021038900000000, -0.0014697700000000, -0.0001339000000000 ]  - [   0.0004473400000000,  0.0010658500000000,  0.0003137100000000 ]  - [   0.0014635600000000, -0.0032886300000000,  0.0004510100000000 ]  - [   0.0022634700000000, -0.0019302600000000,  0.0007108900000000 ]  - [   0.0021576400000000, -0.0016201000000000,  0.0006963200000000 ]  - [   0.0050048300000000,  0.0067684400000000,  0.0050080900000000 ]  - [   0.0021504800000000,  0.0014825500000000,  0.0000874100000000 ]  - [   0.0018888400000000,  0.0015105700000000,  0.0005471300000000 ]  - [   0.0020004000000000,  0.0018578600000000,  0.0006894600000000 ]  - [  -0.0024905700000000, -0.0000952700000000,  0.0035498600000000 ]  - [  -0.0022629200000000,  0.0018690300000000, -0.0003758000000000 ]  - [  -0.0028468000000000,  0.0024539900000000,  0.0035878200000000 ]  - [  -0.0020721200000000,  0.0016420700000000, -0.0003507400000000 ]  - [  -0.0004128200000000,  0.0014420900000000, -0.0010729800000000 ]  - [  -0.0004594200000000,  0.0015544200000000, -0.0009869200000000 ]  - [  -0.0004515300000000,  0.0012714400000000, -0.0006775700000000 ]  - [  -0.0004514800000000,  0.0013850900000000, -0.0007667900000000 ]  - [   0.0010915200000000,  0.0015022600000000,  0.0005575400000000 ]  - [   0.0004924900000000,  0.0012405300000000,  0.0005709200000000 ]  - [   0.0002958700000000,  0.0013563800000000,  0.0011018900000000 ]  - [   0.0003240300000000,  0.0016176200000000,  0.0011014500000000 ]  - [  -0.0006124100000000, -0.0008608100000000,  0.0007639800000000 ]  - [   0.0004426300000000, -0.0013529100000000,  0.0007453900000000 ]  - [   0.0005698900000000, -0.0015906700000000,  0.0010598100000000 ]  - [   0.0004982100000000, -0.0013921400000000,  0.0009744300000000 ]  - [  -0.0003731200000000, -0.0014344200000000, -0.0008302200000000 ]  - [  -0.0003720000000000, -0.0013352000000000, -0.0008428700000000 ]  - [  -0.0006404800000000, -0.0012676800000000, -0.0006996500000000 ]  - [  -0.0004524700000000, -0.0013276200000000, -0.0008563100000000 ]  - [  -0.0021278600000000, -0.0016686300000000, -0.0004949100000000 ]  - [  -0.0021962900000000, -0.0016582500000000, -0.0005039300000000 ]  - [  -0.0020555700000000, -0.0015525400000000, -0.0002740400000000 ]  - [  -0.0020476900000000, -0.0015552500000000, -0.0002730500000000 ]  - [   0.0022391800000000, -0.0015327300000000,  0.0002167800000000 ]  - [   0.0020672700000000, -0.0015115800000000,  0.0002511500000000 ]  - [   0.0020376700000000, -0.0017036100000000,  0.0005395200000000 ]  - [   0.0020807800000000, -0.0016201300000000,  0.0004284200000000 ]  - [   0.0018650200000000,  0.0014767300000000,  0.0002009000000000 ]  - [   0.0020505600000000,  0.0016283400000000,  0.0003632000000000 ]  - [   0.0022061300000000,  0.0016498200000000,  0.0004538700000000 ]  - [   0.0021193700000000,  0.0016418300000000,  0.0004143100000000 ]  - [  -0.0021534600000000,  0.0016180200000000, -0.0003264600000000 ]  - [  -0.0021096700000000,  0.0015964300000000, -0.0003559200000000 ]  - [  -0.0020799200000000,  0.0015563200000000, -0.0003164300000000 ]  - [  -0.0020768200000000,  0.0016331100000000, -0.0003517000000000 ]  - [  -0.0107618600000000,  0.0109699300000000,  0.0172195300000000 ]  - [   0.0008044200000000,  0.0040856500000000,  0.0042138800000000 ]  - [   0.0005661400000000,  0.0051308300000000,  0.0019085300000000 ]  - [   0.0008885400000000,  0.0040968300000000,  0.0028285500000000 ]  - [  -0.0018308100000000,  0.0051855400000000, -0.0040441300000000 ]  - [  -0.0019395700000000,  0.0034986300000000, -0.0045558400000000 ]  - [   0.0007068000000000,  0.0035961300000000, -0.0042446900000000 ]  - [  -0.0004329400000000,  0.0045100400000000, -0.0037557700000000 ]  - [   0.0000560000000000, -0.0024485800000000,  0.0016282000000000 ]  - [  -0.0004779800000000, -0.0050571500000000, -0.0026214900000000 ]  - [  -0.0007961700000000, -0.0042286300000000, -0.0044860900000000 ]  - [  -0.0008208200000000, -0.0044503300000000, -0.0042977400000000 ]  - [   0.0007186200000000, -0.0030204700000000,  0.0070320900000000 ]  - [   0.0004642200000000, -0.0041452900000000,  0.0047168000000000 ]  - [   0.0016197000000000, -0.0038801000000000,  0.0022124600000000 ]  - [   0.0011141000000000, -0.0053331300000000,  0.0030051600000000 ]  - [   0.0007302300000000,  0.0046801900000000,  0.0041688900000000 ]  - [   0.0008619600000000,  0.0042554300000000,  0.0039138900000000 ]  - [   0.0009445200000000,  0.0043760400000000,  0.0033184400000000 ]  - [   0.0008802300000000,  0.0044242100000000,  0.0034602900000000 ]  - [  -0.0001520200000000,  0.0044766500000000, -0.0044372200000000 ]  - [  -0.0007879500000000,  0.0044132600000000, -0.0038038500000000 ]  - [  -0.0014852300000000,  0.0045934700000000, -0.0033700300000000 ]  - [  -0.0011987900000000,  0.0040360600000000, -0.0036006200000000 ]  - [  -0.0007732100000000, -0.0042105200000000, -0.0024946200000000 ]  - [  -0.0006355100000000, -0.0050074000000000, -0.0031923700000000 ]  - [  -0.0010216800000000, -0.0045075400000000, -0.0045347000000000 ]  - [  -0.0009052600000000, -0.0043964600000000, -0.0041738200000000 ]  - [   0.0013337500000000, -0.0040195800000000,  0.0040497200000000 ]  - [   0.0010362500000000, -0.0045912100000000,  0.0038263300000000 ]  - [   0.0007876500000000, -0.0044139900000000,  0.0034284100000000 ]  - [   0.0008495500000000, -0.0045016800000000,  0.0035667900000000 ]- atom:   33  displacement:    [   0.0013745079689937,  0.0000000000000000, -0.0099050859583939 ]  forces:  - [   0.0003547500000000, -0.0139127200000000,  0.0004192800000000 ]  - [  -0.0001824000000000, -0.0141489700000000,  0.0007089800000000 ]  - [  -0.0001028600000000, -0.0137885900000000, -0.0003070700000000 ]  - [  -0.0001298500000000, -0.0137350500000000, -0.0003423400000000 ]  - [  -0.0001785100000000,  0.0138774200000000,  0.0003260800000000 ]  - [  -0.0000400800000000,  0.0140196900000000,  0.0001803400000000 ]  - [   0.0000891200000000,  0.0138814000000000, -0.0001966500000000 ]  - [   0.0001765000000000,  0.0136236400000000, -0.0002060700000000 ]  - [  -0.0009429500000000, -0.0129796900000000,  0.0030550300000000 ]  - [  -0.0000543100000000, -0.0140121800000000,  0.0003887700000000 ]  - [   0.0000112400000000, -0.0138363400000000, -0.0007543000000000 ]  - [   0.0000271000000000, -0.0139167700000000, -0.0003461500000000 ]  - [   0.0013372300000000,  0.0151803800000000, -0.0004472200000000 ]  - [   0.0000922900000000,  0.0136141400000000,  0.0000617100000000 ]  - [  -0.0008108400000000,  0.0143598600000000, -0.0011211300000000 ]  - [  -0.0001250900000000,  0.0136706600000000, -0.0001533100000000 ]  - [  -0.0003998100000000,  0.0015881200000000,  0.0001138100000000 ]  - [  -0.0003487600000000,  0.0001347500000000,  0.0001350900000000 ]  - [  -0.0003933300000000,  0.0015439800000000, -0.0012817800000000 ]  - [  -0.0003774400000000,  0.0016100800000000, -0.0012237900000000 ]  - [   0.0032887700000000,  0.0020948600000000,  0.0002450900000000 ]  - [   0.0005348000000000,  0.0012924400000000,  0.0008668200000000 ]  - [   0.0003430800000000,  0.0013264200000000,  0.0006357400000000 ]  - [   0.0004437900000000,  0.0011383200000000,  0.0006701000000000 ]  - [  -0.0022026500000000, -0.0002209400000000,  0.0002054300000000 ]  - [   0.0003427800000000, -0.0016959300000000,  0.0010915400000000 ]  - [   0.0006203100000000, -0.0012683600000000,  0.0005535500000000 ]  - [   0.0004747100000000, -0.0013577900000000,  0.0007530200000000 ]  - [  -0.0001002400000000, -0.0026615800000000, -0.0030228900000000 ]  - [  -0.0004031900000000, -0.0012641300000000, -0.0007928600000000 ]  - [  -0.0011475600000000, -0.0002621700000000, -0.0017497300000000 ]  - [  -0.0003097600000000, -0.0030926600000000, -0.0017456600000000 ]  - [  -0.0135857800000000,  0.0123264200000000,  0.0344098800000000 ]  - [  -0.0022599200000000, -0.0016799900000000, -0.0001526300000000 ]  - [  -0.0019970700000000, -0.0017196200000000, -0.0009217200000000 ]  - [  -0.0020726200000000, -0.0017343500000000, -0.0005947300000000 ]  - [   0.0037227100000000, -0.0042561400000000,  0.0004031200000000 ]  - [   0.0027137100000000,  0.0000952300000000,  0.0002593500000000 ]  - [   0.0019079200000000, -0.0012716200000000,  0.0000165300000000 ]  - [   0.0020157500000000, -0.0015841100000000,  0.0000316500000000 ]  - [  -0.0008676700000000, -0.0036507400000000, -0.0043474900000000 ]  - [   0.0020228300000000,  0.0017201400000000,  0.0006410600000000 ]  - [   0.0022843100000000,  0.0016910400000000,  0.0001787600000000 ]  - [   0.0021734600000000,  0.0013473400000000,  0.0000384200000000 ]  - [  -0.0016736100000000,  0.0033277200000000, -0.0043600100000000 ]  - [  -0.0019131200000000,  0.0013341000000000, -0.0003520300000000 ]  - [  -0.0013441300000000,  0.0007782000000000, -0.0042269300000000 ]  - [  -0.0021060900000000,  0.0015651100000000, -0.0003801500000000 ]  - [  -0.0004631000000000,  0.0013538500000000, -0.0006332700000000 ]  - [  -0.0004213900000000,  0.0012443300000000, -0.0007183300000000 ]  - [  -0.0004297900000000,  0.0015256100000000, -0.0010261800000000 ]  - [  -0.0004295300000000,  0.0014127700000000, -0.0009378100000000 ]  - [  -0.0002054500000000,  0.0012973400000000,  0.0011454500000000 ]  - [   0.0003890100000000,  0.0015565300000000,  0.0011333900000000 ]  - [   0.0005863500000000,  0.0014425200000000,  0.0006025600000000 ]  - [   0.0005577900000000,  0.0011791900000000,  0.0006022400000000 ]  - [   0.0015085200000000, -0.0019456000000000,  0.0009399300000000 ]  - [   0.0004383400000000, -0.0014454000000000,  0.0009597300000000 ]  - [   0.0003121100000000, -0.0012076500000000,  0.0006446000000000 ]  - [   0.0003835900000000, -0.0014053000000000,  0.0007297500000000 ]  - [  -0.0005055900000000, -0.0013630500000000, -0.0008714500000000 ]  - [  -0.0005093000000000, -0.0014606100000000, -0.0008605500000000 ]  - [  -0.0002408300000000, -0.0015303400000000, -0.0010058300000000 ]  - [  -0.0004274700000000, -0.0014690300000000, -0.0008496700000000 ]  - [  -0.0020453800000000, -0.0015353000000000, -0.0002342500000000 ]  - [  -0.0019751300000000, -0.0015454500000000, -0.0002239300000000 ]  - [  -0.0021184600000000, -0.0016509800000000, -0.0004538600000000 ]  - [  -0.0021261700000000, -0.0016482700000000, -0.0004549900000000 ]  - [   0.0019365100000000, -0.0016714800000000,  0.0005105600000000 ]  - [   0.0021095300000000, -0.0016928000000000,  0.0004769100000000 ]  - [   0.0021407500000000, -0.0015011600000000,  0.0001886500000000 ]  - [   0.0020958500000000, -0.0015847000000000,  0.0003000400000000 ]  - [   0.0023137900000000,  0.0017287100000000,  0.0005281200000000 ]  - [   0.0021268200000000,  0.0015763400000000,  0.0003652000000000 ]  - [   0.0019710100000000,  0.0015546900000000,  0.0002743600000000 ]  - [   0.0020572900000000,  0.0015626800000000,  0.0003139100000000 ]  - [  -0.0020182200000000,  0.0015852200000000, -0.0004015100000000 ]  - [  -0.0020640600000000,  0.0016070800000000, -0.0003719400000000 ]  - [  -0.0020938000000000,  0.0016477100000000, -0.0004121900000000 ]  - [  -0.0020972100000000,  0.0015711400000000, -0.0003768000000000 ]  - [   0.0131453300000000, -0.0023932800000000, -0.0102322700000000 ]  - [   0.0009726800000000,  0.0047631400000000,  0.0032001800000000 ]  - [   0.0012059000000000,  0.0037226600000000,  0.0055052200000000 ]  - [   0.0008875500000000,  0.0047453900000000,  0.0045870300000000 ]  - [   0.0000679400000000,  0.0036634500000000, -0.0033882400000000 ]  - [   0.0001744700000000,  0.0053451700000000, -0.0028625100000000 ]  - [  -0.0024742300000000,  0.0052497700000000, -0.0031640000000000 ]  - [  -0.0013444900000000,  0.0043328400000000, -0.0036498100000000 ]  - [  -0.0018468300000000, -0.0064148800000000, -0.0090446900000000 ]  - [  -0.0012946100000000, -0.0037874700000000, -0.0047921100000000 ]  - [  -0.0009740600000000, -0.0046155700000000, -0.0029300000000000 ]  - [  -0.0009502500000000, -0.0043967900000000, -0.0031189800000000 ]  - [   0.0011575700000000, -0.0057127500000000,  0.0004563200000000 ]  - [   0.0013204300000000, -0.0047033000000000,  0.0027028700000000 ]  - [   0.0001525300000000, -0.0049688600000000,  0.0052057200000000 ]  - [   0.0006616300000000, -0.0035078700000000,  0.0044122500000000 ]  - [   0.0010340000000000,  0.0041717300000000,  0.0032483100000000 ]  - [   0.0009058900000000,  0.0045866000000000,  0.0035007800000000 ]  - [   0.0008285200000000,  0.0044697700000000,  0.0040973200000000 ]  - [   0.0008920600000000,  0.0044214900000000,  0.0039568100000000 ]  - [  -0.0016302600000000,  0.0043686200000000, -0.0029748400000000 ]  - [  -0.0009889100000000,  0.0044322000000000, -0.0036141800000000 ]  - [  -0.0002934000000000,  0.0042532600000000, -0.0040439300000000 ]  - [  -0.0005783100000000,  0.0048073300000000, -0.0038159200000000 ]  - [  -0.0010030600000000, -0.0046364200000000, -0.0049258200000000 ]  - [  -0.0011402900000000, -0.0038332300000000, -0.0042271100000000 ]  - [  -0.0007567700000000, -0.0043395700000000, -0.0028829700000000 ]  - [  -0.0008717000000000, -0.0044487100000000, -0.0032426300000000 ]  - [   0.0004357500000000, -0.0048240800000000,  0.0033717900000000 ]  - [   0.0007357300000000, -0.0042553400000000,  0.0035913900000000 ]  - [   0.0009823500000000, -0.0044308100000000,  0.0039814200000000 ]  - [   0.0009229600000000, -0.0043441600000000,  0.0038472400000000 ]- atom:   81  displacement:    [   0.0099999998677802,  0.0000000000000000,  0.0000016261596225 ]  forces:  - [  -0.0006932300000000, -0.0136637400000000,  0.0000505900000000 ]  - [  -0.0016522000000000, -0.0146431500000000,  0.0007289000000000 ]  - [  -0.0005385100000000, -0.0136237200000000, -0.0007102600000000 ]  - [  -0.0006672100000000, -0.0135667800000000, -0.0011311200000000 ]  - [  -0.0031110500000000,  0.0132113900000000, -0.0013496700000000 ]  - [  -0.0008120400000000,  0.0141382100000000, -0.0000641000000000 ]  - [  -0.0004874100000000,  0.0138056700000000, -0.0000787400000000 ]  - [  -0.0003632400000000,  0.0138666000000000, -0.0000749300000000 ]  - [   0.0120049500000000, -0.0101825600000000,  0.0109403200000000 ]  - [   0.0012228500000000, -0.0138594300000000, -0.0001573700000000 ]  - [   0.0008745400000000, -0.0142805000000000,  0.0023270800000000 ]  - [   0.0000923600000000, -0.0136659800000000,  0.0004807200000000 ]  - [   0.0183610800000000,  0.0265342500000000, -0.0063562700000000 ]  - [   0.0008674400000000,  0.0144889800000000,  0.0003121400000000 ]  - [   0.0008100800000000,  0.0134519500000000, -0.0005228400000000 ]  - [   0.0003433900000000,  0.0138612500000000,  0.0001110000000000 ]  - [   0.0007636700000000,  0.0011479500000000, -0.0010297100000000 ]  - [   0.0034969000000000, -0.0018582500000000, -0.0001125700000000 ]  - [  -0.0003196000000000,  0.0009795300000000, -0.0006379600000000 ]  - [  -0.0002410400000000,  0.0014225200000000, -0.0005982300000000 ]  - [  -0.0005817000000000,  0.0019466400000000,  0.0020765100000000 ]  - [   0.0002849700000000,  0.0013487200000000,  0.0009848200000000 ]  - [  -0.0000544500000000,  0.0012121300000000,  0.0000241800000000 ]  - [   0.0004642500000000,  0.0005670600000000,  0.0003373400000000 ]  - [  -0.0010309400000000, -0.0000266400000000,  0.0002704700000000 ]  - [  -0.0001044700000000, -0.0023646800000000,  0.0013160500000000 ]  - [   0.0003570800000000, -0.0012994200000000,  0.0008487400000000 ]  - [   0.0004114500000000, -0.0014819000000000,  0.0009250800000000 ]  - [   0.0041740200000000, -0.0025793600000000, -0.0065670700000000 ]  - [   0.0001747800000000, -0.0018366500000000, -0.0008473600000000 ]  - [   0.0003936500000000, -0.0009583600000000, -0.0008442000000000 ]  - [  -0.0003030800000000, -0.0012100000000000, -0.0008160300000000 ]  - [   0.0155801500000000, -0.0049712500000000, -0.0096838200000000 ]  - [  -0.0012539100000000, -0.0014380400000000, -0.0003332600000000 ]  - [  -0.0009931800000000, -0.0014184900000000, -0.0005348500000000 ]  - [  -0.0014561400000000, -0.0013913900000000, -0.0002772600000000 ]  - [   0.0019997700000000, -0.0010155700000000,  0.0008109500000000 ]  - [   0.0022258900000000, -0.0030918400000000,  0.0019827500000000 ]  - [   0.0025518200000000, -0.0009805200000000, -0.0006396300000000 ]  - [   0.0033976700000000, -0.0017383000000000, -0.0004075400000000 ]  - [   0.0072475900000000,  0.0040812000000000,  0.0019941000000000 ]  - [   0.0024413100000000,  0.0023489500000000,  0.0008253800000000 ]  - [   0.0025520100000000,  0.0017819300000000,  0.0005179300000000 ]  - [   0.0024396800000000,  0.0018010300000000,  0.0004777300000000 ]  - [   0.0059829000000000, -0.0008499600000000,  0.0004685100000000 ]  - [  -0.0003911100000000,  0.0006373400000000, -0.0005584700000000 ]  - [  -0.0014107800000000,  0.0017018600000000,  0.0004683100000000 ]  - [  -0.0015038500000000,  0.0012432200000000, -0.0000534700000000 ]  - [  -0.0015358600000000,  0.0017082900000000, -0.0006790300000000 ]  - [  -0.0008559800000000,  0.0012803400000000, -0.0006719500000000 ]  - [  -0.0007844700000000,  0.0016604700000000, -0.0011074400000000 ]  - [  -0.0006436700000000,  0.0014761800000000, -0.0009385500000000 ]  - [   0.0007294400000000,  0.0000777500000000, -0.0001035500000000 ]  - [   0.0008801500000000,  0.0020151800000000,  0.0004748800000000 ]  - [   0.0002179000000000,  0.0008808700000000,  0.0013000800000000 ]  - [   0.0006180700000000,  0.0024176900000000,  0.0018296800000000 ]  - [   0.0003196300000000,  0.0022028300000000,  0.0015610700000000 ]  - [   0.0005871200000000, -0.0024820000000000,  0.0010104200000000 ]  - [   0.0005750600000000, -0.0010926400000000,  0.0007185700000000 ]  - [   0.0004445600000000, -0.0016146800000000,  0.0009704900000000 ]  - [  -0.0011441700000000, -0.0014214400000000, -0.0009124600000000 ]  - [  -0.0010116600000000, -0.0017752700000000, -0.0009327300000000 ]  - [  -0.0008863800000000, -0.0014110600000000, -0.0008123900000000 ]  - [  -0.0007382800000000, -0.0015613600000000, -0.0008273500000000 ]  - [  -0.0033020200000000, -0.0021595600000000, -0.0005552500000000 ]  - [  -0.0039809900000000, -0.0015907800000000, -0.0007808700000000 ]  - [  -0.0027506700000000, -0.0018746300000000, -0.0004618100000000 ]  - [  -0.0027070500000000, -0.0017373600000000, -0.0003911500000000 ]  - [   0.0009357100000000, -0.0011611000000000, -0.0004009300000000 ]  - [   0.0015486500000000, -0.0012175500000000, -0.0000250100000000 ]  - [   0.0008321300000000, -0.0016895000000000,  0.0009373100000000 ]  - [   0.0015612000000000, -0.0014966400000000,  0.0003925400000000 ]  - [   0.0000080800000000,  0.0007253900000000,  0.0001926100000000 ]  - [   0.0013420000000000,  0.0017871200000000,  0.0005155200000000 ]  - [   0.0014995400000000,  0.0012634600000000,  0.0001491400000000 ]  - [   0.0016800800000000,  0.0015027900000000,  0.0002907700000000 ]  - [  -0.0044972500000000,  0.0022188900000000, -0.0002434100000000 ]  - [  -0.0028192000000000,  0.0016662000000000, -0.0003133500000000 ]  - [  -0.0029942300000000,  0.0020032100000000, -0.0005888600000000 ]  - [  -0.0025719700000000,  0.0017095400000000, -0.0004685700000000 ]  - [  -0.0758241900000000, -0.0065724800000000,  0.0121640600000000 ]  - [  -0.0014635800000000,  0.0045915100000000,  0.0035692600000000 ]  - [  -0.0012275300000000,  0.0041101500000000,  0.0025892700000000 ]  - [  -0.0001872300000000,  0.0045654000000000,  0.0032537400000000 ]  - [   0.0022526200000000,  0.0017652700000000, -0.0018524700000000 ]  - [   0.0022351100000000,  0.0093949300000000,  0.0014729800000000 ]  - [  -0.0002626500000000,  0.0035329100000000, -0.0045993900000000 ]  - [  -0.0002621200000000,  0.0049528900000000, -0.0049992700000000 ]  - [   0.0098457300000000, -0.0031248600000000, -0.0078598800000000 ]  - [  -0.0005071400000000, -0.0043621300000000, -0.0042264100000000 ]  - [  -0.0012397200000000, -0.0043785000000000, -0.0026621700000000 ]  - [  -0.0010269200000000, -0.0046098100000000, -0.0031519500000000 ]  - [  -0.0075917000000000, -0.0061660800000000,  0.0006610000000000 ]  - [  -0.0011380500000000, -0.0037922000000000,  0.0033028900000000 ]  - [  -0.0076079300000000, -0.0030520600000000,  0.0019527400000000 ]  - [  -0.0011440000000000, -0.0063856100000000,  0.0028880100000000 ]  - [   0.0040583800000000,  0.0043640200000000,  0.0038099800000000 ]  - [   0.0040577800000000,  0.0047605800000000,  0.0034500100000000 ]  - [   0.0020537300000000,  0.0044495100000000,  0.0040735900000000 ]  - [   0.0020533400000000,  0.0044905100000000,  0.0042506900000000 ]  - [   0.0053471700000000,  0.0044074700000000, -0.0118484000000000 ]  - [  -0.0003148300000000,  0.0047549500000000, -0.0042480500000000 ]  - [   0.0010889100000000,  0.0032232000000000, -0.0001578200000000 ]  - [  -0.0008152000000000,  0.0048486700000000, -0.0032709600000000 ]  - [   0.0041787800000000,  0.0016882700000000,  0.0002594600000000 ]  - [  -0.0020634900000000, -0.0108893800000000, -0.0006017100000000 ]  - [  -0.0000718900000000, -0.0037744900000000, -0.0042319600000000 ]  - [  -0.0002897900000000, -0.0048386600000000, -0.0043190300000000 ]  - [   0.0036588600000000, -0.0044753900000000,  0.0038800300000000 ]  - [   0.0022228400000000, -0.0043211800000000,  0.0038456200000000 ]  - [   0.0036591700000000, -0.0047694300000000,  0.0045253000000000 ]  - [   0.0022229900000000, -0.0042805200000000,  0.0040595500000000 ]- atom:   81  displacement:    [  -0.0099999998677802,  0.0000000000000000, -0.0000016261596225 ]  forces:  - [   0.0006946800000000, -0.0139583700000000, -0.0000527600000000 ]  - [   0.0016575900000000, -0.0129712300000000, -0.0007351500000000 ]  - [   0.0005390200000000, -0.0139970100000000,  0.0007111800000000 ]  - [   0.0006683700000000, -0.0140535600000000,  0.0011359700000000 ]  - [   0.0031199100000000,  0.0144146500000000,  0.0013558900000000 ]  - [   0.0008117000000000,  0.0134810900000000,  0.0000673300000000 ]  - [   0.0004888700000000,  0.0138151000000000,  0.0000778600000000 ]  - [   0.0003638200000000,  0.0137531900000000,  0.0000739400000000 ]  - [  -0.0118947900000000, -0.0173305400000000, -0.0106170700000000 ]  - [  -0.0012091700000000, -0.0137753100000000,  0.0001651400000000 ]  - [  -0.0008716100000000, -0.0133343000000000, -0.0023186300000000 ]  - [  -0.0000883000000000, -0.0139575500000000, -0.0004835300000000 ]  - [  -0.0179868600000000,  0.0015330000000000,  0.0060546400000000 ]  - [  -0.0008583600000000,  0.0131271300000000, -0.0003118600000000 ]  - [  -0.0008155300000000,  0.0141710300000000,  0.0005252500000000 ]  - [  -0.0003404200000000,  0.0137563200000000, -0.0001062300000000 ]  - [  -0.0016483100000000,  0.0016498200000000, -0.0006757900000000 ]  - [  -0.0044021100000000,  0.0046337900000000, -0.0015630800000000 ]  - [  -0.0005671700000000,  0.0018160900000000, -0.0010626500000000 ]  - [  -0.0006413700000000,  0.0013749100000000, -0.0011132900000000 ]  - [   0.0014652400000000,  0.0008465100000000, -0.0003786500000000 ]  - [   0.0005985700000000,  0.0014497700000000,  0.0007191400000000 ]  - [   0.0009402500000000,  0.0015831200000000,  0.0016870400000000 ]  - [   0.0004188600000000,  0.0022345800000000,  0.0013695800000000 ]  - [   0.0019245500000000, -0.0027822900000000,  0.0014390800000000 ]  - [   0.0009903300000000, -0.0004272900000000,  0.0003862200000000 ]  - [   0.0005266000000000, -0.0014994900000000,  0.0008554800000000 ]  - [   0.0004718500000000, -0.0013150000000000,  0.0007785800000000 ]  - [  -0.0050706900000000, -0.0002988300000000,  0.0047559500000000 ]  - [  -0.0010594900000000, -0.0009670400000000, -0.0008574900000000 ]  - [  -0.0012794000000000, -0.0018315400000000, -0.0008615300000000 ]  - [  -0.0005826100000000, -0.0015930100000000, -0.0008902500000000 ]  - [  -0.0202776800000000,  0.0019825600000000,  0.0094707400000000 ]  - [  -0.0029292700000000, -0.0017727200000000, -0.0003970300000000 ]  - [  -0.0031847600000000, -0.0017852800000000, -0.0001935000000000 ]  - [  -0.0027240500000000, -0.0018169500000000, -0.0004543700000000 ]  - [   0.0021765400000000, -0.0021930300000000, -0.0000843000000000 ]  - [   0.0019445900000000, -0.0001015200000000, -0.0012667600000000 ]  - [   0.0016231900000000, -0.0022238700000000,  0.0013668300000000 ]  - [   0.0007698300000000, -0.0014629400000000,  0.0011452500000000 ]  - [  -0.0035827000000000, -0.0012082100000000, -0.0014325400000000 ]  - [   0.0017314100000000,  0.0008537100000000, -0.0000970600000000 ]  - [   0.0016205800000000,  0.0014225700000000,  0.0002102900000000 ]  - [   0.0017332900000000,  0.0014025700000000,  0.0002498500000000 ]  - [  -0.0102967200000000,  0.0042243600000000, -0.0013493800000000 ]  - [  -0.0037982800000000,  0.0025763700000000, -0.0001679200000000 ]  - [  -0.0027656900000000,  0.0015039300000000, -0.0012011800000000 ]  - [  -0.0026794800000000,  0.0019631800000000, -0.0006739300000000 ]  - [   0.0006559600000000,  0.0010882700000000, -0.0010273200000000 ]  - [  -0.0000269600000000,  0.0015202500000000, -0.0010339100000000 ]  - [  -0.0000985500000000,  0.0011362200000000, -0.0005945200000000 ]  - [  -0.0002397900000000,  0.0013221000000000, -0.0007654400000000 ]  - [   0.0001562500000000,  0.0027238700000000,  0.0018065300000000 ]  - [   0.0000113300000000,  0.0007842400000000,  0.0012290600000000 ]  - [   0.0006695100000000,  0.0019227100000000,  0.0003974300000000 ]  - [   0.0002750200000000,  0.0003835300000000, -0.0001214100000000 ]  - [   0.0008863600000000, -0.0050933400000000,  0.0001392900000000 ]  - [   0.0002972300000000, -0.0003211100000000,  0.0006932500000000 ]  - [   0.0003070200000000, -0.0017061800000000,  0.0009894600000000 ]  - [   0.0004391000000000, -0.0011853500000000,  0.0007344600000000 ]  - [   0.0002609900000000, -0.0013779800000000, -0.0007906800000000 ]  - [   0.0001292700000000, -0.0010193600000000, -0.0007696900000000 ]  - [   0.0000029700000000, -0.0013883000000000, -0.0008935500000000 ]  - [  -0.0001444500000000, -0.0012356900000000, -0.0008781900000000 ]  - [  -0.0008688100000000, -0.0010452800000000, -0.0001743400000000 ]  - [  -0.0001925800000000, -0.0016123900000000,  0.0000505900000000 ]  - [  -0.0014220500000000, -0.0013299600000000, -0.0002663500000000 ]  - [  -0.0014644100000000, -0.0014659800000000, -0.0003363300000000 ]  - [   0.0032391400000000, -0.0020455200000000,  0.0011226000000000 ]  - [   0.0026296500000000, -0.0019872700000000,  0.0007521600000000 ]  - [   0.0033442000000000, -0.0015178200000000, -0.0002053000000000 ]  - [   0.0026174400000000, -0.0017097000000000,  0.0003371700000000 ]  - [   0.0041630600000000,  0.0024747200000000,  0.0005375400000000 ]  - [   0.0028372300000000,  0.0014216900000000,  0.0002142200000000 ]  - [   0.0026789700000000,  0.0019434700000000,  0.0005813700000000 ]  - [   0.0024984000000000,  0.0017038700000000,  0.0004389500000000 ]  - [   0.0003224900000000,  0.0009864000000000, -0.0004823800000000 ]  - [  -0.0013532200000000,  0.0015373600000000, -0.0004141700000000 ]  - [  -0.0011740300000000,  0.0012007200000000, -0.0001406500000000 ]  - [  -0.0016004600000000,  0.0014954000000000, -0.0002601100000000 ]  - [   0.0779571400000000,  0.0148999900000000, -0.0048621300000000 ]  - [   0.0032439100000000,  0.0042682200000000,  0.0038582400000000 ]  - [   0.0030066100000000,  0.0047295900000000,  0.0048305500000000 ]  - [   0.0019650600000000,  0.0042848500000000,  0.0041633500000000 ]  - [  -0.0040162400000000,  0.0070868200000000, -0.0055745000000000 ]  - [  -0.0040327500000000, -0.0005800000000000, -0.0089154400000000 ]  - [  -0.0015109100000000,  0.0053156000000000, -0.0028117300000000 ]  - [  -0.0015106400000000,  0.0038877600000000, -0.0024068800000000 ]  - [  -0.0116898800000000, -0.0057224300000000,  0.0004879200000000 ]  - [  -0.0012621600000000, -0.0044822500000000, -0.0031864800000000 ]  - [  -0.0005298500000000, -0.0044670100000000, -0.0047578400000000 ]  - [  -0.0007423700000000, -0.0042347500000000, -0.0042638600000000 ]  - [   0.0094038200000000, -0.0026689400000000,  0.0067615100000000 ]  - [   0.0029376600000000, -0.0050408200000000,  0.0040613800000000 ]  - [   0.0093881100000000, -0.0058008100000000,  0.0054518500000000 ]  - [   0.0029316900000000, -0.0024070900000000,  0.0045429600000000 ]  - [  -0.0022909600000000,  0.0044882800000000,  0.0036061200000000 ]  - [  -0.0022916900000000,  0.0040779100000000,  0.0039658200000000 ]  - [  -0.0002847400000000,  0.0043970900000000,  0.0033407600000000 ]  - [  -0.0002850500000000,  0.0043531400000000,  0.0031622500000000 ]  - [  -0.0070963700000000,  0.0044396500000000,  0.0043712700000000 ]  - [  -0.0014637600000000,  0.0040912400000000, -0.0031707900000000 ]  - [  -0.0028691000000000,  0.0056328000000000, -0.0072643500000000 ]  - [  -0.0009645700000000,  0.0039981600000000, -0.0041500700000000 ]  - [  -0.0059195800000000, -0.0104713100000000, -0.0076353600000000 ]  - [   0.0002525100000000,  0.0020154000000000, -0.0067946000000000 ]  - [  -0.0017055400000000, -0.0050676700000000, -0.0031839800000000 ]  - [  -0.0014910700000000, -0.0040064200000000, -0.0030970900000000 ]  - [  -0.0018916600000000, -0.0043688100000000,  0.0035417900000000 ]  - [  -0.0004539000000000, -0.0045239600000000,  0.0035715700000000 ]  - [  -0.0018911700000000, -0.0040746200000000,  0.0028801800000000 ]  - [  -0.0004536600000000, -0.0045656900000000,  0.0033525300000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000077900000000, -0.0141190100000000, -0.0001306200000000 ]  - [  -0.0002678800000000, -0.0135903700000000,  0.0001913900000000 ]  - [   0.0004264200000000, -0.0142492800000000,  0.0006172700000000 ]  - [  -0.0003381200000000, -0.0133393100000000, -0.0005251100000000 ]  - [  -0.0016143000000000,  0.0139313200000000, -0.0002450800000000 ]  - [   0.0004030300000000,  0.0131168300000000, -0.0003353600000000 ]  - [  -0.0001016300000000,  0.0140309100000000,  0.0000194900000000 ]  - [   0.0000479900000000,  0.0136500000000000,  0.0000990600000000 ]  - [   0.0037893300000000, -0.0086324100000000,  0.0049216100000000 ]  - [   0.0007546800000000, -0.0166671000000000,  0.0009666400000000 ]  - [  -0.0001951200000000, -0.0123220500000000,  0.0007300500000000 ]  - [   0.0003659800000000, -0.0144749000000000, -0.0003280900000000 ]  - [   0.0115289100000000,  0.0324750500000000, -0.0073218100000000 ]  - [   0.0006552800000000,  0.0112186000000000, -0.0011369600000000 ]  - [  -0.0000875600000000,  0.0141146300000000, -0.0011155400000000 ]  - [   0.0007405200000000,  0.0129917000000000,  0.0012940900000000 ]  - [  -0.0007694000000000, -0.0021747500000000, -0.0014305100000000 ]  - [  -0.0006994800000000,  0.0223911500000000, -0.0053673400000000 ]  - [  -0.0007800700000000,  0.0004430800000000,  0.0002492900000000 ]  - [  -0.0001976300000000,  0.0017866000000000, -0.0016050100000000 ]  - [   0.0007721900000000,  0.0019931500000000,  0.0011910800000000 ]  - [   0.0003291100000000,  0.0010199300000000,  0.0007357900000000 ]  - [   0.0011236100000000,  0.0026187200000000,  0.0014345800000000 ]  - [   0.0003500900000000,  0.0005122100000000,  0.0004087600000000 ]  - [   0.0011709700000000, -0.0008839800000000,  0.0003754500000000 ]  - [   0.0001094000000000, -0.0021023000000000,  0.0011783000000000 ]  - [   0.0005103000000000, -0.0012175200000000,  0.0007820700000000 ]  - [   0.0003334900000000, -0.0016758600000000,  0.0010461900000000 ]  - [  -0.0011362300000000,  0.0056532200000000,  0.0100432800000000 ]  - [  -0.0006963300000000, -0.0033264800000000, -0.0013108000000000 ]  - [  -0.0001952600000000,  0.0004980300000000,  0.0000707400000000 ]  - [  -0.0005434500000000, -0.0026032400000000, -0.0014241300000000 ]  - [  -0.0061858000000000,  0.0048638900000000,  0.0058601300000000 ]  - [  -0.0030254200000000, -0.0031360100000000, -0.0008369100000000 ]  - [  -0.0018459000000000, -0.0006391700000000,  0.0003814900000000 ]  - [  -0.0024017900000000, -0.0022111000000000, -0.0007340000000000 ]  - [   0.0027564600000000, -0.0020486700000000,  0.0003657800000000 ]  - [   0.0008260500000000, -0.0011514100000000,  0.0010204300000000 ]  - [   0.0029953000000000, -0.0028760100000000,  0.0014180700000000 ]  - [   0.0014642500000000, -0.0013519700000000, -0.0004895700000000 ]  - [   0.0033354800000000,  0.0051539000000000,  0.0025235300000000 ]  - [   0.0021994100000000,  0.0004581500000000, -0.0002601000000000 ]  - [   0.0022295500000000,  0.0019950900000000,  0.0005785100000000 ]  - [   0.0020031400000000,  0.0013162800000000,  0.0003251500000000 ]  - [  -0.0052169000000000,  0.0058130200000000, -0.0022703300000000 ]  - [  -0.0019537600000000,  0.0005711200000000, -0.0006222900000000 ]  - [  -0.0016876300000000,  0.0017485600000000, -0.0008549700000000 ]  - [  -0.0028781900000000,  0.0011710300000000,  0.0004453600000000 ]  - [  -0.0006760100000000,  0.0019501900000000, -0.0010357500000000 ]  - [  -0.0003885000000000,  0.0009139100000000, -0.0006900700000000 ]  - [  -0.0004171700000000,  0.0017007500000000, -0.0009507600000000 ]  - [  -0.0004160500000000,  0.0011299100000000, -0.0007730400000000 ]  - [   0.0003595000000000,  0.0000847200000000, -0.0002706400000000 ]  - [   0.0015536300000000,  0.0028199300000000,  0.0028288400000000 ]  - [  -0.0001278700000000,  0.0004230000000000,  0.0011332400000000 ]  - [   0.0013977900000000,  0.0017879800000000,  0.0004576900000000 ]  - [   0.0024605300000000,  0.0014072700000000, -0.0012190400000000 ]  - [   0.0002885300000000, -0.0032635400000000,  0.0015198800000000 ]  - [   0.0005987400000000, -0.0004962700000000,  0.0004371400000000 ]  - [   0.0003634100000000, -0.0020746800000000,  0.0011418700000000 ]  - [  -0.0003607800000000, -0.0010706100000000, -0.0006689600000000 ]  - [  -0.0005516100000000, -0.0018089500000000, -0.0010867600000000 ]  - [  -0.0004922800000000, -0.0012909300000000, -0.0008206100000000 ]  - [  -0.0004613100000000, -0.0015382200000000, -0.0008529900000000 ]  - [  -0.0027078000000000, -0.0021072800000000, -0.0006165300000000 ]  - [  -0.0012962400000000, -0.0012930600000000,  0.0000034100000000 ]  - [  -0.0021844000000000, -0.0017215200000000, -0.0003757400000000 ]  - [  -0.0020333900000000, -0.0015204500000000, -0.0004036500000000 ]  - [   0.0007209200000000, -0.0008210200000000,  0.0000023200000000 ]  - [   0.0026372100000000, -0.0022399400000000,  0.0008280000000000 ]  - [   0.0018157300000000, -0.0014179800000000,  0.0002718900000000 ]  - [   0.0022832300000000, -0.0018112000000000,  0.0004006200000000 ]  - [   0.0002279100000000,  0.0017611200000000,  0.0003215100000000 ]  - [   0.0025540300000000,  0.0012346900000000, -0.0001626700000000 ]  - [   0.0018388300000000,  0.0014515500000000,  0.0002451900000000 ]  - [   0.0022794900000000,  0.0016210100000000,  0.0004164600000000 ]  - [  -0.0023835400000000,  0.0020815200000000, -0.0008122700000000 ]  - [  -0.0019439200000000,  0.0012651500000000, -0.0001745500000000 ]  - [  -0.0023509700000000,  0.0020470600000000, -0.0004088300000000 ]  - [  -0.0019967700000000,  0.0013287900000000, -0.0002717300000000 ]  - [  -0.0100019100000000, -0.0708808800000000,  0.0001111200000000 ]  - [   0.0010478500000000,  0.0117060900000000,  0.0036609500000000 ]  - [   0.0005771100000000,  0.0026212000000000,  0.0034618200000000 ]  - [   0.0010256900000000,  0.0061993700000000,  0.0036563100000000 ]  - [  -0.0058679800000000,  0.0069748400000000, -0.0047184100000000 ]  - [   0.0017687300000000,  0.0069816300000000, -0.0010605400000000 ]  - [  -0.0014172200000000,  0.0045062800000000, -0.0034698400000000 ]  - [   0.0000012000000000,  0.0045104700000000, -0.0044775900000000 ]  - [   0.0004248200000000, -0.0089791200000000, -0.0074414100000000 ]  - [  -0.0008309800000000, -0.0025843500000000, -0.0032623300000000 ]  - [  -0.0008430100000000, -0.0057870700000000, -0.0036736200000000 ]  - [  -0.0010742500000000, -0.0031310100000000, -0.0040324400000000 ]  - [  -0.0004924700000000, -0.0020487400000000,  0.0089494000000000 ]  - [   0.0028725900000000, -0.0002328800000000, -0.0061336900000000 ]  - [   0.0026374000000000, -0.0020243600000000, -0.0037030900000000 ]  - [   0.0002633800000000, -0.0002115800000000,  0.0074440600000000 ]  - [   0.0012290800000000,  0.0048315800000000,  0.0038908400000000 ]  - [   0.0008254800000000,  0.0048345500000000,  0.0036304600000000 ]  - [   0.0009553100000000,  0.0044178600000000,  0.0035301900000000 ]  - [   0.0009135800000000,  0.0044194400000000,  0.0038487300000000 ]  - [  -0.0008776200000000, -0.0041827900000000, -0.0031331300000000 ]  - [  -0.0012135200000000,  0.0070230300000000, -0.0035772300000000 ]  - [   0.0003134400000000,  0.0009848900000000, -0.0015761000000000 ]  - [  -0.0013093800000000,  0.0064692900000000, -0.0044545900000000 ]  - [   0.0052134400000000, -0.0008153800000000,  0.0000810500000000 ]  - [  -0.0073056500000000,  0.0002269500000000, -0.0046127400000000 ]  - [  -0.0002405400000000, -0.0040804900000000, -0.0039597700000000 ]  - [  -0.0013014200000000, -0.0047232500000000, -0.0035748600000000 ]  - [   0.0012344500000000, -0.0056474300000000,  0.0034877700000000 ]  - [   0.0007453100000000, -0.0035029200000000,  0.0037266700000000 ]  - [   0.0009395700000000, -0.0056492300000000,  0.0044098900000000 ]  - [   0.0007857500000000, -0.0035021700000000,  0.0036295500000000 ]- atom:   81  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000080400000000, -0.0134987500000000,  0.0001301400000000 ]  - [   0.0002683600000000, -0.0140337100000000, -0.0001892500000000 ]  - [  -0.0004271600000000, -0.0133693600000000, -0.0006189400000000 ]  - [   0.0003387200000000, -0.0142811700000000,  0.0005244400000000 ]  - [   0.0016128300000000,  0.0136888200000000,  0.0002414200000000 ]  - [  -0.0004032300000000,  0.0145065300000000,  0.0003371800000000 ]  - [   0.0001022600000000,  0.0135872800000000, -0.0000183700000000 ]  - [  -0.0000485200000000,  0.0139714000000000, -0.0000991500000000 ]  - [  -0.0037398500000000, -0.0189827700000000, -0.0048310900000000 ]  - [  -0.0007604500000000, -0.0109543100000000, -0.0009716000000000 ]  - [   0.0001943300000000, -0.0152998700000000, -0.0007249700000000 ]  - [  -0.0003672800000000, -0.0131448200000000,  0.0003319500000000 ]  - [  -0.0110259000000000, -0.0044612100000000,  0.0069859900000000 ]  - [  -0.0006667200000000,  0.0164129200000000,  0.0011535800000000 ]  - [   0.0000854000000000,  0.0135054800000000,  0.0011232800000000 ]  - [  -0.0007461200000000,  0.0146315700000000, -0.0013038900000000 ]  - [  -0.0001240800000000,  0.0049167400000000, -0.0003019100000000 ]  - [  -0.0001258000000000, -0.0207608500000000,  0.0042206900000000 ]  - [  -0.0001048600000000,  0.0023567300000000, -0.0019529000000000 ]  - [  -0.0006860800000000,  0.0010085500000000, -0.0000977200000000 ]  - [   0.0001053200000000,  0.0008034400000000,  0.0005162700000000 ]  - [   0.0005559700000000,  0.0017793000000000,  0.0009685200000000 ]  - [  -0.0002356100000000,  0.0001791600000000,  0.0002722400000000 ]  - [   0.0005355200000000,  0.0022864000000000,  0.0012965300000000 ]  - [  -0.0002894500000000, -0.0019112700000000,  0.0013250500000000 ]  - [   0.0007762400000000, -0.0006980100000000,  0.0005269300000000 ]  - [   0.0003731200000000, -0.0015813700000000,  0.0009229900000000 ]  - [   0.0005511300000000, -0.0011221100000000,  0.0006572900000000 ]  - [   0.0002866100000000, -0.0084398600000000, -0.0119233000000000 ]  - [  -0.0001891900000000,  0.0005330300000000, -0.0003863100000000 ]  - [  -0.0006879100000000, -0.0033067100000000, -0.0017858000000000 ]  - [  -0.0003392900000000, -0.0001874300000000, -0.0002808000000000 ]  - [   0.0019269900000000, -0.0080495800000000, -0.0065046700000000 ]  - [  -0.0011404200000000, -0.0000616100000000,  0.0001070300000000 ]  - [  -0.0023294800000000, -0.0025668700000000, -0.0011089200000000 ]  - [  -0.0017717200000000, -0.0009920800000000,  0.0000070500000000 ]  - [   0.0014158900000000, -0.0011476300000000,  0.0003601300000000 ]  - [   0.0033630700000000, -0.0020602400000000, -0.0002956300000000 ]  - [   0.0011784600000000, -0.0003226600000000, -0.0006969100000000 ]  - [   0.0027141800000000, -0.0018553300000000,  0.0012217500000000 ]  - [   0.0007070200000000, -0.0020242300000000, -0.0018442600000000 ]  - [   0.0019831000000000,  0.0027524600000000,  0.0009928200000000 ]  - [   0.0019456100000000,  0.0012085800000000,  0.0001498500000000 ]  - [   0.0021735100000000,  0.0018911400000000,  0.0004044200000000 ]  - [   0.0008062300000000, -0.0023513900000000,  0.0012835300000000 ]  - [  -0.0022163800000000,  0.0026339800000000, -0.0000965900000000 ]  - [  -0.0024882400000000,  0.0014569400000000,  0.0001317700000000 ]  - [  -0.0012913300000000,  0.0020360000000000, -0.0011785800000000 ]  - [  -0.0002082900000000,  0.0008478700000000, -0.0006686400000000 ]  - [  -0.0004957700000000,  0.0018851100000000, -0.0010143500000000 ]  - [  -0.0004662200000000,  0.0010970300000000, -0.0007531800000000 ]  - [  -0.0004681500000000,  0.0016689700000000, -0.0009312200000000 ]  - [   0.0005243500000000,  0.0027238600000000,  0.0019740000000000 ]  - [  -0.0006833200000000, -0.0000344300000000, -0.0011437800000000 ]  - [   0.0010163400000000,  0.0023867800000000,  0.0005649900000000 ]  - [  -0.0005156100000000,  0.0010081600000000,  0.0012476900000000 ]  - [  -0.0015373500000000, -0.0042701300000000,  0.0029341900000000 ]  - [   0.0005891900000000,  0.0004712100000000,  0.0001853400000000 ]  - [   0.0002833600000000, -0.0023067400000000,  0.0012706400000000 ]  - [   0.0005200200000000, -0.0007202500000000,  0.0005603400000000 ]  - [  -0.0005239300000000, -0.0017282700000000, -0.0010367600000000 ]  - [  -0.0003328900000000, -0.0009897000000000, -0.0006172600000000 ]  - [  -0.0003921300000000, -0.0015063200000000, -0.0008830400000000 ]  - [  -0.0004227600000000, -0.0012603400000000, -0.0008514600000000 ]  - [  -0.0014650100000000, -0.0010954400000000, -0.0001112600000000 ]  - [  -0.0028801800000000, -0.0019151600000000, -0.0007312700000000 ]  - [  -0.0019904300000000, -0.0014829100000000, -0.0003528000000000 ]  - [  -0.0021428800000000, -0.0016859300000000, -0.0003256800000000 ]  - [   0.0034580100000000, -0.0023845300000000,  0.0007268500000000 ]  - [   0.0015331900000000, -0.0009617900000000, -0.0001022300000000 ]  - [   0.0023586500000000, -0.0017877500000000,  0.0004573900000000 ]  - [   0.0018900300000000, -0.0013939000000000,  0.0003288100000000 ]  - [   0.0039450800000000,  0.0014407200000000,  0.0004082900000000 ]  - [   0.0016152100000000,  0.0019693900000000,  0.0008936700000000 ]  - [   0.0023376300000000,  0.0017551300000000,  0.0004850300000000 ]  - [   0.0018939300000000,  0.0015836100000000,  0.0003115500000000 ]  - [  -0.0017921800000000,  0.0011239200000000,  0.0000806000000000 ]  - [  -0.0022333600000000,  0.0019418300000000, -0.0005548900000000 ]  - [  -0.0018233500000000,  0.0011554000000000, -0.0003198000000000 ]  - [  -0.0021803900000000,  0.0018785700000000, -0.0004577800000000 ]  - [   0.0114661500000000,  0.0804076100000000,  0.0073276800000000 ]  - [   0.0007247000000000, -0.0028572200000000,  0.0037358200000000 ]  - [   0.0011966200000000,  0.0062315000000000,  0.0039525300000000 ]  - [   0.0007452200000000,  0.0026390800000000,  0.0037592900000000 ]  - [   0.0041061600000000,  0.0018653500000000, -0.0026986100000000 ]  - [  -0.0035518900000000,  0.0018721500000000, -0.0063505900000000 ]  - [  -0.0003522000000000,  0.0043322300000000, -0.0039482700000000 ]  - [  -0.0017818000000000,  0.0043363200000000, -0.0029347500000000 ]  - [  -0.0021741400000000,  0.0001617900000000,  0.0000349300000000 ]  - [  -0.0009510500000000, -0.0062681200000000, -0.0041513400000000 ]  - [  -0.0009316800000000, -0.0030556900000000, -0.0037428500000000 ]  - [  -0.0006994600000000, -0.0057187000000000, -0.0033822000000000 ]  - [   0.0022581500000000, -0.0068448500000000, -0.0015090000000000 ]  - [  -0.0011091500000000, -0.0086485900000000,  0.0136173900000000 ]  - [  -0.0008618800000000, -0.0068207400000000,  0.0111219900000000 ]  - [   0.0015132000000000, -0.0086270500000000, -0.0000568800000000 ]  - [   0.0005467600000000,  0.0040108000000000,  0.0035251600000000 ]  - [   0.0009498300000000,  0.0040138200000000,  0.0037849700000000 ]  - [   0.0008181000000000,  0.0044256400000000,  0.0038845900000000 ]  - [   0.0008613200000000,  0.0044272000000000,  0.0035663600000000 ]  - [  -0.0009096200000000,  0.0130364600000000, -0.0042684800000000 ]  - [  -0.0005498200000000,  0.0018093300000000, -0.0038456700000000 ]  - [  -0.0020954100000000,  0.0078890300000000, -0.0058579900000000 ]  - [  -0.0004591700000000,  0.0023663600000000, -0.0029541800000000 ]  - [  -0.0069445600000000, -0.0080369300000000, -0.0074719900000000 ]  - [   0.0055989600000000, -0.0090791200000000, -0.0028065500000000 ]  - [  -0.0015339000000000, -0.0047666400000000, -0.0034559700000000 ]  - [  -0.0004692900000000, -0.0041168000000000, -0.0038382600000000 ]  - [   0.0005396700000000, -0.0031932500000000,  0.0039259300000000 ]  - [   0.0010306400000000, -0.0053459900000000,  0.0036887800000000 ]  - [   0.0008332800000000, -0.0031949500000000,  0.0030075900000000 ]  - [   0.0009887100000000, -0.0053452400000000,  0.0037853400000000 ]- atom:   81  displacement:    [  -0.0013745079689937,  0.0000000000000000,  0.0099050859583939 ]  forces:  - [   0.0003472600000000, -0.0139267900000000,  0.0004570400000000 ]  - [   0.0006414800000000, -0.0133180400000000,  0.0001569800000000 ]  - [  -0.0004585100000000, -0.0136400900000000, -0.0007883500000000 ]  - [  -0.0004761500000000, -0.0139517500000000, -0.0003820100000000 ]  - [   0.0000973200000000,  0.0141231100000000,  0.0010670800000000 ]  - [  -0.0002009300000000,  0.0141228900000000,  0.0008047900000000 ]  - [  -0.0001793700000000,  0.0137879700000000, -0.0008962100000000 ]  - [  -0.0000119100000000,  0.0136195100000000, -0.0005938900000000 ]  - [   0.0081778500000000, -0.0093458100000000,  0.0214080200000000 ]  - [  -0.0008130300000000, -0.0128142300000000,  0.0002120300000000 ]  - [   0.0009912300000000, -0.0129343800000000, -0.0034505000000000 ]  - [   0.0009460000000000, -0.0146217900000000, -0.0012206300000000 ]  - [  -0.0085793300000000,  0.0040009300000000,  0.0139963300000000 ]  - [   0.0002645200000000,  0.0130334800000000,  0.0025191700000000 ]  - [  -0.0002413700000000,  0.0137683600000000, -0.0034995800000000 ]  - [  -0.0002718500000000,  0.0139123500000000, -0.0017445400000000 ]  - [  -0.0010614900000000, -0.0008860600000000,  0.0010876300000000 ]  - [  -0.0013373700000000, -0.0049065400000000,  0.0024393500000000 ]  - [  -0.0000732900000000,  0.0022130600000000, -0.0022653500000000 ]  - [   0.0000224200000000,  0.0017530300000000, -0.0025365300000000 ]  - [   0.0014818400000000,  0.0014565700000000,  0.0005408200000000 ]  - [   0.0005907400000000,  0.0014580400000000,  0.0009102600000000 ]  - [  -0.0001930200000000,  0.0009409800000000,  0.0004019900000000 ]  - [   0.0003068400000000,  0.0013845000000000,  0.0008232100000000 ]  - [   0.0006514000000000, -0.0024634800000000,  0.0024331400000000 ]  - [   0.0002898300000000, -0.0017644800000000,  0.0013085200000000 ]  - [   0.0004655800000000, -0.0010523200000000,  0.0002282900000000 ]  - [   0.0004706700000000, -0.0011281800000000,  0.0003781300000000 ]  - [  -0.0041840600000000,  0.0055871400000000,  0.0210837500000000 ]  - [  -0.0003818700000000, -0.0001743000000000, -0.0001505400000000 ]  - [   0.0000242500000000, -0.0011796500000000, -0.0026142300000000 ]  - [  -0.0004782100000000, -0.0029982400000000, -0.0020281500000000 ]  - [  -0.0138189700000000,  0.0054093600000000,  0.0136767100000000 ]  - [  -0.0016926800000000, -0.0009118200000000,  0.0002087000000000 ]  - [  -0.0022218600000000, -0.0021225500000000, -0.0021345200000000 ]  - [  -0.0024696700000000, -0.0022625500000000, -0.0012959500000000 ]  - [   0.0035586000000000, -0.0028451700000000,  0.0004516900000000 ]  - [   0.0030401100000000, -0.0008600700000000, -0.0002645900000000 ]  - [   0.0012538500000000, -0.0006744200000000, -0.0004545400000000 ]  - [   0.0004205000000000, -0.0017325800000000, -0.0000644200000000 ]  - [   0.0019159400000000,  0.0033184900000000,  0.0055402700000000 ]  - [   0.0019856900000000,  0.0024035700000000,  0.0013781700000000 ]  - [   0.0021989900000000,  0.0013550600000000, -0.0004108000000000 ]  - [   0.0021190500000000,  0.0013154200000000, -0.0002307500000000 ]  - [  -0.0018234800000000,  0.0005867300000000,  0.0029443600000000 ]  - [  -0.0024335400000000,  0.0009326900000000,  0.0006513400000000 ]  - [  -0.0013786300000000,  0.0018867100000000, -0.0018646000000000 ]  - [  -0.0018269800000000,  0.0019748500000000, -0.0010617100000000 ]  - [  -0.0003551200000000,  0.0011035300000000, -0.0004193800000000 ]  - [  -0.0004698900000000,  0.0012772800000000, -0.0006073700000000 ]  - [  -0.0005125400000000,  0.0016028500000000, -0.0012420700000000 ]  - [  -0.0004618100000000,  0.0015643400000000, -0.0010729200000000 ]  - [  -0.0003936200000000, -0.0003615700000000,  0.0006042400000000 ]  - [  -0.0002621500000000,  0.0023712200000000,  0.0009308700000000 ]  - [   0.0009261000000000,  0.0017249400000000,  0.0004960800000000 ]  - [   0.0019723300000000, -0.0002908400000000, -0.0008958400000000 ]  - [   0.0008718400000000, -0.0036505100000000,  0.0051155100000000 ]  - [   0.0004879600000000, -0.0019466900000000,  0.0019003300000000 ]  - [   0.0008522600000000, -0.0004254700000000, -0.0008864100000000 ]  - [   0.0005529800000000, -0.0010715000000000,  0.0001152700000000 ]  - [  -0.0004426900000000, -0.0012482800000000, -0.0004942000000000 ]  - [  -0.0004605800000000, -0.0013031400000000, -0.0006685100000000 ]  - [  -0.0004447000000000, -0.0017403900000000, -0.0012675900000000 ]  - [  -0.0003873500000000, -0.0014316000000000, -0.0010555000000000 ]  - [  -0.0022689500000000, -0.0015748500000000, -0.0001803700000000 ]  - [  -0.0017706000000000, -0.0015327200000000,  0.0001628100000000 ]  - [  -0.0020202700000000, -0.0016780500000000, -0.0006026400000000 ]  - [  -0.0019885700000000, -0.0017221700000000, -0.0007482600000000 ]  - [  -0.0002992000000000, -0.0013554500000000,  0.0004509200000000 ]  - [   0.0018299700000000, -0.0015790200000000,  0.0004795300000000 ]  - [   0.0028434200000000, -0.0012953200000000, -0.0003651000000000 ]  - [   0.0023684500000000, -0.0016899500000000,  0.0002937500000000 ]  - [   0.0034774000000000,  0.0026731500000000,  0.0017573800000000 ]  - [   0.0020975100000000,  0.0017663800000000,  0.0008460600000000 ]  - [   0.0016957300000000,  0.0009208900000000, -0.0004982300000000 ]  - [   0.0020609000000000,  0.0013950100000000, -0.0001026200000000 ]  - [  -0.0013273500000000,  0.0011447100000000,  0.0000146300000000 ]  - [  -0.0019538800000000,  0.0015711600000000, -0.0002492400000000 ]  - [  -0.0028642700000000,  0.0020916400000000, -0.0007353800000000 ]  - [  -0.0023560500000000,  0.0016640400000000, -0.0005365400000000 ]  - [   0.0197271500000000,  0.0021642600000000, -0.0899653900000000 ]  - [   0.0010657200000000,  0.0043675800000000,  0.0002877800000000 ]  - [   0.0000661600000000,  0.0042235700000000,  0.0091389900000000 ]  - [   0.0005828700000000,  0.0043524600000000,  0.0062238800000000 ]  - [   0.0038303500000000,  0.0021673600000000, -0.0038735700000000 ]  - [   0.0005286900000000,  0.0047526900000000, -0.0043077200000000 ]  - [  -0.0022585100000000,  0.0053089700000000, -0.0023992300000000 ]  - [  -0.0018602700000000,  0.0041119000000000, -0.0023442400000000 ]  - [  -0.0064958900000000, -0.0083152000000000, -0.0083382500000000 ]  - [  -0.0014539900000000, -0.0039873000000000, -0.0054207700000000 ]  - [   0.0001935500000000, -0.0043943800000000, -0.0015041500000000 ]  - [  -0.0003181100000000, -0.0047192400000000, -0.0024824400000000 ]  - [   0.0003173300000000,  0.0031738500000000,  0.0105037500000000 ]  - [   0.0003502200000000, -0.0082297000000000,  0.0076419400000000 ]  - [  -0.0009662400000000, -0.0097630800000000,  0.0103029900000000 ]  - [   0.0007928200000000,  0.0056031000000000,  0.0077030400000000 ]  - [   0.0001963100000000,  0.0043542500000000,  0.0025710200000000 ]  - [   0.0005529500000000,  0.0045598100000000,  0.0026195800000000 ]  - [   0.0012657300000000,  0.0045590900000000,  0.0048642300000000 ]  - [   0.0010898100000000,  0.0042376900000000,  0.0048394600000000 ]  - [  -0.0097408500000000,  0.0038669000000000, -0.0020917700000000 ]  - [  -0.0014966700000000,  0.0042427400000000, -0.0044198200000000 ]  - [   0.0023709400000000,  0.0024691200000000,  0.0035846500000000 ]  - [  -0.0004611800000000,  0.0051089900000000, -0.0024390300000000 ]  - [   0.0023284600000000, -0.0015186500000000, -0.0148100300000000 ]  - [   0.0023380200000000, -0.0044146500000000, -0.0068507100000000 ]  - [  -0.0015149500000000, -0.0047573900000000, -0.0008138500000000 ]  - [  -0.0015725800000000, -0.0042369800000000, -0.0008495100000000 ]  - [   0.0013221000000000, -0.0051127100000000,  0.0037894900000000 ]  - [   0.0010534700000000, -0.0043579100000000,  0.0037325800000000 ]  - [   0.0006749500000000, -0.0041602700000000,  0.0037078100000000 ]  - [   0.0008399700000000, -0.0044599700000000,  0.0037047400000000 ]- atom:   81  displacement:    [   0.0013745079689937,  0.0000000000000000, -0.0099050859583939 ]  forces:  - [  -0.0003473100000000, -0.0136944500000000, -0.0004555500000000 ]  - [  -0.0006409400000000, -0.0143029100000000, -0.0001525800000000 ]  - [   0.0004577400000000, -0.0139804700000000,  0.0007860100000000 ]  - [   0.0004767100000000, -0.0136664900000000,  0.0003741700000000 ]  - [  -0.0001187000000000,  0.0134968100000000, -0.0010707200000000 ]  - [   0.0001996900000000,  0.0134973800000000, -0.0008038900000000 ]  - [   0.0001807600000000,  0.0138326800000000,  0.0008976500000000 ]  - [   0.0000121300000000,  0.0140001900000000,  0.0005940500000000 ]  - [  -0.0076690900000000, -0.0179494300000000, -0.0206335700000000 ]  - [   0.0008134500000000, -0.0148145200000000, -0.0002053900000000 ]  - [  -0.0010033300000000, -0.0146997500000000,  0.0034559400000000 ]  - [  -0.0009522600000000, -0.0129929400000000,  0.0012234600000000 ]  - [   0.0088105300000000,  0.0239011700000000, -0.0141170000000000 ]  - [  -0.0002706500000000,  0.0145950300000000, -0.0025295600000000 ]  - [   0.0002358100000000,  0.0138504000000000,  0.0034969600000000 ]  - [   0.0002728900000000,  0.0137082500000000,  0.0017498700000000 ]  - [   0.0001810000000000,  0.0036688000000000, -0.0027849500000000 ]  - [   0.0004637500000000,  0.0075737800000000, -0.0041209200000000 ]  - [  -0.0008097100000000,  0.0005841600000000,  0.0005592200000000 ]  - [  -0.0009072400000000,  0.0010474700000000,  0.0008343500000000 ]  - [  -0.0005992800000000,  0.0013440600000000,  0.0011681400000000 ]  - [   0.0002932000000000,  0.0013403000000000,  0.0007954300000000 ]  - [   0.0010790900000000,  0.0018575100000000,  0.0013003800000000 ]  - [   0.0005784000000000,  0.0014079200000000,  0.0008776800000000 ]  - [   0.0002393300000000, -0.0003349800000000, -0.0007257700000000 ]  - [   0.0005919700000000, -0.0010405500000000,  0.0003988400000000 ]  - [   0.0004197000000000, -0.0017469700000000,  0.0014763400000000 ]  - [   0.0004138400000000, -0.0016700100000000,  0.0013264800000000 ]  - [   0.0035849900000000, -0.0089843400000000, -0.0238794300000000 ]  - [  -0.0005011400000000, -0.0026264000000000, -0.0015555300000000 ]  - [  -0.0009088500000000, -0.0016123100000000,  0.0009072400000000 ]  - [  -0.0004074700000000,  0.0001934200000000,  0.0003212300000000 ]  - [   0.0090393500000000, -0.0083127300000000, -0.0139208300000000 ]  - [  -0.0024835300000000, -0.0022954000000000, -0.0009375500000000 ]  - [  -0.0019498900000000, -0.0010846200000000,  0.0014108800000000 ]  - [  -0.0017019700000000, -0.0009394200000000,  0.0005691700000000 ]  - [   0.0006209800000000, -0.0003632200000000,  0.0002785200000000 ]  - [   0.0011375800000000, -0.0023430800000000,  0.0009952700000000 ]  - [   0.0029222200000000, -0.0025285900000000,  0.0011784700000000 ]  - [   0.0037731800000000, -0.0014688200000000,  0.0007951600000000 ]  - [   0.0021636300000000, -0.0001633700000000, -0.0048321200000000 ]  - [   0.0021910900000000,  0.0008002500000000, -0.0006487800000000 ]  - [   0.0019799600000000,  0.0018519300000000,  0.0011409100000000 ]  - [   0.0020575500000000,  0.0018899600000000,  0.0009593900000000 ]  - [  -0.0024518900000000,  0.0027559100000000, -0.0037798200000000 ]  - [  -0.0017328700000000,  0.0022722600000000, -0.0013840000000000 ]  - [  -0.0027927000000000,  0.0013178700000000,  0.0011361400000000 ]  - [  -0.0023494700000000,  0.0012298600000000,  0.0003352900000000 ]  - [  -0.0005304900000000,  0.0016966400000000, -0.0012839200000000 ]  - [  -0.0004145900000000,  0.0015183800000000, -0.0010949600000000 ]  - [  -0.0003712400000000,  0.0011972400000000, -0.0004645400000000 ]  - [  -0.0004224800000000,  0.0012340800000000, -0.0006321300000000 ]  - [   0.0012772400000000,  0.0031607600000000,  0.0010986400000000 ]  - [   0.0011472500000000,  0.0004325600000000,  0.0007802300000000 ]  - [  -0.0000408000000000,  0.0010739500000000,  0.0012016100000000 ]  - [  -0.0010993300000000,  0.0030957600000000,  0.0026094900000000 ]  - [   0.0000616500000000,  0.0008272000000000, -0.0034464800000000 ]  - [   0.0003968300000000, -0.0008551800000000, -0.0001935800000000 ]  - [   0.0000282800000000, -0.0023710500000000,  0.0025907300000000 ]  - [   0.0003302100000000, -0.0017284000000000,  0.0015904900000000 ]  - [  -0.0004415900000000, -0.0015493200000000, -0.0012101200000000 ]  - [  -0.0004250500000000, -0.0014981100000000, -0.0010376500000000 ]  - [  -0.0004406200000000, -0.0010578300000000, -0.0004370400000000 ]  - [  -0.0004965400000000, -0.0013667500000000, -0.0006484400000000 ]  - [  -0.0019110000000000, -0.0016329400000000, -0.0005496800000000 ]  - [  -0.0024003900000000, -0.0016715000000000, -0.0008875600000000 ]  - [  -0.0021568600000000, -0.0015281700000000, -0.0001270400000000 ]  - [  -0.0021892100000000, -0.0014840600000000,  0.0000189000000000 ]  - [   0.0044562200000000, -0.0018477500000000,  0.0002733200000000 ]  - [   0.0023460400000000, -0.0016283900000000,  0.0002517300000000 ]  - [   0.0013284100000000, -0.0019081600000000,  0.0010939300000000 ]  - [   0.0018037600000000, -0.0015144200000000,  0.0004341800000000 ]  - [   0.0006936600000000,  0.0005322200000000, -0.0010263300000000 ]  - [   0.0020764700000000,  0.0014355300000000, -0.0001200800000000 ]  - [   0.0024765600000000,  0.0022831200000000,  0.0012270600000000 ]  - [   0.0021128600000000,  0.0018106100000000,  0.0008326900000000 ]  - [  -0.0028509500000000,  0.0020645500000000, -0.0007497000000000 ]  - [  -0.0022224700000000,  0.0016344100000000, -0.0004800000000000 ]  - [  -0.0013115700000000,  0.0011147100000000,  0.0000063900000000 ]  - [  -0.0018198000000000,  0.0015407000000000, -0.0001920900000000 ]  - [  -0.0183063400000000,  0.0063867900000000,  0.0974867200000000 ]  - [   0.0007035000000000,  0.0044860500000000,  0.0071324600000000 ]  - [   0.0017056100000000,  0.0046244900000000, -0.0017237000000000 ]  - [   0.0011885900000000,  0.0044929800000000,  0.0011889800000000 ]  - [  -0.0055975800000000,  0.0066759200000000, -0.0035468000000000 ]  - [  -0.0022963200000000,  0.0041230800000000, -0.0030646300000000 ]  - [   0.0004815300000000,  0.0035357800000000, -0.0050182000000000 ]  - [   0.0000826800000000,  0.0047323000000000, -0.0050738700000000 ]  - [   0.0047311700000000, -0.0005525500000000,  0.0008817000000000 ]  - [  -0.0003204500000000, -0.0048514200000000, -0.0019982200000000 ]  - [  -0.0019787500000000, -0.0044507800000000, -0.0059113000000000 ]  - [  -0.0014578800000000, -0.0041268500000000, -0.0049293800000000 ]  - [   0.0014490700000000, -0.0119917600000000, -0.0030605400000000 ]  - [   0.0014302800000000, -0.0006281000000000, -0.0002566600000000 ]  - [   0.0027421500000000,  0.0009742700000000, -0.0029037600000000 ]  - [   0.0009849400000000, -0.0145077900000000, -0.0003192100000000 ]  - [   0.0015792600000000,  0.0044902800000000,  0.0048427600000000 ]  - [   0.0012231500000000,  0.0042915100000000,  0.0047924300000000 ]  - [   0.0005092000000000,  0.0042866600000000,  0.0025526100000000 ]  - [   0.0006854500000000,  0.0046076200000000,  0.0025767300000000 ]  - [   0.0080358100000000,  0.0049872900000000, -0.0052920800000000 ]  - [  -0.0002716900000000,  0.0045999300000000, -0.0029927900000000 ]  - [  -0.0041217000000000,  0.0063795000000000, -0.0109759100000000 ]  - [  -0.0013106900000000,  0.0037398400000000, -0.0049817900000000 ]  - [  -0.0041065400000000, -0.0073290100000000,  0.0073718300000000 ]  - [  -0.0041148600000000, -0.0043994100000000, -0.0005743400000000 ]  - [  -0.0002511700000000, -0.0040807100000000, -0.0065984000000000 ]  - [  -0.0001959300000000, -0.0046124000000000, -0.0065722200000000 ]  - [   0.0004553200000000, -0.0037382300000000,  0.0036211700000000 ]  - [   0.0007208400000000, -0.0044843200000000,  0.0036814300000000 ]  - [   0.0011026100000000, -0.0046897500000000,  0.0037191700000000 ]  - [   0.0009360900000000, -0.0043832100000000,  0.0037131300000000 ]