# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0dac514d-658d-4d31-a301-c51f27e6b05c/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 Ba(GaS2)2 / Pa-3 (205) / materials id 849286](https://mdr.nims.go.jp/datasets/209748f1-1e47-40ee-8db4-18b8c8fbd3f0)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Pa-3"  number: 205  Hall_symbol: "-P 2ac 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    12.615329380000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.615329380000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.615329380000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Ba # 3    coordinates: [  0.129644310000000,  0.870355690000000,  0.370355690000000 ]    mass: 137.327000  - symbol: Ba # 4    coordinates: [  0.129644310000000,  0.629644310000000,  0.870355690000000 ]    mass: 137.327000  - symbol: Ba # 5    coordinates: [  0.370355690000000,  0.370355690000000,  0.370355690000000 ]    mass: 137.327000  - symbol: Ba # 6    coordinates: [  0.370355690000000,  0.129644310000000,  0.870355690000000 ]    mass: 137.327000  - symbol: Ba # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000  - symbol: Ba # 9    coordinates: [  0.629644310000000,  0.870355690000000,  0.129644310000000 ]    mass: 137.327000  - symbol: Ba # 10    coordinates: [  0.629644310000000,  0.629644310000000,  0.629644310000000 ]    mass: 137.327000  - symbol: Ba # 11    coordinates: [  0.870355690000000,  0.129644310000000,  0.629644310000000 ]    mass: 137.327000  - symbol: Ba # 12    coordinates: [  0.870355690000000,  0.370355690000000,  0.129644310000000 ]    mass: 137.327000  - symbol: Ga # 13    coordinates: [  0.124811880000000,  0.194622530000000,  0.355357360000000 ]    mass: 69.723000  - symbol: Ga # 14    coordinates: [  0.124811880000000,  0.305377470000000,  0.855357360000000 ]    mass: 69.723000  - symbol: Ga # 15    coordinates: [  0.144642640000000,  0.624811880000000,  0.194622530000000 ]    mass: 69.723000  - symbol: Ga # 16    coordinates: [  0.144642640000000,  0.875188120000000,  0.694622530000000 ]    mass: 69.723000  - symbol: Ga # 17    coordinates: [  0.194622530000000,  0.144642640000000,  0.624811880000000 ]    mass: 69.723000  - symbol: Ga # 18    coordinates: [  0.194622530000000,  0.355357360000000,  0.124811880000000 ]    mass: 69.723000  - symbol: Ga # 19    coordinates: [  0.305377470000000,  0.855357360000000,  0.124811880000000 ]    mass: 69.723000  - symbol: Ga # 20    coordinates: [  0.305377470000000,  0.644642640000000,  0.624811880000000 ]    mass: 69.723000  - symbol: Ga # 21    coordinates: [  0.355357360000000,  0.124811880000000,  0.194622530000000 ]    mass: 69.723000  - symbol: Ga # 22    coordinates: [  0.355357360000000,  0.375188120000000,  0.694622530000000 ]    mass: 69.723000  - symbol: Ga # 23    coordinates: [  0.375188120000000,  0.694622530000000,  0.355357360000000 ]    mass: 69.723000  - symbol: Ga # 24    coordinates: [  0.375188120000000,  0.805377470000000,  0.855357360000000 ]    mass: 69.723000  - symbol: Ga # 25    coordinates: [  0.624811880000000,  0.194622530000000,  0.144642640000000 ]    mass: 69.723000  - symbol: Ga # 26    coordinates: [  0.624811880000000,  0.305377470000000,  0.644642640000000 ]    mass: 69.723000  - symbol: Ga # 27    coordinates: [  0.644642640000000,  0.624811880000000,  0.305377470000000 ]    mass: 69.723000  - symbol: Ga # 28    coordinates: [  0.644642640000000,  0.875188120000000,  0.805377470000000 ]    mass: 69.723000  - symbol: Ga # 29    coordinates: [  0.694622530000000,  0.144642640000000,  0.875188120000000 ]    mass: 69.723000  - symbol: Ga # 30    coordinates: [  0.694622530000000,  0.355357360000000,  0.375188120000000 ]    mass: 69.723000  - symbol: Ga # 31    coordinates: [  0.805377470000000,  0.644642640000000,  0.875188120000000 ]    mass: 69.723000  - symbol: Ga # 32    coordinates: [  0.805377470000000,  0.855357360000000,  0.375188120000000 ]    mass: 69.723000  - symbol: Ga # 33    coordinates: [  0.855357360000000,  0.124811880000000,  0.305377470000000 ]    mass: 69.723000  - symbol: Ga # 34    coordinates: [  0.855357360000000,  0.375188120000000,  0.805377470000000 ]    mass: 69.723000  - symbol: Ga # 35    coordinates: [  0.875188120000000,  0.694622530000000,  0.144642640000000 ]    mass: 69.723000  - symbol: Ga # 36    coordinates: [  0.875188120000000,  0.805377470000000,  0.644642640000000 ]    mass: 69.723000  - symbol: S  # 37    coordinates: [  0.025276030000000,  0.074310710000000,  0.268250960000000 ]    mass: 32.065000  - symbol: S  # 38    coordinates: [  0.025276030000000,  0.425689290000000,  0.768250960000000 ]    mass: 32.065000  - symbol: S  # 39    coordinates: [  0.074310710000000,  0.268250960000000,  0.025276030000000 ]    mass: 32.065000  - symbol: S  # 40    coordinates: [  0.074310710000000,  0.231749040000000,  0.525276030000000 ]    mass: 32.065000  - symbol: S  # 41    coordinates: [  0.125373940000000,  0.362571280000000,  0.291784390000000 ]    mass: 32.065000  - symbol: S  # 42    coordinates: [  0.125373940000000,  0.137428720000000,  0.791784390000000 ]    mass: 32.065000  - symbol: S  # 43    coordinates: [  0.137428720000000,  0.791784390000000,  0.125373940000000 ]    mass: 32.065000  - symbol: S  # 44    coordinates: [  0.137428720000000,  0.708215610000000,  0.625373940000000 ]    mass: 32.065000  - symbol: S  # 45    coordinates: [  0.208215610000000,  0.625373940000000,  0.362571280000000 ]    mass: 32.065000  - symbol: S  # 46    coordinates: [  0.208215610000000,  0.874626060000000,  0.862571280000000 ]    mass: 32.065000  - symbol: S  # 47    coordinates: [  0.231749040000000,  0.525276030000000,  0.074310710000000 ]    mass: 32.065000  - symbol: S  # 48    coordinates: [  0.231749040000000,  0.974723970000000,  0.574310710000000 ]    mass: 32.065000  - symbol: S  # 49    coordinates: [  0.268250960000000,  0.025276030000000,  0.074310710000000 ]    mass: 32.065000  - symbol: S  # 50    coordinates: [  0.268250960000000,  0.474723970000000,  0.574310710000000 ]    mass: 32.065000  - symbol: S  # 51    coordinates: [  0.291784390000000,  0.125373940000000,  0.362571280000000 ]    mass: 32.065000  - symbol: S  # 52    coordinates: [  0.291784390000000,  0.374626060000000,  0.862571280000000 ]    mass: 32.065000  - symbol: S  # 53    coordinates: [  0.362571280000000,  0.291784390000000,  0.125373940000000 ]    mass: 32.065000  - symbol: S  # 54    coordinates: [  0.362571280000000,  0.208215610000000,  0.625373940000000 ]    mass: 32.065000  - symbol: S  # 55    coordinates: [  0.374626060000000,  0.862571280000000,  0.291784390000000 ]    mass: 32.065000  - symbol: S  # 56    coordinates: [  0.374626060000000,  0.637428720000000,  0.791784390000000 ]    mass: 32.065000  - symbol: S  # 57    coordinates: [  0.425689290000000,  0.731749040000000,  0.525276030000000 ]    mass: 32.065000  - symbol: S  # 58    coordinates: [  0.425689290000000,  0.768250960000000,  0.025276030000000 ]    mass: 32.065000  - symbol: S  # 59    coordinates: [  0.474723970000000,  0.574310710000000,  0.268250960000000 ]    mass: 32.065000  - symbol: S  # 60    coordinates: [  0.474723970000000,  0.925689290000000,  0.768250960000000 ]    mass: 32.065000  - symbol: S  # 61    coordinates: [  0.525276030000000,  0.074310710000000,  0.231749040000000 ]    mass: 32.065000  - symbol: S  # 62    coordinates: [  0.525276030000000,  0.425689290000000,  0.731749040000000 ]    mass: 32.065000  - symbol: S  # 63    coordinates: [  0.574310710000000,  0.268250960000000,  0.474723970000000 ]    mass: 32.065000  - symbol: S  # 64    coordinates: [  0.574310710000000,  0.231749040000000,  0.974723970000000 ]    mass: 32.065000  - symbol: S  # 65    coordinates: [  0.625373940000000,  0.362571280000000,  0.208215610000000 ]    mass: 32.065000  - symbol: S  # 66    coordinates: [  0.625373940000000,  0.137428720000000,  0.708215610000000 ]    mass: 32.065000  - symbol: S  # 67    coordinates: [  0.637428720000000,  0.708215610000000,  0.874626060000000 ]    mass: 32.065000  - symbol: S  # 68    coordinates: [  0.637428720000000,  0.791784390000000,  0.374626060000000 ]    mass: 32.065000  - symbol: S  # 69    coordinates: [  0.708215610000000,  0.625373940000000,  0.137428720000000 ]    mass: 32.065000  - symbol: S  # 70    coordinates: [  0.708215610000000,  0.874626060000000,  0.637428720000000 ]    mass: 32.065000  - symbol: S  # 71    coordinates: [  0.731749040000000,  0.525276030000000,  0.425689290000000 ]    mass: 32.065000  - symbol: S  # 72    coordinates: [  0.731749040000000,  0.974723970000000,  0.925689290000000 ]    mass: 32.065000  - symbol: S  # 73    coordinates: [  0.768250960000000,  0.025276030000000,  0.425689290000000 ]    mass: 32.065000  - symbol: S  # 74    coordinates: [  0.768250960000000,  0.474723970000000,  0.925689290000000 ]    mass: 32.065000  - symbol: S  # 75    coordinates: [  0.791784390000000,  0.125373940000000,  0.137428720000000 ]    mass: 32.065000  - symbol: S  # 76    coordinates: [  0.791784390000000,  0.374626060000000,  0.637428720000000 ]    mass: 32.065000  - symbol: S  # 77    coordinates: [  0.862571280000000,  0.208215610000000,  0.874626060000000 ]    mass: 32.065000  - symbol: S  # 78    coordinates: [  0.862571280000000,  0.291784390000000,  0.374626060000000 ]    mass: 32.065000  - symbol: S  # 79    coordinates: [  0.874626060000000,  0.637428720000000,  0.708215610000000 ]    mass: 32.065000  - symbol: S  # 80    coordinates: [  0.874626060000000,  0.862571280000000,  0.208215610000000 ]    mass: 32.065000  - symbol: S  # 81    coordinates: [  0.925689290000000,  0.731749040000000,  0.974723970000000 ]    mass: 32.065000  - symbol: S  # 82    coordinates: [  0.925689290000000,  0.768250960000000,  0.474723970000000 ]    mass: 32.065000  - symbol: S  # 83    coordinates: [  0.974723970000000,  0.574310710000000,  0.231749040000000 ]    mass: 32.065000  - symbol: S  # 84    coordinates: [  0.974723970000000,  0.925689290000000,  0.731749040000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.079268639753899,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.079268639753899,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.079268639753899 ] # c*unit_cell:  lattice:  - [    12.615329380000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.615329380000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.615329380000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.129644310000000,  0.870355690000000,  0.370355690000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.129644310000000,  0.629644310000000,  0.870355690000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.370355690000000,  0.370355690000000,  0.370355690000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.370355690000000,  0.129644310000000,  0.870355690000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 9    coordinates: [  0.629644310000000,  0.870355690000000,  0.129644310000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 10    coordinates: [  0.629644310000000,  0.629644310000000,  0.629644310000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 11    coordinates: [  0.870355690000000,  0.129644310000000,  0.629644310000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 12    coordinates: [  0.870355690000000,  0.370355690000000,  0.129644310000000 ]    mass: 137.327000    reduced_to: 12  - symbol: Ga # 13    coordinates: [  0.124811880000000,  0.194622530000000,  0.355357360000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.124811880000000,  0.305377470000000,  0.855357360000000 ]    mass: 69.723000    reduced_to: 14  - symbol: Ga # 15    coordinates: [  0.144642640000000,  0.624811880000000,  0.194622530000000 ]    mass: 69.723000    reduced_to: 15  - symbol: Ga # 16    coordinates: [  0.144642640000000,  0.875188120000000,  0.694622530000000 ]    mass: 69.723000    reduced_to: 16  - symbol: Ga # 17    coordinates: [  0.194622530000000,  0.144642640000000,  0.624811880000000 ]    mass: 69.723000    reduced_to: 17  - symbol: Ga # 18    coordinates: [  0.194622530000000,  0.355357360000000,  0.124811880000000 ]    mass: 69.723000    reduced_to: 18  - symbol: Ga # 19    coordinates: [  0.305377470000000,  0.855357360000000,  0.124811880000000 ]    mass: 69.723000    reduced_to: 19  - symbol: Ga # 20    coordinates: [  0.305377470000000,  0.644642640000000,  0.624811880000000 ]    mass: 69.723000    reduced_to: 20  - symbol: Ga # 21    coordinates: [  0.355357360000000,  0.124811880000000,  0.194622530000000 ]    mass: 69.723000    reduced_to: 21  - symbol: Ga # 22    coordinates: [  0.355357360000000,  0.375188120000000,  0.694622530000000 ]    mass: 69.723000    reduced_to: 22  - symbol: Ga # 23    coordinates: [  0.375188120000000,  0.694622530000000,  0.355357360000000 ]    mass: 69.723000    reduced_to: 23  - symbol: Ga # 24    coordinates: [  0.375188120000000,  0.805377470000000,  0.855357360000000 ]    mass: 69.723000    reduced_to: 24  - symbol: Ga # 25    coordinates: [  0.624811880000000,  0.194622530000000,  0.144642640000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 26    coordinates: [  0.624811880000000,  0.305377470000000,  0.644642640000000 ]    mass: 69.723000    reduced_to: 26  - symbol: Ga # 27    coordinates: [  0.644642640000000,  0.624811880000000,  0.305377470000000 ]    mass: 69.723000    reduced_to: 27  - symbol: Ga # 28    coordinates: [  0.644642640000000,  0.875188120000000,  0.805377470000000 ]    mass: 69.723000    reduced_to: 28  - symbol: Ga # 29    coordinates: [  0.694622530000000,  0.144642640000000,  0.875188120000000 ]    mass: 69.723000    reduced_to: 29  - symbol: Ga # 30    coordinates: [  0.694622530000000,  0.355357360000000,  0.375188120000000 ]    mass: 69.723000    reduced_to: 30  - symbol: Ga # 31    coordinates: [  0.805377470000000,  0.644642640000000,  0.875188120000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 32    coordinates: [  0.805377470000000,  0.855357360000000,  0.375188120000000 ]    mass: 69.723000    reduced_to: 32  - symbol: Ga # 33    coordinates: [  0.855357360000000,  0.124811880000000,  0.305377470000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.855357360000000,  0.375188120000000,  0.805377470000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 35    coordinates: [  0.875188120000000,  0.694622530000000,  0.144642640000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 36    coordinates: [  0.875188120000000,  0.805377470000000,  0.644642640000000 ]    mass: 69.723000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.025276030000000,  0.074310710000000,  0.268250960000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.025276030000000,  0.425689290000000,  0.768250960000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.074310710000000,  0.268250960000000,  0.025276030000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.074310710000000,  0.231749040000000,  0.525276030000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.125373940000000,  0.362571280000000,  0.291784390000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.125373940000000,  0.137428720000000,  0.791784390000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.137428720000000,  0.791784390000000,  0.125373940000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.137428720000000,  0.708215610000000,  0.625373940000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.208215610000000,  0.625373940000000,  0.362571280000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.208215610000000,  0.874626060000000,  0.862571280000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.231749040000000,  0.525276030000000,  0.074310710000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.231749040000000,  0.974723970000000,  0.574310710000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.268250960000000,  0.025276030000000,  0.074310710000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.268250960000000,  0.474723970000000,  0.574310710000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.291784390000000,  0.125373940000000,  0.362571280000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.291784390000000,  0.374626060000000,  0.862571280000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.362571280000000,  0.291784390000000,  0.125373940000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.362571280000000,  0.208215610000000,  0.625373940000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.374626060000000,  0.862571280000000,  0.291784390000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.374626060000000,  0.637428720000000,  0.791784390000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.425689290000000,  0.731749040000000,  0.525276030000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.425689290000000,  0.768250960000000,  0.025276030000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.474723970000000,  0.574310710000000,  0.268250960000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.474723970000000,  0.925689290000000,  0.768250960000000 ]    mass: 32.065000    reduced_to: 60  - symbol: S  # 61    coordinates: [  0.525276030000000,  0.074310710000000,  0.231749040000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.525276030000000,  0.425689290000000,  0.731749040000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.574310710000000,  0.268250960000000,  0.474723970000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 64    coordinates: [  0.574310710000000,  0.231749040000000,  0.974723970000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 65    coordinates: [  0.625373940000000,  0.362571280000000,  0.208215610000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.625373940000000,  0.137428720000000,  0.708215610000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 67    coordinates: [  0.637428720000000,  0.708215610000000,  0.874626060000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.637428720000000,  0.791784390000000,  0.374626060000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 69    coordinates: [  0.708215610000000,  0.625373940000000,  0.137428720000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 70    coordinates: [  0.708215610000000,  0.874626060000000,  0.637428720000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 71    coordinates: [  0.731749040000000,  0.525276030000000,  0.425689290000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 72    coordinates: [  0.731749040000000,  0.974723970000000,  0.925689290000000 ]    mass: 32.065000    reduced_to: 72  - symbol: S  # 73    coordinates: [  0.768250960000000,  0.025276030000000,  0.425689290000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 74    coordinates: [  0.768250960000000,  0.474723970000000,  0.925689290000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 75    coordinates: [  0.791784390000000,  0.125373940000000,  0.137428720000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 76    coordinates: [  0.791784390000000,  0.374626060000000,  0.637428720000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 77    coordinates: [  0.862571280000000,  0.208215610000000,  0.874626060000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 78    coordinates: [  0.862571280000000,  0.291784390000000,  0.374626060000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 79    coordinates: [  0.874626060000000,  0.637428720000000,  0.708215610000000 ]    mass: 32.065000    reduced_to: 79  - symbol: S  # 80    coordinates: [  0.874626060000000,  0.862571280000000,  0.208215610000000 ]    mass: 32.065000    reduced_to: 80  - symbol: S  # 81    coordinates: [  0.925689290000000,  0.731749040000000,  0.974723970000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 82    coordinates: [  0.925689290000000,  0.768250960000000,  0.474723970000000 ]    mass: 32.065000    reduced_to: 82  - symbol: S  # 83    coordinates: [  0.974723970000000,  0.574310710000000,  0.231749040000000 ]    mass: 32.065000    reduced_to: 83  - symbol: S  # 84    coordinates: [  0.974723970000000,  0.925689290000000,  0.731749040000000 ]    mass: 32.065000    reduced_to: 84supercell:  lattice:  - [    12.615329380000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.615329380000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.615329380000000 ] # c  points:  - symbol: Ba # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 1  - symbol: Ba # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 2  - symbol: Ba # 3    coordinates: [  0.129644310000000,  0.870355690000000,  0.370355690000000 ]    mass: 137.327000    reduced_to: 3  - symbol: Ba # 4    coordinates: [  0.129644310000000,  0.629644310000000,  0.870355690000000 ]    mass: 137.327000    reduced_to: 4  - symbol: Ba # 5    coordinates: [  0.370355690000000,  0.370355690000000,  0.370355690000000 ]    mass: 137.327000    reduced_to: 5  - symbol: Ba # 6    coordinates: [  0.370355690000000,  0.129644310000000,  0.870355690000000 ]    mass: 137.327000    reduced_to: 6  - symbol: Ba # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 137.327000    reduced_to: 7  - symbol: Ba # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 137.327000    reduced_to: 8  - symbol: Ba # 9    coordinates: [  0.629644310000000,  0.870355690000000,  0.129644310000000 ]    mass: 137.327000    reduced_to: 9  - symbol: Ba # 10    coordinates: [  0.629644310000000,  0.629644310000000,  0.629644310000000 ]    mass: 137.327000    reduced_to: 10  - symbol: Ba # 11    coordinates: [  0.870355690000000,  0.129644310000000,  0.629644310000000 ]    mass: 137.327000    reduced_to: 11  - symbol: Ba # 12    coordinates: [  0.870355690000000,  0.370355690000000,  0.129644310000000 ]    mass: 137.327000    reduced_to: 12  - symbol: Ga # 13    coordinates: [  0.124811880000000,  0.194622530000000,  0.355357360000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.124811880000000,  0.305377470000000,  0.855357360000000 ]    mass: 69.723000    reduced_to: 14  - symbol: Ga # 15    coordinates: [  0.144642640000000,  0.624811880000000,  0.194622530000000 ]    mass: 69.723000    reduced_to: 15  - symbol: Ga # 16    coordinates: [  0.144642640000000,  0.875188120000000,  0.694622530000000 ]    mass: 69.723000    reduced_to: 16  - symbol: Ga # 17    coordinates: [  0.194622530000000,  0.144642640000000,  0.624811880000000 ]    mass: 69.723000    reduced_to: 17  - symbol: Ga # 18    coordinates: [  0.194622530000000,  0.355357360000000,  0.124811880000000 ]    mass: 69.723000    reduced_to: 18  - symbol: Ga # 19    coordinates: [  0.305377470000000,  0.855357360000000,  0.124811880000000 ]    mass: 69.723000    reduced_to: 19  - symbol: Ga # 20    coordinates: [  0.305377470000000,  0.644642640000000,  0.624811880000000 ]    mass: 69.723000    reduced_to: 20  - symbol: Ga # 21    coordinates: [  0.355357360000000,  0.124811880000000,  0.194622530000000 ]    mass: 69.723000    reduced_to: 21  - symbol: Ga # 22    coordinates: [  0.355357360000000,  0.375188120000000,  0.694622530000000 ]    mass: 69.723000    reduced_to: 22  - symbol: Ga # 23    coordinates: [  0.375188120000000,  0.694622530000000,  0.355357360000000 ]    mass: 69.723000    reduced_to: 23  - symbol: Ga # 24    coordinates: [  0.375188120000000,  0.805377470000000,  0.855357360000000 ]    mass: 69.723000    reduced_to: 24  - symbol: Ga # 25    coordinates: [  0.624811880000000,  0.194622530000000,  0.144642640000000 ]    mass: 69.723000    reduced_to: 25  - symbol: Ga # 26    coordinates: [  0.624811880000000,  0.305377470000000,  0.644642640000000 ]    mass: 69.723000    reduced_to: 26  - symbol: Ga # 27    coordinates: [  0.644642640000000,  0.624811880000000,  0.305377470000000 ]    mass: 69.723000    reduced_to: 27  - symbol: Ga # 28    coordinates: [  0.644642640000000,  0.875188120000000,  0.805377470000000 ]    mass: 69.723000    reduced_to: 28  - symbol: Ga # 29    coordinates: [  0.694622530000000,  0.144642640000000,  0.875188120000000 ]    mass: 69.723000    reduced_to: 29  - symbol: Ga # 30    coordinates: [  0.694622530000000,  0.355357360000000,  0.375188120000000 ]    mass: 69.723000    reduced_to: 30  - symbol: Ga # 31    coordinates: [  0.805377470000000,  0.644642640000000,  0.875188120000000 ]    mass: 69.723000    reduced_to: 31  - symbol: Ga # 32    coordinates: [  0.805377470000000,  0.855357360000000,  0.375188120000000 ]    mass: 69.723000    reduced_to: 32  - symbol: Ga # 33    coordinates: [  0.855357360000000,  0.124811880000000,  0.305377470000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.855357360000000,  0.375188120000000,  0.805377470000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 35    coordinates: [  0.875188120000000,  0.694622530000000,  0.144642640000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 36    coordinates: [  0.875188120000000,  0.805377470000000,  0.644642640000000 ]    mass: 69.723000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.025276030000000,  0.074310710000000,  0.268250960000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.025276030000000,  0.425689290000000,  0.768250960000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.074310710000000,  0.268250960000000,  0.025276030000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.074310710000000,  0.231749040000000,  0.525276030000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.125373940000000,  0.362571280000000,  0.291784390000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.125373940000000,  0.137428720000000,  0.791784390000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.137428720000000,  0.791784390000000,  0.125373940000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.137428720000000,  0.708215610000000,  0.625373940000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.208215610000000,  0.625373940000000,  0.362571280000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.208215610000000,  0.874626060000000,  0.862571280000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.231749040000000,  0.525276030000000,  0.074310710000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.231749040000000,  0.974723970000000,  0.574310710000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.268250960000000,  0.025276030000000,  0.074310710000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.268250960000000,  0.474723970000000,  0.574310710000000 ]    mass: 32.065000    reduced_to: 50  - symbol: S  # 51    coordinates: [  0.291784390000000,  0.125373940000000,  0.362571280000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.291784390000000,  0.374626060000000,  0.862571280000000 ]    mass: 32.065000    reduced_to: 52  - symbol: S  # 53    coordinates: [  0.362571280000000,  0.291784390000000,  0.125373940000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.362571280000000,  0.208215610000000,  0.625373940000000 ]    mass: 32.065000    reduced_to: 54  - symbol: S  # 55    coordinates: [  0.374626060000000,  0.862571280000000,  0.291784390000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.374626060000000,  0.637428720000000,  0.791784390000000 ]    mass: 32.065000    reduced_to: 56  - symbol: S  # 57    coordinates: [  0.425689290000000,  0.731749040000000,  0.525276030000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.425689290000000,  0.768250960000000,  0.025276030000000 ]    mass: 32.065000    reduced_to: 58  - symbol: S  # 59    coordinates: [  0.474723970000000,  0.574310710000000,  0.268250960000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.474723970000000,  0.925689290000000,  0.768250960000000 ]    mass: 32.065000    reduced_to: 60  - symbol: S  # 61    coordinates: [  0.525276030000000,  0.074310710000000,  0.231749040000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.525276030000000,  0.425689290000000,  0.731749040000000 ]    mass: 32.065000    reduced_to: 62  - symbol: S  # 63    coordinates: [  0.574310710000000,  0.268250960000000,  0.474723970000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 64    coordinates: [  0.574310710000000,  0.231749040000000,  0.974723970000000 ]    mass: 32.065000    reduced_to: 64  - symbol: S  # 65    coordinates: [  0.625373940000000,  0.362571280000000,  0.208215610000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.625373940000000,  0.137428720000000,  0.708215610000000 ]    mass: 32.065000    reduced_to: 66  - symbol: S  # 67    coordinates: [  0.637428720000000,  0.708215610000000,  0.874626060000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.637428720000000,  0.791784390000000,  0.374626060000000 ]    mass: 32.065000    reduced_to: 68  - symbol: S  # 69    coordinates: [  0.708215610000000,  0.625373940000000,  0.137428720000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 70    coordinates: [  0.708215610000000,  0.874626060000000,  0.637428720000000 ]    mass: 32.065000    reduced_to: 70  - symbol: S  # 71    coordinates: [  0.731749040000000,  0.525276030000000,  0.425689290000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 72    coordinates: [  0.731749040000000,  0.974723970000000,  0.925689290000000 ]    mass: 32.065000    reduced_to: 72  - symbol: S  # 73    coordinates: [  0.768250960000000,  0.025276030000000,  0.425689290000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 74    coordinates: [  0.768250960000000,  0.474723970000000,  0.925689290000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 75    coordinates: [  0.791784390000000,  0.125373940000000,  0.137428720000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 76    coordinates: [  0.791784390000000,  0.374626060000000,  0.637428720000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 77    coordinates: [  0.862571280000000,  0.208215610000000,  0.874626060000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 78    coordinates: [  0.862571280000000,  0.291784390000000,  0.374626060000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 79    coordinates: [  0.874626060000000,  0.637428720000000,  0.708215610000000 ]    mass: 32.065000    reduced_to: 79  - symbol: S  # 80    coordinates: [  0.874626060000000,  0.862571280000000,  0.208215610000000 ]    mass: 32.065000    reduced_to: 80  - symbol: S  # 81    coordinates: [  0.925689290000000,  0.731749040000000,  0.974723970000000 ]    mass: 32.065000    reduced_to: 81  - symbol: S  # 82    coordinates: [  0.925689290000000,  0.768250960000000,  0.474723970000000 ]    mass: 32.065000    reduced_to: 82  - symbol: S  # 83    coordinates: [  0.974723970000000,  0.574310710000000,  0.231749040000000 ]    mass: 32.065000    reduced_to: 83  - symbol: S  # 84    coordinates: [  0.974723970000000,  0.925689290000000,  0.731749040000000 ]    mass: 32.065000    reduced_to: 84displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0098213300000000,  0.0004412500000000,  0.0004417000000000 ]  - [  -0.0008083800000000,  0.0000516200000000,  0.0000124500000000 ]  - [  -0.0012198800000000,  0.0000753000000000,  0.0010732500000000 ]  - [  -0.0015598800000000, -0.0011893900000000, -0.0000972400000000 ]  - [   0.0008231500000000,  0.0003950200000000,  0.0003200900000000 ]  - [   0.0028674500000000,  0.0007603800000000, -0.0010111000000000 ]  - [   0.0008951900000000,  0.0000127600000000,  0.0003230400000000 ]  - [   0.0012471700000000, -0.0003247300000000, -0.0000518400000000 ]  - [   0.0024365600000000,  0.0011742500000000, -0.0014175700000000 ]  - [   0.0004049900000000, -0.0000308000000000, -0.0001021400000000 ]  - [  -0.0007943600000000, -0.0003505400000000,  0.0006542400000000 ]  - [  -0.0011334000000000, -0.0007636100000000, -0.0005203900000000 ]  - [  -0.0005115400000000, -0.0001786300000000, -0.0000831600000000 ]  - [  -0.0006452600000000,  0.0018655600000000, -0.0004989100000000 ]  - [  -0.0011916300000000, -0.0027351400000000,  0.0011374900000000 ]  - [  -0.0028666400000000,  0.0004323800000000, -0.0026828700000000 ]  - [   0.0009357800000000, -0.0001914500000000, -0.0019536500000000 ]  - [   0.0005303100000000,  0.0001491400000000,  0.0005615200000000 ]  - [   0.0019851700000000, -0.0032997500000000,  0.0009487500000000 ]  - [  -0.0000451600000000,  0.0000152500000000, -0.0006518400000000 ]  - [   0.0023524500000000,  0.0024497500000000,  0.0033325700000000 ]  - [   0.0006289200000000,  0.0005616400000000, -0.0001530500000000 ]  - [   0.0008336900000000, -0.0007359000000000,  0.0001098300000000 ]  - [   0.0037608900000000, -0.0003304300000000, -0.0003107400000000 ]  - [   0.0031992400000000, -0.0002676400000000, -0.0003098300000000 ]  - [   0.0002767100000000, -0.0007846400000000,  0.0001076100000000 ]  - [   0.0006276200000000,  0.0000057400000000, -0.0002162100000000 ]  - [   0.0023337700000000,  0.0029982200000000,  0.0032547900000000 ]  - [   0.0020392600000000, -0.0032666100000000,  0.0014960400000000 ]  - [   0.0000176700000000,  0.0000210700000000, -0.0000896200000000 ]  - [   0.0004868100000000,  0.0001446300000000,  0.0011308900000000 ]  - [   0.0008772600000000, -0.0001971800000000, -0.0013999300000000 ]  - [  -0.0028437100000000, -0.0001294000000000, -0.0027338200000000 ]  - [  -0.0011995200000000, -0.0021701500000000,  0.0010788600000000 ]  - [  -0.0000860700000000,  0.0019275200000000, -0.0005077100000000 ]  - [   0.0000645400000000, -0.0002248500000000, -0.0000845000000000 ]  - [   0.0018619600000000, -0.0003129400000000, -0.0001749800000000 ]  - [   0.0011583700000000,  0.0001782400000000, -0.0000508300000000 ]  - [   0.0004472600000000, -0.0010242800000000, -0.0000182800000000 ]  - [   0.0000161700000000,  0.0002296900000000,  0.0005571100000000 ]  - [   0.0000974100000000, -0.0003062100000000, -0.0001057400000000 ]  - [   0.0001192300000000,  0.0000824600000000,  0.0007635900000000 ]  - [   0.0010402900000000,  0.0014795500000000, -0.0003824700000000 ]  - [   0.0008774100000000,  0.0003386800000000,  0.0006195700000000 ]  - [  -0.0002856000000000,  0.0004783000000000, -0.0008319700000000 ]  - [  -0.0003455300000000,  0.0000698400000000,  0.0001506200000000 ]  - [   0.0002677800000000,  0.0002950900000000, -0.0004137800000000 ]  - [   0.0005494400000000,  0.0000178000000000,  0.0002825400000000 ]  - [  -0.0002919900000000, -0.0001043300000000, -0.0016930300000000 ]  - [  -0.0003843200000000,  0.0000785600000000, -0.0002757600000000 ]  - [   0.0000795500000000, -0.0003954900000000, -0.0008928400000000 ]  - [  -0.0002284400000000, -0.0003965200000000, -0.0000506200000000 ]  - [  -0.0007678500000000, -0.0007615700000000, -0.0002473800000000 ]  - [  -0.0008235300000000, -0.0003712200000000,  0.0003516600000000 ]  - [  -0.0006077300000000,  0.0005069800000000, -0.0007242200000000 ]  - [  -0.0006534700000000,  0.0009834100000000,  0.0004788600000000 ]  - [  -0.0000244000000000,  0.0004167000000000, -0.0002385400000000 ]  - [  -0.0011013000000000,  0.0005106200000000,  0.0000906200000000 ]  - [  -0.0006115700000000, -0.0001334200000000, -0.0002044400000000 ]  - [  -0.0026753900000000, -0.0000193100000000, -0.0006247800000000 ]  - [  -0.0028444300000000, -0.0005703300000000, -0.0000070800000000 ]  - [  -0.0007804900000000,  0.0004172900000000,  0.0004166500000000 ]  - [  -0.0005788200000000, -0.0002086800000000, -0.0000738500000000 ]  - [  -0.0016563800000000,  0.0011291800000000,  0.0002617400000000 ]  - [  -0.0006920200000000,  0.0005776600000000,  0.0002430200000000 ]  - [  -0.0006493800000000,  0.0008972600000000, -0.0009583200000000 ]  - [  -0.0003687600000000, -0.0009841200000000, -0.0002120500000000 ]  - [  -0.0004290500000000, -0.0001424700000000,  0.0003887200000000 ]  - [  -0.0004643900000000, -0.0004344000000000,  0.0003539800000000 ]  - [  -0.0001567700000000, -0.0003548500000000, -0.0004827000000000 ]  - [   0.0002363400000000, -0.0000851600000000,  0.0002731600000000 ]  - [   0.0001804000000000,  0.0000300200000000, -0.0011810200000000 ]  - [  -0.0000779300000000, -0.0001440100000000,  0.0008321700000000 ]  - [  -0.0003583000000000,  0.0004584000000000,  0.0001369900000000 ]  - [  -0.0001952400000000,  0.0000783300000000,  0.0005860400000000 ]  - [  -0.0000546200000000,  0.0005167400000000, -0.0004337200000000 ]  - [   0.0006277700000000,  0.0012778200000000, -0.0003632500000000 ]  - [   0.0004738800000000,  0.0005684400000000,  0.0006526800000000 ]  - [   0.0001308200000000,  0.0000933400000000, -0.0003404100000000 ]  - [   0.0001440600000000, -0.0003270300000000,  0.0005567800000000 ]  - [   0.0009859400000000, -0.0004082800000000,  0.0001423100000000 ]  - [   0.0005672700000000, -0.0003953000000000,  0.0007196400000000 ]  - [   0.0013273800000000, -0.0003740900000000,  0.0005734900000000 ]  - [   0.0020211300000000,  0.0002329900000000,  0.0004431500000000 ]- atom:    3  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009987400000000, -0.0003118400000000,  0.0009725800000000 ]  - [  -0.0013425200000000,  0.0012176900000000, -0.0001384100000000 ]  - [  -0.0348285700000000,  0.0047765800000000,  0.0046648900000000 ]  - [  -0.0008679500000000, -0.0002708000000000,  0.0001772300000000 ]  - [   0.0005915900000000,  0.0002375300000000,  0.0002621300000000 ]  - [   0.0005237200000000, -0.0000710600000000, -0.0000178300000000 ]  - [   0.0026563700000000,  0.0008709000000000,  0.0009757600000000 ]  - [   0.0006075800000000, -0.0001109800000000, -0.0001770400000000 ]  - [   0.0024699300000000,  0.0001665300000000, -0.0002274000000000 ]  - [   0.0011898200000000,  0.0000111300000000, -0.0002262500000000 ]  - [   0.0003524000000000, -0.0011819800000000, -0.0011862900000000 ]  - [   0.0002312100000000,  0.0002225000000000, -0.0000726400000000 ]  - [  -0.0043445700000000, -0.0010811800000000, -0.0012937600000000 ]  - [  -0.0005640000000000,  0.0002958700000000,  0.0000295000000000 ]  - [  -0.0025721100000000, -0.0006224100000000, -0.0014508600000000 ]  - [  -0.0024080000000000, -0.0006250700000000,  0.0006432800000000 ]  - [  -0.0006023900000000,  0.0020227100000000, -0.0000379700000000 ]  - [  -0.0005503100000000, -0.0000833000000000, -0.0001709000000000 ]  - [  -0.0010167100000000, -0.0009566200000000, -0.0072793700000000 ]  - [  -0.0012704200000000, -0.0006553500000000,  0.0010684100000000 ]  - [   0.0011485900000000,  0.0006879300000000, -0.0011875900000000 ]  - [   0.0003168500000000,  0.0003539400000000,  0.0003603400000000 ]  - [   0.0044177600000000, -0.0067222700000000,  0.0006586800000000 ]  - [   0.0000366600000000,  0.0004409000000000, -0.0006169400000000 ]  - [   0.0009081500000000,  0.0001969900000000, -0.0004553400000000 ]  - [   0.0000822300000000, -0.0001690300000000, -0.0000647700000000 ]  - [   0.0015032600000000,  0.0005905400000000,  0.0002008300000000 ]  - [   0.0007565100000000,  0.0003249700000000, -0.0007604300000000 ]  - [   0.0002998000000000, -0.0003164300000000,  0.0003168600000000 ]  - [   0.0007406800000000,  0.0002048200000000,  0.0004950700000000 ]  - [   0.0008330600000000, -0.0001560700000000, -0.0002344900000000 ]  - [   0.0069309500000000, -0.0006114000000000,  0.0009098100000000 ]  - [   0.0013118000000000, -0.0019293700000000,  0.0008303900000000 ]  - [  -0.0002365400000000,  0.0003983200000000,  0.0000569400000000 ]  - [   0.0003342200000000,  0.0032192000000000,  0.0015526900000000 ]  - [   0.0015200100000000, -0.0007213100000000, -0.0050257400000000 ]  - [   0.0037241100000000, -0.0053189300000000,  0.0029687700000000 ]  - [   0.0002308700000000,  0.0002156100000000, -0.0002466600000000 ]  - [   0.0000640600000000, -0.0003402800000000, -0.0003191900000000 ]  - [   0.0006555900000000,  0.0002727600000000,  0.0003593000000000 ]  - [   0.0009036000000000,  0.0004412600000000,  0.0002099500000000 ]  - [   0.0003602600000000, -0.0002907900000000, -0.0001945000000000 ]  - [   0.0022048400000000,  0.0002080700000000, -0.0000227800000000 ]  - [   0.0015989600000000,  0.0000214300000000, -0.0005178000000000 ]  - [   0.0024188100000000, -0.0013369200000000,  0.0003905800000000 ]  - [   0.0001841000000000,  0.0001781800000000, -0.0004526600000000 ]  - [   0.0006792100000000,  0.0001136900000000,  0.0000069700000000 ]  - [   0.0044760700000000,  0.0032122300000000,  0.0058257500000000 ]  - [  -0.0001119500000000, -0.0007099200000000,  0.0008677800000000 ]  - [  -0.0001762400000000,  0.0003108100000000, -0.0005254500000000 ]  - [   0.0006851900000000, -0.0022263400000000,  0.0004146000000000 ]  - [   0.0002610600000000,  0.0000347400000000, -0.0002671500000000 ]  - [  -0.0002263500000000, -0.0003844600000000,  0.0003815900000000 ]  - [  -0.0002570600000000, -0.0004879300000000, -0.0002351800000000 ]  - [   0.0102251700000000,  0.0007086100000000, -0.0016979900000000 ]  - [   0.0003449900000000,  0.0002393000000000,  0.0000631100000000 ]  - [  -0.0007623000000000,  0.0015620600000000, -0.0014636300000000 ]  - [   0.0001921600000000, -0.0001502200000000,  0.0014376700000000 ]  - [  -0.0015247200000000,  0.0007327600000000, -0.0000498500000000 ]  - [  -0.0006243500000000,  0.0002128500000000, -0.0000766000000000 ]  - [  -0.0011857600000000, -0.0006054600000000,  0.0007999500000000 ]  - [  -0.0004203800000000,  0.0002864000000000,  0.0003094100000000 ]  - [  -0.0007877800000000, -0.0003541900000000,  0.0000766000000000 ]  - [  -0.0006641900000000,  0.0003459400000000,  0.0001346900000000 ]  - [  -0.0005201800000000, -0.0002289400000000, -0.0001523100000000 ]  - [  -0.0002801600000000,  0.0003073600000000, -0.0001359800000000 ]  - [  -0.0002643100000000, -0.0001516900000000,  0.0001674800000000 ]  - [  -0.0021288500000000, -0.0003970500000000, -0.0002111300000000 ]  - [  -0.0010981900000000, -0.0008671300000000,  0.0000708300000000 ]  - [  -0.0011880400000000,  0.0002442000000000,  0.0013054400000000 ]  - [  -0.0002305900000000, -0.0003389000000000,  0.0001238700000000 ]  - [   0.0000538700000000,  0.0002183700000000,  0.0002795700000000 ]  - [  -0.0017390500000000,  0.0009246200000000,  0.0003462400000000 ]  - [  -0.0004907500000000, -0.0001634000000000,  0.0004667800000000 ]  - [  -0.0007715500000000,  0.0004748400000000, -0.0000702200000000 ]  - [  -0.0000630800000000,  0.0000136200000000,  0.0001846100000000 ]  - [  -0.0001989700000000, -0.0000551900000000,  0.0000369200000000 ]  - [  -0.0005373800000000,  0.0007240700000000,  0.0000639600000000 ]  - [  -0.0005143300000000, -0.0002308300000000,  0.0011540600000000 ]  - [  -0.0028084800000000, -0.0015221000000000, -0.0024399400000000 ]  - [   0.0005256200000000, -0.0000087000000000, -0.0003256200000000 ]  - [   0.0094500900000000,  0.0051000200000000, -0.0040267700000000 ]  - [   0.0010531000000000, -0.0012708600000000, -0.0000665000000000 ]  - [   0.0011229800000000,  0.0006938400000000,  0.0015000700000000 ]- atom:    3  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009999100000000,  0.0003287500000000, -0.0009708400000000 ]  - [   0.0013459700000000, -0.0012033100000000,  0.0001358000000000 ]  - [   0.0342041500000000, -0.0041472600000000, -0.0042879300000000 ]  - [   0.0003499100000000, -0.0002646100000000,  0.0003293300000000 ]  - [  -0.0000849500000000,  0.0002804300000000,  0.0002409400000000 ]  - [  -0.0000336000000000, -0.0004183600000000,  0.0004922100000000 ]  - [  -0.0026524300000000, -0.0008545200000000, -0.0009572300000000 ]  - [  -0.0005969300000000,  0.0000964100000000,  0.0001704700000000 ]  - [  -0.0029681700000000,  0.0003349200000000, -0.0002656700000000 ]  - [  -0.0016374000000000, -0.0004956400000000, -0.0002215300000000 ]  - [   0.0001517700000000,  0.0006779000000000,  0.0007235200000000 ]  - [   0.0002510400000000,  0.0002634000000000, -0.0004279100000000 ]  - [   0.0038262900000000,  0.0011807100000000,  0.0011265700000000 ]  - [   0.0000498000000000, -0.0004539500000000, -0.0001989200000000 ]  - [   0.0026824600000000,  0.0001658600000000,  0.0015384700000000 ]  - [   0.0025752300000000,  0.0011317300000000, -0.0006039600000000 ]  - [   0.0007040900000000, -0.0018704900000000, -0.0004044200000000 ]  - [   0.0006138700000000, -0.0000880600000000, -0.0003117700000000 ]  - [   0.0009066500000000,  0.0008120300000000,  0.0067552100000000 ]  - [   0.0011921100000000,  0.0008339100000000, -0.0015428800000000 ]  - [  -0.0013013600000000, -0.0011625600000000,  0.0012502900000000 ]  - [  -0.0004692600000000,  0.0000989200000000, -0.0002589600000000 ]  - [  -0.0038923200000000,  0.0067505200000000, -0.0007862200000000 ]  - [   0.0004700100000000, -0.0005701400000000,  0.0004868300000000 ]  - [  -0.0014076900000000, -0.0000586100000000,  0.0005518000000000 ]  - [  -0.0005997300000000,  0.0000539200000000,  0.0001991600000000 ]  - [  -0.0013822100000000, -0.0010914500000000, -0.0002733000000000 ]  - [  -0.0005738600000000,  0.0001466200000000,  0.0006889800000000 ]  - [  -0.0002319200000000,  0.0005399200000000,  0.0002013900000000 ]  - [  -0.0006609300000000, -0.0003840700000000, -0.0000301600000000 ]  - [  -0.0008982500000000,  0.0003770800000000,  0.0006912600000000 ]  - [  -0.0070319300000000,  0.0004392600000000, -0.0004142000000000 ]  - [  -0.0014543400000000,  0.0014581000000000, -0.0009107000000000 ]  - [   0.0001236100000000,  0.0001001800000000, -0.0001117900000000 ]  - [   0.0002030700000000, -0.0031308600000000, -0.0013781700000000 ]  - [  -0.0010372300000000,  0.0005514500000000,  0.0052148400000000 ]  - [  -0.0039349200000000,  0.0050340300000000, -0.0035808500000000 ]  - [  -0.0005170300000000,  0.0001914000000000, -0.0003476400000000 ]  - [  -0.0004176000000000, -0.0002192800000000,  0.0001192700000000 ]  - [  -0.0010676300000000,  0.0003170400000000, -0.0006622200000000 ]  - [  -0.0009684500000000, -0.0009963200000000, -0.0000612300000000 ]  - [  -0.0004163100000000,  0.0008186000000000,  0.0003523000000000 ]  - [  -0.0017059800000000, -0.0001371000000000, -0.0000065700000000 ]  - [  -0.0011128700000000, -0.0001176800000000,  0.0004874100000000 ]  - [  -0.0024782400000000,  0.0012622400000000, -0.0009067000000000 ]  - [  -0.0002766200000000, -0.0001213100000000, -0.0000708900000000 ]  - [  -0.0000997600000000, -0.0003633800000000, -0.0004051700000000 ]  - [  -0.0039195300000000, -0.0029670800000000, -0.0061249600000000 ]  - [  -0.0004582300000000,  0.0004993000000000, -0.0012590500000000 ]  - [  -0.0004132700000000, -0.0001020400000000,  0.0001550200000000 ]  - [  -0.0005589300000000,  0.0021636500000000, -0.0008990900000000 ]  - [  -0.0001182500000000,  0.0000529800000000, -0.0002883600000000 ]  - [  -0.0003088300000000,  0.0004900800000000, -0.0004439000000000 ]  - [  -0.0002489800000000,  0.0004087000000000,  0.0001944100000000 ]  - [  -0.0096523700000000, -0.0012708000000000,  0.0016696300000000 ]  - [  -0.0002836900000000,  0.0003083000000000,  0.0000664900000000 ]  - [   0.0011414700000000, -0.0009678400000000,  0.0011877900000000 ]  - [   0.0001920700000000, -0.0004248400000000, -0.0017157600000000 ]  - [   0.0017783100000000, -0.0010741500000000, -0.0005127800000000 ]  - [   0.0008519100000000,  0.0001926900000000, -0.0004927800000000 ]  - [   0.0009311000000000,  0.0002052900000000, -0.0002117400000000 ]  - [   0.0001719200000000,  0.0001084700000000,  0.0002569100000000 ]  - [   0.0004317800000000, -0.0002096200000000,  0.0001560300000000 ]  - [   0.0002267900000000,  0.0002519100000000,  0.0001745900000000 ]  - [   0.0004635900000000, -0.0003206400000000,  0.0000460500000000 ]  - [   0.0002133200000000,  0.0001950900000000, -0.0000623200000000 ]  - [   0.0007478200000000,  0.0000376000000000, -0.0001272200000000 ]  - [   0.0026716000000000,  0.0004732600000000,  0.0002582200000000 ]  - [   0.0009842700000000,  0.0008073300000000,  0.0004406000000000 ]  - [   0.0010315800000000, -0.0001520200000000, -0.0007885700000000 ]  - [   0.0007983900000000,  0.0001274500000000,  0.0002556100000000 ]  - [   0.0005614000000000, -0.0000686700000000,  0.0001085100000000 ]  - [   0.0011503500000000, -0.0012165200000000,  0.0000741900000000 ]  - [  -0.0001020300000000,  0.0003350600000000, -0.0000695000000000 ]  - [   0.0008563600000000, -0.0005416300000000,  0.0005313200000000 ]  - [   0.0001534700000000,  0.0000376100000000,  0.0003519900000000 ]  - [  -0.0002209800000000, -0.0000169700000000, -0.0000291500000000 ]  - [  -0.0000055000000000, -0.0005886900000000,  0.0000097200000000 ]  - [   0.0005606700000000,  0.0007399800000000, -0.0013218300000000 ]  - [   0.0028146200000000,  0.0010483100000000,  0.0023150500000000 ]  - [  -0.0001214200000000,  0.0006121000000000,  0.0005750800000000 ]  - [  -0.0094395500000000, -0.0058861000000000,  0.0044385700000000 ]  - [  -0.0007888300000000,  0.0008885300000000,  0.0006336500000000 ]  - [  -0.0008324300000000, -0.0002724300000000, -0.0009106100000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001796100000000,  0.0008232100000000,  0.0025939400000000 ]  - [  -0.0003745300000000, -0.0011853800000000,  0.0001426200000000 ]  - [  -0.0041012300000000,  0.0006245200000000, -0.0007820000000000 ]  - [  -0.0005902300000000, -0.0003305000000000,  0.0001834500000000 ]  - [   0.0042753600000000,  0.0071322100000000,  0.0003926400000000 ]  - [  -0.0001066300000000,  0.0000340300000000, -0.0006377100000000 ]  - [   0.0035470200000000, -0.0017047400000000,  0.0025166200000000 ]  - [   0.0005367300000000,  0.0002445200000000, -0.0002004000000000 ]  - [   0.0011085600000000, -0.0002909900000000, -0.0002928300000000 ]  - [   0.0002652900000000, -0.0000047200000000, -0.0001998100000000 ]  - [   0.0014021700000000,  0.0000724300000000, -0.0016870300000000 ]  - [   0.0002601700000000, -0.0011852100000000,  0.0007807200000000 ]  - [  -0.1102119500000000, -0.0023221300000000, -0.0037802900000000 ]  - [  -0.0006369500000000, -0.0006109200000000, -0.0003150500000000 ]  - [   0.0000852200000000, -0.0001451200000000,  0.0000533900000000 ]  - [  -0.0010087200000000, -0.0001067300000000,  0.0000486700000000 ]  - [  -0.0058134100000000,  0.0043133200000000,  0.0016546800000000 ]  - [  -0.0014495800000000,  0.0021764700000000, -0.0005695900000000 ]  - [  -0.0006100000000000, -0.0011545800000000, -0.0005088100000000 ]  - [   0.0000623800000000,  0.0000600900000000, -0.0001564000000000 ]  - [   0.0063894500000000, -0.0005026100000000, -0.0137363700000000 ]  - [   0.0000424600000000,  0.0004414300000000,  0.0001323400000000 ]  - [  -0.0003726500000000, -0.0011404800000000,  0.0009506300000000 ]  - [   0.0001607600000000, -0.0000533600000000, -0.0003129600000000 ]  - [   0.0023426900000000,  0.0013191000000000, -0.0010557100000000 ]  - [   0.0002216400000000, -0.0002252300000000,  0.0001803200000000 ]  - [   0.0007318500000000, -0.0001942700000000,  0.0003681500000000 ]  - [   0.0004693500000000,  0.0001949100000000,  0.0000464700000000 ]  - [   0.0003820500000000, -0.0002013200000000,  0.0001492600000000 ]  - [   0.0037227500000000, -0.0009571300000000,  0.0000349800000000 ]  - [   0.0004495000000000, -0.0001113500000000,  0.0000767700000000 ]  - [   0.0007677500000000,  0.0011256800000000, -0.0002762900000000 ]  - [   0.0105409600000000,  0.0014376900000000,  0.0014339300000000 ]  - [   0.0002829600000000, -0.0000185700000000,  0.0000818400000000 ]  - [  -0.0003619600000000,  0.0010860100000000,  0.0001290400000000 ]  - [   0.0003181300000000, -0.0000410900000000, -0.0002649800000000 ]  - [   0.0247751700000000,  0.0234747900000000,  0.0163342100000000 ]  - [  -0.0005427600000000,  0.0007456500000000, -0.0002162400000000 ]  - [   0.0005237200000000,  0.0002873800000000,  0.0006927300000000 ]  - [   0.0136197900000000, -0.0061125400000000, -0.0178819200000000 ]  - [   0.0052226900000000, -0.0026413800000000, -0.0007112300000000 ]  - [   0.0004705800000000, -0.0008751000000000,  0.0024038100000000 ]  - [   0.0009139400000000,  0.0002794000000000, -0.0001368000000000 ]  - [   0.0005119700000000,  0.0002359200000000,  0.0002205400000000 ]  - [   0.0001405900000000,  0.0001125400000000, -0.0001454300000000 ]  - [   0.0000885100000000,  0.0002167600000000, -0.0003929900000000 ]  - [   0.0006809000000000, -0.0002793900000000, -0.0009433500000000 ]  - [   0.0015671900000000, -0.0007786200000000, -0.0007185400000000 ]  - [   0.0003785100000000,  0.0010990600000000,  0.0021818300000000 ]  - [   0.0001514600000000, -0.0001093700000000, -0.0004401900000000 ]  - [   0.0546711900000000, -0.0223709000000000,  0.0072298800000000 ]  - [   0.0013436800000000,  0.0002356700000000, -0.0004949100000000 ]  - [  -0.0008795300000000, -0.0017799400000000,  0.0024259500000000 ]  - [   0.0014496500000000, -0.0005191600000000, -0.0008244000000000 ]  - [   0.0003693700000000,  0.0019139000000000, -0.0001277700000000 ]  - [   0.0000786900000000,  0.0002718100000000,  0.0001873400000000 ]  - [   0.0003584600000000,  0.0004875400000000,  0.0000310400000000 ]  - [   0.0001560700000000,  0.0001006700000000,  0.0002686800000000 ]  - [  -0.0005407400000000, -0.0005357700000000, -0.0001325800000000 ]  - [  -0.0002329700000000,  0.0002683400000000, -0.0001984300000000 ]  - [  -0.0035399500000000, -0.0005193100000000,  0.0024754200000000 ]  - [  -0.0003251200000000,  0.0000125000000000,  0.0000914700000000 ]  - [  -0.0016032400000000, -0.0003699800000000,  0.0000227400000000 ]  - [  -0.0012334900000000,  0.0004824400000000,  0.0006458100000000 ]  - [  -0.0012770900000000, -0.0002262000000000, -0.0006076600000000 ]  - [  -0.0005348500000000,  0.0004203100000000, -0.0009867200000000 ]  - [  -0.0001287800000000, -0.0001240500000000,  0.0001035400000000 ]  - [  -0.0002388700000000,  0.0002392400000000,  0.0000068900000000 ]  - [  -0.0011867100000000, -0.0005101000000000,  0.0001975600000000 ]  - [  -0.0010472400000000,  0.0002645400000000,  0.0004094000000000 ]  - [  -0.0006132700000000,  0.0005876900000000,  0.0000673500000000 ]  - [  -0.0001494400000000, -0.0007058400000000,  0.0002679000000000 ]  - [  -0.0021414900000000, -0.0012530500000000,  0.0007321900000000 ]  - [  -0.0003745100000000, -0.0000030000000000,  0.0002399600000000 ]  - [  -0.0024231500000000,  0.0000177300000000, -0.0003787500000000 ]  - [  -0.0001375300000000,  0.0000087700000000,  0.0003807400000000 ]  - [   0.0001017900000000,  0.0004093400000000, -0.0000365900000000 ]  - [  -0.0028500600000000,  0.0017604500000000,  0.0001531400000000 ]  - [  -0.0000860300000000, -0.0000938400000000,  0.0000022200000000 ]  - [  -0.0006727500000000, -0.0013750100000000,  0.0000469800000000 ]  - [   0.0004361100000000,  0.0000648200000000, -0.0003576500000000 ]  - [   0.0001917400000000, -0.0003832600000000, -0.0003094800000000 ]  - [   0.0010847000000000, -0.0012438900000000,  0.0008018300000000 ]  - [   0.0009253800000000,  0.0002132600000000,  0.0002461900000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002161700000000, -0.0008450400000000, -0.0027220100000000 ]  - [   0.0003693200000000,  0.0012199100000000, -0.0001494100000000 ]  - [   0.0038542300000000, -0.0004160800000000,  0.0011050700000000 ]  - [   0.0000807700000000,  0.0000055300000000,  0.0001627600000000 ]  - [  -0.0038957300000000, -0.0067374100000000, -0.0001485700000000 ]  - [   0.0004375000000000, -0.0003104700000000,  0.0010654900000000 ]  - [  -0.0034827500000000,  0.0016786100000000, -0.0024561900000000 ]  - [  -0.0005544500000000, -0.0003666200000000,  0.0002788900000000 ]  - [  -0.0013912700000000,  0.0007216200000000, -0.0001329700000000 ]  - [  -0.0005654000000000, -0.0001602500000000, -0.0000858600000000 ]  - [  -0.0010312300000000, -0.0004531700000000,  0.0014564500000000 ]  - [   0.0001466900000000,  0.0015501500000000, -0.0011726600000000 ]  - [   0.1073229200000000,  0.0045503900000000,  0.0044403600000000 ]  - [   0.0002482800000000,  0.0004749700000000,  0.0002322500000000 ]  - [  -0.0001979300000000, -0.0003180800000000,  0.0000833500000000 ]  - [   0.0008315100000000,  0.0006223900000000, -0.0000638600000000 ]  - [   0.0056815700000000, -0.0043303200000000, -0.0018704500000000 ]  - [   0.0015585500000000, -0.0020903400000000,  0.0000192000000000 ]  - [   0.0005574200000000,  0.0013442400000000,  0.0001717900000000 ]  - [   0.0001171500000000, -0.0000571000000000, -0.0003076000000000 ]  - [  -0.0062792500000000, -0.0000016800000000,  0.0136018400000000 ]  - [  -0.0000493000000000, -0.0001676200000000, -0.0000523400000000 ]  - [   0.0007364500000000,  0.0010767300000000, -0.0009749000000000 ]  - [   0.0003177400000000,  0.0000498800000000,  0.0003239100000000 ]  - [  -0.0028878800000000, -0.0014709200000000,  0.0009467000000000 ]  - [  -0.0006037700000000, -0.0000494800000000, -0.0001758100000000 ]  - [  -0.0008540000000000, -0.0003031700000000, -0.0005674200000000 ]  - [  -0.0003653300000000,  0.0002641700000000, -0.0000140600000000 ]  - [  -0.0005013900000000,  0.0001798700000000,  0.0003091400000000 ]  - [  -0.0037044500000000,  0.0010763200000000,  0.0003076800000000 ]  - [  -0.0002575700000000,  0.0001714700000000,  0.0002607400000000 ]  - [  -0.0006237800000000, -0.0010540900000000,  0.0006218500000000 ]  - [  -0.0106758000000000, -0.0019069800000000, -0.0015127200000000 ]  - [  -0.0000825400000000,  0.0003089100000000,  0.0000319200000000 ]  - [   0.0008619700000000, -0.0012426100000000, -0.0001412400000000 ]  - [   0.0000322000000000,  0.0000443900000000,  0.0003553000000000 ]  - [  -0.0249994700000000, -0.0245846500000000, -0.0172914300000000 ]  - [  -0.0000515700000000, -0.0000163000000000, -0.0004914000000000 ]  - [  -0.0009947700000000, -0.0006814100000000, -0.0001386500000000 ]  - [  -0.0141588900000000,  0.0068052400000000,  0.0171801900000000 ]  - [  -0.0052066300000000,  0.0015996200000000,  0.0010474100000000 ]  - [  -0.0006333100000000,  0.0009952300000000, -0.0019507300000000 ]  - [  -0.0004041200000000,  0.0002433900000000,  0.0000039000000000 ]  - [  -0.0000722800000000, -0.0003326100000000, -0.0002105700000000 ]  - [  -0.0007318300000000, -0.0002926700000000, -0.0001830500000000 ]  - [  -0.0005054000000000, -0.0001666500000000, -0.0002838800000000 ]  - [  -0.0001456500000000, -0.0001690800000000,  0.0004473400000000 ]  - [  -0.0011320500000000,  0.0003431200000000,  0.0002494600000000 ]  - [  -0.0011122500000000, -0.0015716300000000, -0.0029243900000000 ]  - [  -0.0005816800000000,  0.0002285400000000,  0.0000242600000000 ]  - [  -0.0523013700000000,  0.0211423600000000, -0.0070424200000000 ]  - [  -0.0003794100000000,  0.0000403500000000, -0.0001711200000000 ]  - [   0.0000871600000000,  0.0027690000000000, -0.0026736300000000 ]  - [  -0.0014660000000000,  0.0006143100000000,  0.0008378500000000 ]  - [  -0.0003569800000000, -0.0019852200000000,  0.0002075200000000 ]  - [  -0.0000420700000000,  0.0001736100000000,  0.0001030600000000 ]  - [   0.0002160400000000,  0.0000490100000000,  0.0002165200000000 ]  - [   0.0003100100000000, -0.0006009900000000, -0.0004206400000000 ]  - [   0.0009983700000000, -0.0001464600000000, -0.0004946700000000 ]  - [   0.0003042700000000,  0.0001758500000000, -0.0002827500000000 ]  - [   0.0039340700000000, -0.0000987600000000, -0.0019310300000000 ]  - [   0.0000856600000000,  0.0003549300000000,  0.0003235000000000 ]  - [   0.0012103300000000, -0.0000486200000000,  0.0001593300000000 ]  - [   0.0003839300000000,  0.0003444700000000, -0.0001132300000000 ]  - [   0.0012860800000000, -0.0001988900000000,  0.0004536500000000 ]  - [   0.0002149600000000,  0.0002526900000000, -0.0001332700000000 ]  - [   0.0004027500000000, -0.0001166900000000, -0.0000609600000000 ]  - [   0.0008575100000000,  0.0001436200000000,  0.0000542100000000 ]  - [   0.0003810600000000,  0.0002882900000000,  0.0003473100000000 ]  - [   0.0002928600000000, -0.0000507500000000,  0.0000780900000000 ]  - [   0.0010800800000000, -0.0008556500000000,  0.0003482900000000 ]  - [   0.0006645200000000,  0.0001670300000000,  0.0003729500000000 ]  - [   0.0016110900000000,  0.0008218500000000, -0.0002139000000000 ]  - [  -0.0001004600000000, -0.0000696300000000,  0.0002396800000000 ]  - [   0.0028108100000000, -0.0000762200000000,  0.0007310900000000 ]  - [   0.0003876700000000,  0.0000361800000000,  0.0001290300000000 ]  - [   0.0000168600000000, -0.0001970700000000, -0.0000123700000000 ]  - [   0.0023326500000000, -0.0012998100000000, -0.0000351300000000 ]  - [   0.0001428300000000,  0.0001549100000000, -0.0001965900000000 ]  - [   0.0005866400000000,  0.0013508700000000,  0.0001385400000000 ]  - [   0.0002502900000000,  0.0005303400000000,  0.0001649800000000 ]  - [   0.0002857700000000, -0.0000328700000000, -0.0001167000000000 ]  - [  -0.0008554600000000,  0.0004605000000000, -0.0001237200000000 ]  - [  -0.0002692600000000,  0.0004491800000000,  0.0004114500000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002327900000000,  0.0005681300000000,  0.0032640600000000 ]  - [  -0.0019047200000000,  0.0020244000000000,  0.0027227400000000 ]  - [  -0.0013564300000000,  0.0072166600000000, -0.0003879000000000 ]  - [  -0.0006955500000000,  0.0002904300000000, -0.0004361700000000 ]  - [   0.0070537500000000, -0.0006011600000000,  0.0017247800000000 ]  - [   0.0007212300000000, -0.0008041000000000,  0.0004217100000000 ]  - [  -0.0003112700000000,  0.0008976200000000, -0.0010624700000000 ]  - [   0.0007868700000000, -0.0000537200000000, -0.0001820900000000 ]  - [  -0.0001462800000000,  0.0012080100000000, -0.0000373300000000 ]  - [  -0.0000964500000000,  0.0000712400000000, -0.0002527900000000 ]  - [  -0.0003575600000000, -0.0009421400000000, -0.0010146600000000 ]  - [  -0.0028664100000000, -0.0009102800000000, -0.0015389100000000 ]  - [  -0.0034104400000000, -0.1328182500000000, -0.0111592000000000 ]  - [   0.0001054900000000,  0.0007897400000000, -0.0013278400000000 ]  - [  -0.0000875800000000,  0.0035564100000000, -0.0001805300000000 ]  - [   0.0006630300000000,  0.0008154600000000, -0.0004191900000000 ]  - [   0.0031720900000000, -0.0018521400000000, -0.0016017200000000 ]  - [   0.0064665500000000, -0.0026647200000000, -0.0138305700000000 ]  - [   0.0000006200000000,  0.0007462000000000, -0.0000923800000000 ]  - [   0.0000187800000000,  0.0011376400000000, -0.0001730400000000 ]  - [  -0.0017813700000000, -0.0017167300000000,  0.0064207100000000 ]  - [   0.0003530100000000, -0.0005028000000000, -0.0000249100000000 ]  - [   0.0013627500000000,  0.0010744700000000, -0.0002863900000000 ]  - [   0.0002500300000000,  0.0003266700000000, -0.0000144500000000 ]  - [   0.0011375800000000, -0.0020728000000000,  0.0000255900000000 ]  - [  -0.0003899700000000, -0.0003461900000000, -0.0000590500000000 ]  - [   0.0003962400000000,  0.0003253700000000,  0.0002916400000000 ]  - [   0.0004914300000000,  0.0004031700000000,  0.0000111200000000 ]  - [  -0.0003228300000000,  0.0000795300000000,  0.0008224700000000 ]  - [  -0.0001977200000000,  0.0003458400000000,  0.0001767800000000 ]  - [  -0.0001535500000000,  0.0003818900000000,  0.0001600900000000 ]  - [   0.0003872900000000,  0.0009059300000000,  0.0001051400000000 ]  - [   0.0093975300000000, -0.0058113100000000, -0.0031720300000000 ]  - [  -0.0003463900000000,  0.0000199800000000,  0.0000564800000000 ]  - [  -0.0009586200000000,  0.0021544000000000, -0.0002913200000000 ]  - [   0.0002015000000000,  0.0000672900000000, -0.0003416200000000 ]  - [   0.0225481800000000,  0.0387602000000000,  0.0240407300000000 ]  - [  -0.0001857700000000,  0.0001061300000000,  0.0002418200000000 ]  - [   0.0002143600000000,  0.0008686300000000,  0.0026772200000000 ]  - [  -0.0060480700000000,  0.0096706200000000,  0.0137394600000000 ]  - [  -0.0029318400000000,  0.0682804900000000, -0.0180500400000000 ]  - [  -0.0007121300000000,  0.0010421400000000, -0.0011495600000000 ]  - [   0.0003893100000000, -0.0017785800000000,  0.0000203000000000 ]  - [   0.0003658000000000, -0.0004643400000000,  0.0001207700000000 ]  - [  -0.0004449000000000, -0.0021475000000000, -0.0007686700000000 ]  - [   0.0002075700000000, -0.0003943000000000, -0.0003912000000000 ]  - [  -0.0010595000000000, -0.0029753300000000,  0.0030965000000000 ]  - [  -0.0001165100000000,  0.0002777500000000,  0.0011076900000000 ]  - [   0.0002912100000000, -0.0003919200000000, -0.0013012100000000 ]  - [  -0.0004584900000000, -0.0003611400000000, -0.0003663000000000 ]  - [  -0.0215709700000000,  0.0143367000000000, -0.0042688000000000 ]  - [  -0.0003261900000000,  0.0001731100000000, -0.0002947400000000 ]  - [  -0.0029081000000000,  0.0026670200000000,  0.0004328700000000 ]  - [  -0.0008800600000000,  0.0010747800000000,  0.0003543600000000 ]  - [   0.0000108800000000, -0.0010258900000000, -0.0000123300000000 ]  - [  -0.0000877600000000,  0.0001312700000000, -0.0000148700000000 ]  - [  -0.0003036600000000, -0.0002766500000000, -0.0002096800000000 ]  - [  -0.0000618600000000, -0.0007396100000000, -0.0006269400000000 ]  - [  -0.0001071500000000, -0.0004055500000000, -0.0002659000000000 ]  - [  -0.0000097900000000, -0.0001200000000000, -0.0000542000000000 ]  - [   0.0008146100000000, -0.0000231400000000, -0.0012140000000000 ]  - [  -0.0005379000000000,  0.0001423800000000,  0.0001952100000000 ]  - [   0.0001567100000000,  0.0004498200000000,  0.0000625100000000 ]  - [  -0.0009172400000000,  0.0008515900000000, -0.0002467400000000 ]  - [   0.0000467500000000,  0.0000968800000000,  0.0003098000000000 ]  - [   0.0002602600000000,  0.0005006600000000, -0.0001165300000000 ]  - [   0.0004249000000000, -0.0001946900000000, -0.0000118900000000 ]  - [   0.0001651400000000, -0.0007482700000000, -0.0001161200000000 ]  - [   0.0004102500000000, -0.0005506200000000,  0.0003874300000000 ]  - [   0.0002340600000000, -0.0001933900000000,  0.0006292800000000 ]  - [   0.0001250600000000,  0.0000534700000000, -0.0000499600000000 ]  - [   0.0001637400000000,  0.0000935700000000, -0.0001782700000000 ]  - [  -0.0023489700000000, -0.0004827800000000,  0.0011964700000000 ]  - [  -0.0000419700000000, -0.0001726600000000,  0.0001145900000000 ]  - [  -0.0033083900000000,  0.0018610700000000, -0.0002821200000000 ]  - [  -0.0000385300000000,  0.0000373500000000,  0.0005799500000000 ]  - [   0.0001439700000000,  0.0007414400000000, -0.0003180100000000 ]  - [  -0.0008861100000000,  0.0013911700000000,  0.0005550500000000 ]  - [   0.0000761200000000,  0.0002021100000000,  0.0001122300000000 ]  - [   0.0001909400000000, -0.0019303100000000, -0.0002034100000000 ]  - [   0.0001568900000000, -0.0003050200000000,  0.0004317000000000 ]  - [  -0.0001340700000000, -0.0007961800000000,  0.0006071900000000 ]  - [   0.0014030300000000, -0.0015747900000000,  0.0009612000000000 ]  - [   0.0002763600000000, -0.0000678000000000,  0.0002204100000000 ]- atom:   13  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002008900000000, -0.0005147900000000, -0.0032943800000000 ]  - [   0.0018900600000000, -0.0020113700000000, -0.0027052000000000 ]  - [   0.0008990300000000, -0.0068291500000000,  0.0008132300000000 ]  - [   0.0001157900000000, -0.0009025300000000,  0.0009279800000000 ]  - [  -0.0064821700000000,  0.0011690600000000, -0.0012695000000000 ]  - [  -0.0002673200000000,  0.0003847600000000, -0.0000221600000000 ]  - [   0.0002999700000000, -0.0009079300000000,  0.0011052200000000 ]  - [  -0.0007608200000000,  0.0000133400000000,  0.0001852100000000 ]  - [  -0.0003711800000000, -0.0006573500000000, -0.0005390500000000 ]  - [  -0.0003562200000000, -0.0004668000000000, -0.0001184500000000 ]  - [   0.0008987500000000,  0.0004465700000000,  0.0006538300000000 ]  - [   0.0033950300000000,  0.0014225100000000,  0.0010072800000000 ]  - [   0.0034154500000000,  0.1311348200000000,  0.0135766300000000 ]  - [  -0.0007862700000000, -0.0011052200000000,  0.0011452400000000 ]  - [   0.0001893700000000, -0.0039971800000000,  0.0002187100000000 ]  - [  -0.0004824400000000, -0.0003254300000000,  0.0003682400000000 ]  - [  -0.0031648500000000,  0.0022105400000000,  0.0011746400000000 ]  - [  -0.0064699600000000,  0.0022665300000000,  0.0132875600000000 ]  - [  -0.0000727200000000, -0.0010352000000000, -0.0003616300000000 ]  - [  -0.0000140200000000, -0.0007803300000000, -0.0003404800000000 ]  - [   0.0016596000000000,  0.0012603400000000, -0.0064738800000000 ]  - [  -0.0004372400000000,  0.0008545200000000,  0.0000724700000000 ]  - [  -0.0007718800000000, -0.0008480500000000,  0.0002109300000000 ]  - [   0.0003606200000000, -0.0005466500000000, -0.0000602300000000 ]  - [  -0.0017761500000000,  0.0023802400000000,  0.0000090200000000 ]  - [  -0.0002564100000000,  0.0000763600000000,  0.0001222800000000 ]  - [  -0.0002828400000000, -0.0008065600000000, -0.0003485500000000 ]  - [  -0.0002150900000000,  0.0000481100000000,  0.0000535600000000 ]  - [   0.0003444600000000,  0.0002857500000000, -0.0002567900000000 ]  - [   0.0002185200000000, -0.0006353600000000,  0.0002296700000000 ]  - [   0.0000534900000000, -0.0001086100000000,  0.0002907500000000 ]  - [  -0.0003661400000000, -0.0011829300000000,  0.0003640800000000 ]  - [  -0.0095452900000000,  0.0053969700000000,  0.0031678400000000 ]  - [   0.0002815300000000,  0.0004185200000000, -0.0000120300000000 ]  - [   0.0015577600000000, -0.0019393100000000,  0.0004255000000000 ]  - [   0.0003500000000000, -0.0003211400000000,  0.0004277000000000 ]  - [  -0.0238257700000000, -0.0398568400000000, -0.0253790700000000 ]  - [  -0.0002908900000000,  0.0002614100000000, -0.0007834000000000 ]  - [  -0.0004795800000000, -0.0012656400000000, -0.0029203000000000 ]  - [   0.0057486400000000, -0.0093552500000000, -0.0144366900000000 ]  - [   0.0029602900000000, -0.0659402000000000,  0.0168252600000000 ]  - [   0.0007360800000000, -0.0005065700000000,  0.0012600200000000 ]  - [   0.0002007200000000,  0.0016882700000000,  0.0000516500000000 ]  - [   0.0001785100000000,  0.0005760700000000, -0.0000423000000000 ]  - [   0.0005036700000000,  0.0021319400000000,  0.0001199400000000 ]  - [  -0.0000962800000000,  0.0003514600000000, -0.0002877300000000 ]  - [   0.0015660300000000,  0.0027102400000000, -0.0033565500000000 ]  - [   0.0005742000000000, -0.0002448700000000, -0.0014076800000000 ]  - [  -0.0007436900000000,  0.0002940500000000,  0.0010811100000000 ]  - [   0.0000042600000000,  0.0005267800000000,  0.0001985600000000 ]  - [   0.0217027900000000, -0.0142815300000000,  0.0036197600000000 ]  - [   0.0004117400000000, -0.0001140300000000, -0.0004472000000000 ]  - [   0.0022658700000000, -0.0027775600000000, -0.0003505100000000 ]  - [   0.0004005200000000, -0.0008524200000000, -0.0002376600000000 ]  - [  -0.0000246800000000,  0.0003885200000000,  0.0000588200000000 ]  - [   0.0000795600000000,  0.0005875900000000,  0.0001011900000000 ]  - [   0.0005921100000000,  0.0006940400000000, -0.0000967500000000 ]  - [   0.0003475100000000,  0.0002834600000000,  0.0001099400000000 ]  - [   0.0004873700000000,  0.0001204100000000, -0.0002416200000000 ]  - [   0.0001546600000000,  0.0004060300000000, -0.0003746000000000 ]  - [  -0.0012260200000000, -0.0003067900000000,  0.0017004200000000 ]  - [   0.0001759300000000,  0.0001543000000000,  0.0002684100000000 ]  - [  -0.0003511000000000, -0.0008440200000000,  0.0002872200000000 ]  - [   0.0005502700000000, -0.0003698000000000,  0.0007090100000000 ]  - [  -0.0000016000000000, -0.0007582500000000, -0.0003146400000000 ]  - [  -0.0002756400000000,  0.0000734300000000, -0.0000554200000000 ]  - [   0.0001742900000000,  0.0001649000000000, -0.0000573100000000 ]  - [   0.0004602800000000,  0.0006343300000000,  0.0000756600000000 ]  - [  -0.0003743400000000,  0.0005500000000000,  0.0002753700000000 ]  - [  -0.0001744800000000,  0.0001991100000000, -0.0000494700000000 ]  - [   0.0003215700000000, -0.0002589300000000,  0.0003040000000000 ]  - [   0.0004027100000000,  0.0000390400000000,  0.0005027600000000 ]  - [   0.0018875900000000,  0.0002267500000000, -0.0009856900000000 ]  - [  -0.0003803300000000,  0.0002466900000000,  0.0000948900000000 ]  - [   0.0032578200000000, -0.0019052800000000,  0.0009690000000000 ]  - [  -0.0000310500000000, -0.0000686200000000,  0.0001578900000000 ]  - [  -0.0005581200000000, -0.0004900300000000,  0.0001644400000000 ]  - [   0.0001687800000000, -0.0014686700000000, -0.0005834400000000 ]  - [  -0.0001304400000000,  0.0004681600000000, -0.0001647900000000 ]  - [  -0.0002275500000000,  0.0012903400000000,  0.0001730900000000 ]  - [   0.0001232400000000,  0.0007576000000000, -0.0000352300000000 ]  - [   0.0003942500000000,  0.0003595300000000, -0.0003248500000000 ]  - [  -0.0010640300000000,  0.0012600300000000, -0.0005165800000000 ]  - [   0.0001730400000000,  0.0003737800000000,  0.0003058200000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0001238200000000,  0.0001394300000000,  0.0023196600000000 ]  - [  -0.0005101200000000,  0.0032960200000000, -0.0028495800000000 ]  - [  -0.0015563600000000,  0.0008636300000000, -0.0021384100000000 ]  - [  -0.0002681300000000, -0.0000296000000000,  0.0010123500000000 ]  - [  -0.0003900600000000,  0.0011867700000000, -0.0023311100000000 ]  - [   0.0009029200000000, -0.0003483500000000,  0.0017494200000000 ]  - [   0.0003215600000000,  0.0001945900000000, -0.0011696200000000 ]  - [  -0.0000772000000000,  0.0000176000000000,  0.0006298600000000 ]  - [   0.0002203200000000,  0.0001363300000000,  0.0000436500000000 ]  - [  -0.0002344400000000,  0.0000733600000000, -0.0004940900000000 ]  - [  -0.0047503900000000, -0.0022780500000000,  0.0010407400000000 ]  - [   0.0018109000000000, -0.0003836200000000,  0.0008936500000000 ]  - [  -0.0036877500000000, -0.0126108700000000, -0.1094057000000000 ]  - [  -0.0005265300000000,  0.0010981900000000,  0.0031352900000000 ]  - [  -0.0002498200000000, -0.0013785300000000,  0.0007016600000000 ]  - [  -0.0007990100000000, -0.0007515000000000,  0.0012110600000000 ]  - [   0.0095802200000000, -0.0072402700000000,  0.0104309500000000 ]  - [  -0.0016422600000000, -0.0033854300000000,  0.0060251200000000 ]  - [  -0.0004673800000000,  0.0002055600000000, -0.0002192900000000 ]  - [   0.0002633600000000,  0.0007678000000000, -0.0001806000000000 ]  - [  -0.0033940500000000,  0.0017849300000000, -0.0022089800000000 ]  - [   0.0002198000000000,  0.0016372100000000,  0.0010814500000000 ]  - [  -0.0006975900000000, -0.0001702900000000, -0.0004324200000000 ]  - [   0.0006110200000000, -0.0000786800000000,  0.0004919700000000 ]  - [   0.0006646800000000,  0.0000542400000000, -0.0002239000000000 ]  - [  -0.0004746000000000, -0.0001699800000000, -0.0006314300000000 ]  - [  -0.0000730100000000, -0.0001382900000000, -0.0003588800000000 ]  - [   0.0003005100000000,  0.0001066200000000,  0.0000736700000000 ]  - [  -0.0002501500000000, -0.0000534100000000,  0.0011311500000000 ]  - [   0.0002077300000000,  0.0002482900000000,  0.0004686400000000 ]  - [   0.0001943700000000,  0.0003050300000000,  0.0006386800000000 ]  - [   0.0004544300000000,  0.0008151800000000, -0.0005632200000000 ]  - [   0.0072134300000000, -0.0046272600000000, -0.0022478900000000 ]  - [  -0.0007380700000000,  0.0003479100000000,  0.0007517900000000 ]  - [   0.0004281600000000,  0.0004693900000000,  0.0011236400000000 ]  - [  -0.0000717500000000, -0.0004594000000000, -0.0007896900000000 ]  - [   0.0158825700000000,  0.0256599800000000,  0.0243482300000000 ]  - [   0.0001683100000000, -0.0004666700000000, -0.0018771700000000 ]  - [   0.0001260600000000, -0.0002541800000000, -0.0028007300000000 ]  - [  -0.0174347500000000,  0.0146996200000000,  0.0572177500000000 ]  - [  -0.0001856200000000, -0.0186534300000000,  0.0124367500000000 ]  - [  -0.0003713800000000,  0.0007461200000000, -0.0043173800000000 ]  - [   0.0005667100000000,  0.0000623400000000, -0.0001843300000000 ]  - [   0.0004736800000000,  0.0003178100000000,  0.0000664000000000 ]  - [   0.0008357900000000,  0.0010017200000000, -0.0000077400000000 ]  - [  -0.0001958300000000,  0.0002240700000000, -0.0008517200000000 ]  - [   0.0003022200000000,  0.0001823400000000, -0.0007018700000000 ]  - [  -0.0008995800000000,  0.0029342700000000, -0.0007322000000000 ]  - [   0.0004404600000000, -0.0003318100000000, -0.0003148000000000 ]  - [  -0.0004955300000000, -0.0009154200000000, -0.0001512300000000 ]  - [   0.0065966800000000, -0.0035117000000000,  0.0093615300000000 ]  - [  -0.0000554800000000, -0.0003919900000000, -0.0011186300000000 ]  - [   0.0009095500000000, -0.0003590700000000, -0.0005379000000000 ]  - [  -0.0032727900000000, -0.0001312800000000, -0.0011814200000000 ]  - [   0.0002973900000000,  0.0000169500000000, -0.0000956400000000 ]  - [  -0.0001565700000000,  0.0001843000000000, -0.0002171200000000 ]  - [   0.0000257900000000,  0.0000562000000000,  0.0005139900000000 ]  - [   0.0001837600000000, -0.0003543100000000, -0.0005200000000000 ]  - [   0.0001939100000000, -0.0000727100000000, -0.0000739800000000 ]  - [  -0.0002228100000000,  0.0003175800000000, -0.0003467300000000 ]  - [  -0.0018072200000000, -0.0001858400000000,  0.0012735200000000 ]  - [  -0.0001616200000000, -0.0001896800000000,  0.0000519000000000 ]  - [  -0.0001026300000000, -0.0003685400000000,  0.0007400200000000 ]  - [  -0.0003780300000000,  0.0001843100000000, -0.0006124500000000 ]  - [   0.0002194000000000, -0.0004431300000000,  0.0004370900000000 ]  - [   0.0003794600000000,  0.0003295700000000, -0.0005755700000000 ]  - [   0.0002213300000000, -0.0000760100000000, -0.0001251300000000 ]  - [   0.0001999400000000, -0.0000510900000000,  0.0001512900000000 ]  - [  -0.0006926200000000, -0.0003660700000000,  0.0000911500000000 ]  - [   0.0001999100000000,  0.0000964600000000,  0.0005594400000000 ]  - [   0.0001753400000000, -0.0000839800000000,  0.0003939400000000 ]  - [   0.0002038800000000,  0.0001465600000000, -0.0001219300000000 ]  - [  -0.0021859400000000, -0.0001314000000000,  0.0019781200000000 ]  - [  -0.0000238600000000, -0.0001364700000000, -0.0003302800000000 ]  - [  -0.0020540700000000,  0.0006358400000000, -0.0000727400000000 ]  - [   0.0008847100000000, -0.0002945400000000,  0.0002531000000000 ]  - [  -0.0000720600000000, -0.0000472500000000, -0.0008219100000000 ]  - [  -0.0010764700000000,  0.0008704500000000,  0.0007631500000000 ]  - [   0.0000705400000000,  0.0002878700000000, -0.0000953900000000 ]  - [  -0.0005399000000000, -0.0013264300000000, -0.0004956400000000 ]  - [   0.0001565600000000,  0.0000931700000000, -0.0006796400000000 ]  - [   0.0001930700000000, -0.0005289100000000,  0.0008122700000000 ]  - [  -0.0002190000000000,  0.0002173400000000, -0.0001962300000000 ]  - [   0.0002858500000000,  0.0007625000000000, -0.0000017000000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0001006600000000, -0.0001493600000000, -0.0023514300000000 ]  - [   0.0005036800000000, -0.0032809000000000,  0.0028526100000000 ]  - [   0.0010999700000000, -0.0003972500000000,  0.0026118100000000 ]  - [  -0.0002100700000000, -0.0004044500000000, -0.0005631300000000 ]  - [   0.0008507700000000, -0.0007594400000000,  0.0027724200000000 ]  - [  -0.0004294700000000, -0.0001185200000000, -0.0013056300000000 ]  - [  -0.0003287500000000, -0.0001878600000000,  0.0011985200000000 ]  - [   0.0001084500000000, -0.0000173900000000, -0.0006144600000000 ]  - [  -0.0006717100000000,  0.0003490700000000, -0.0005030400000000 ]  - [  -0.0002530500000000, -0.0005362200000000,  0.0000360700000000 ]  - [   0.0052470700000000,  0.0018328600000000, -0.0014859200000000 ]  - [  -0.0013648000000000,  0.0008597900000000, -0.0013387800000000 ]  - [   0.0048090300000000,  0.0120951900000000,  0.1063591300000000 ]  - [  -0.0000119900000000, -0.0011646400000000, -0.0031437300000000 ]  - [   0.0002620300000000,  0.0007818400000000, -0.0006249700000000 ]  - [   0.0008256200000000,  0.0013337600000000, -0.0011374400000000 ]  - [  -0.0094762500000000,  0.0072132500000000, -0.0108757000000000 ]  - [   0.0017150100000000,  0.0034428800000000, -0.0065875100000000 ]  - [   0.0004055200000000, -0.0002039300000000, -0.0003326600000000 ]  - [  -0.0003308500000000, -0.0007683900000000, -0.0003443600000000 ]  - [   0.0034100100000000, -0.0023602600000000,  0.0022893800000000 ]  - [  -0.0002041000000000, -0.0010912400000000, -0.0010188100000000 ]  - [   0.0012171500000000,  0.0001949300000000,  0.0004139600000000 ]  - [  -0.0000845200000000,  0.0000730600000000, -0.0005269500000000 ]  - [  -0.0012197100000000, -0.0000015400000000,  0.0002715000000000 ]  - [  -0.0000671000000000,  0.0001374200000000,  0.0006364300000000 ]  - [   0.0000898800000000, -0.0004575500000000,  0.0002672300000000 ]  - [  -0.0003324400000000,  0.0004492800000000, -0.0001560600000000 ]  - [   0.0003276500000000,  0.0000576300000000, -0.0005818500000000 ]  - [  -0.0001654300000000, -0.0002283500000000,  0.0000763100000000 ]  - [  -0.0002462100000000, -0.0003299400000000, -0.0000935500000000 ]  - [  -0.0005072800000000, -0.0008312400000000,  0.0010897100000000 ]  - [  -0.0072088200000000,  0.0040855900000000,  0.0021532600000000 ]  - [   0.0007215700000000,  0.0002138000000000, -0.0007989600000000 ]  - [   0.0000970600000000, -0.0004329900000000, -0.0010876100000000 ]  - [   0.0006112200000000,  0.0004432900000000,  0.0008008400000000 ]  - [  -0.0164610800000000, -0.0266364500000000, -0.0249577400000000 ]  - [  -0.0002339400000000,  0.0009029700000000,  0.0013663600000000 ]  - [  -0.0006270200000000, -0.0003107100000000,  0.0025766200000000 ]  - [   0.0160090000000000, -0.0134546700000000, -0.0545871200000000 ]  - [   0.0001918700000000,  0.0182878900000000, -0.0121432500000000 ]  - [   0.0003736100000000, -0.0001930600000000,  0.0045513100000000 ]  - [  -0.0000111000000000,  0.0001529600000000,  0.0001907800000000 ]  - [   0.0001043800000000, -0.0005850500000000, -0.0000782600000000 ]  - [  -0.0009627000000000, -0.0009742800000000, -0.0004832200000000 ]  - [   0.0000281800000000, -0.0002354700000000,  0.0004012700000000 ]  - [   0.0002485000000000, -0.0002800300000000,  0.0002046600000000 ]  - [   0.0014539800000000, -0.0027344100000000,  0.0002195800000000 ]  - [  -0.0010029800000000,  0.0000904600000000, -0.0001745700000000 ]  - [  -0.0000654400000000,  0.0011597800000000, -0.0003431200000000 ]  - [  -0.0068057900000000,  0.0036700700000000, -0.0098557200000000 ]  - [   0.0001306900000000,  0.0003505700000000,  0.0006697000000000 ]  - [  -0.0013754300000000,  0.0005536700000000,  0.0005388300000000 ]  - [   0.0027472500000000, -0.0000573700000000,  0.0011760600000000 ]  - [  -0.0003317300000000, -0.0005350100000000,  0.0002185700000000 ]  - [   0.0001089400000000,  0.0002771700000000,  0.0002788000000000 ]  - [   0.0004067400000000,  0.0004649700000000, -0.0006306300000000 ]  - [   0.0002749700000000, -0.0001662400000000,  0.0004671700000000 ]  - [  -0.0001247200000000, -0.0003849200000000, -0.0004430000000000 ]  - [   0.0003539200000000,  0.0001843100000000, -0.0002095300000000 ]  - [   0.0017257100000000, -0.0002816600000000, -0.0007463200000000 ]  - [   0.0000901400000000,  0.0006471700000000,  0.0004744900000000 ]  - [  -0.0003690700000000, -0.0001705300000000, -0.0005559600000000 ]  - [  -0.0000863700000000,  0.0003536500000000,  0.0007367500000000 ]  - [  -0.0001976300000000, -0.0000737400000000, -0.0005805500000000 ]  - [  -0.0003717400000000,  0.0001998700000000,  0.0004084200000000 ]  - [   0.0002935500000000, -0.0001300900000000,  0.0001361100000000 ]  - [   0.0003607100000000,  0.0003190800000000, -0.0001244100000000 ]  - [   0.0005403100000000,  0.0003775100000000,  0.0003832000000000 ]  - [  -0.0003571800000000, -0.0001061500000000, -0.0000964300000000 ]  - [   0.0003853500000000, -0.0001194500000000,  0.0001153800000000 ]  - [   0.0003771300000000,  0.0000412200000000,  0.0006379800000000 ]  - [   0.0016735000000000, -0.0000466900000000, -0.0015278600000000 ]  - [  -0.0005252500000000,  0.0003269300000000,  0.0008238900000000 ]  - [   0.0022387400000000, -0.0006224600000000,  0.0006224000000000 ]  - [  -0.0007699000000000,  0.0002645400000000,  0.0002149400000000 ]  - [  -0.0004505100000000, -0.0001625300000000,  0.0008281700000000 ]  - [   0.0005798800000000, -0.0007461000000000, -0.0007810000000000 ]  - [  -0.0000867600000000,  0.0001916100000000, -0.0000336100000000 ]  - [   0.0004971400000000,  0.0008338800000000,  0.0004037900000000 ]  - [   0.0003220400000000,  0.0004578900000000,  0.0007886000000000 ]  - [   0.0002548200000000,  0.0000175300000000, -0.0007204200000000 ]  - [   0.0003572900000000, -0.0006833600000000,  0.0007339300000000 ]  - [  -0.0002018200000000, -0.0002774100000000,  0.0005483600000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0019602400000000,  0.0000640800000000, -0.0000429900000000 ]  - [   0.0012568000000000, -0.0001816700000000, -0.0000662800000000 ]  - [   0.0034832600000000, -0.0039089900000000,  0.0034439000000000 ]  - [   0.0001010200000000, -0.0001821000000000,  0.0003800900000000 ]  - [  -0.0013940700000000, -0.0012952300000000,  0.0000483000000000 ]  - [  -0.0004210700000000, -0.0004802800000000,  0.0005260500000000 ]  - [  -0.0027728400000000,  0.0006684100000000, -0.0003768800000000 ]  - [  -0.0007211000000000,  0.0001294500000000,  0.0000165200000000 ]  - [  -0.0013618100000000, -0.0001656500000000, -0.0004148800000000 ]  - [  -0.0005954800000000, -0.0003960100000000, -0.0000554300000000 ]  - [   0.0013138700000000,  0.0001711200000000,  0.0007505000000000 ]  - [   0.0012467600000000,  0.0016073200000000, -0.0008632300000000 ]  - [   0.0246249700000000,  0.0236359000000000,  0.0164054200000000 ]  - [  -0.0002811600000000, -0.0001175700000000,  0.0003812600000000 ]  - [   0.0007124300000000, -0.0002188800000000,  0.0001088500000000 ]  - [   0.0007693900000000,  0.0005457800000000, -0.0004265000000000 ]  - [  -0.0003234200000000, -0.0000636000000000, -0.0012541800000000 ]  - [  -0.0004193500000000, -0.0002263400000000,  0.0011716300000000 ]  - [  -0.0004469300000000,  0.0010536000000000, -0.0001937400000000 ]  - [  -0.0002894400000000, -0.0003807200000000, -0.0004522000000000 ]  - [  -0.0026737300000000, -0.0001976600000000,  0.0028323600000000 ]  - [  -0.0005197600000000,  0.0000536200000000, -0.0002978100000000 ]  - [  -0.0006598800000000,  0.0003330900000000, -0.0000803900000000 ]  - [   0.0000105600000000,  0.0000467600000000,  0.0002785800000000 ]  - [  -0.0043687300000000,  0.0011033100000000,  0.0016906700000000 ]  - [  -0.0004257200000000,  0.0003191200000000,  0.0000275700000000 ]  - [  -0.0006310900000000, -0.0004907000000000, -0.0004771900000000 ]  - [  -0.0008137300000000,  0.0002662700000000,  0.0001103700000000 ]  - [   0.0001362400000000, -0.0001057000000000, -0.0004868800000000 ]  - [  -0.0028006200000000,  0.0002994700000000,  0.0003151100000000 ]  - [   0.0000716000000000,  0.0000035300000000,  0.0002522300000000 ]  - [   0.0003225900000000, -0.0028523500000000,  0.0000657500000000 ]  - [   0.0546262900000000, -0.0170531300000000, -0.0138195100000000 ]  - [   0.0005434900000000,  0.0006062300000000,  0.0000448600000000 ]  - [   0.0011650300000000, -0.0011743000000000, -0.0004418900000000 ]  - [   0.0006597300000000, -0.0000012600000000,  0.0001915400000000 ]  - [  -0.1163558700000000, -0.0051631700000000, -0.0122930200000000 ]  - [  -0.0001086000000000,  0.0004599500000000, -0.0003455300000000 ]  - [  -0.0008794300000000, -0.0004093700000000, -0.0007515800000000 ]  - [  -0.0009233700000000,  0.0012690300000000,  0.0017157700000000 ]  - [   0.0001387400000000,  0.0033814100000000,  0.0007887500000000 ]  - [  -0.0000462900000000,  0.0001971800000000,  0.0005102400000000 ]  - [   0.0001560800000000, -0.0002308300000000, -0.0003750300000000 ]  - [   0.0001282600000000, -0.0007871600000000,  0.0001422500000000 ]  - [   0.0005642800000000, -0.0004735100000000, -0.0004033800000000 ]  - [  -0.0003718900000000, -0.0000266900000000,  0.0001147100000000 ]  - [   0.0003306900000000,  0.0004327100000000, -0.0007376200000000 ]  - [   0.0004792400000000,  0.0001272400000000,  0.0000227400000000 ]  - [   0.0013190500000000, -0.0007719000000000, -0.0019967300000000 ]  - [  -0.0003467200000000,  0.0004049200000000, -0.0003565400000000 ]  - [   0.0125842200000000,  0.0018918000000000,  0.0028329400000000 ]  - [   0.0000966500000000,  0.0000141400000000,  0.0002014900000000 ]  - [   0.0006636100000000,  0.0007187200000000, -0.0006715900000000 ]  - [  -0.0000860500000000, -0.0003270800000000,  0.0002081600000000 ]  - [   0.0005755900000000, -0.0006855400000000,  0.0002293500000000 ]  - [   0.0000408200000000, -0.0000479500000000,  0.0000527300000000 ]  - [   0.0006104200000000,  0.0002751000000000,  0.0000277600000000 ]  - [   0.0007602300000000, -0.0005568100000000,  0.0001847400000000 ]  - [   0.0004660200000000, -0.0002653000000000, -0.0003241300000000 ]  - [   0.0005839100000000,  0.0004966000000000, -0.0005241300000000 ]  - [   0.0027093300000000, -0.0005288100000000, -0.0006326100000000 ]  - [   0.0008469900000000,  0.0003496800000000,  0.0003397100000000 ]  - [   0.0003905000000000, -0.0003912300000000,  0.0000636300000000 ]  - [   0.0010929800000000, -0.0000815600000000,  0.0007940400000000 ]  - [   0.0006825900000000, -0.0004602700000000, -0.0004580100000000 ]  - [   0.0001101100000000,  0.0002286000000000, -0.0002215900000000 ]  - [   0.0003426000000000, -0.0000411800000000, -0.0001806700000000 ]  - [   0.0003990500000000,  0.0007916700000000,  0.0002387600000000 ]  - [   0.0004261300000000,  0.0005793500000000,  0.0002131200000000 ]  - [  -0.0002045900000000,  0.0002141100000000, -0.0002162500000000 ]  - [   0.0012043100000000, -0.0008592500000000,  0.0005563400000000 ]  - [   0.0004960900000000,  0.0000944400000000,  0.0005908500000000 ]  - [   0.0062603000000000,  0.0015876400000000, -0.0027434100000000 ]  - [  -0.0004846200000000, -0.0000380300000000,  0.0005530000000000 ]  - [   0.0112363400000000, -0.0033893000000000,  0.0034060100000000 ]  - [   0.0000354200000000, -0.0001632400000000, -0.0001450300000000 ]  - [  -0.0004572300000000, -0.0006431900000000,  0.0002529800000000 ]  - [   0.0045678600000000, -0.0032607400000000, -0.0012764800000000 ]  - [  -0.0001577300000000,  0.0002554500000000, -0.0002168700000000 ]  - [   0.0011855400000000,  0.0035173000000000,  0.0008505200000000 ]  - [   0.0000663900000000,  0.0004392800000000,  0.0002243000000000 ]  - [  -0.0003425400000000,  0.0001493500000000,  0.0000342800000000 ]  - [  -0.0009714000000000, -0.0001595500000000,  0.0000779600000000 ]  - [  -0.0008983700000000,  0.0004710500000000,  0.0003515000000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0019172500000000, -0.0000357700000000,  0.0000293500000000 ]  - [  -0.0012568900000000,  0.0001722800000000,  0.0000507100000000 ]  - [  -0.0040769400000000,  0.0044576100000000, -0.0028037200000000 ]  - [  -0.0005224200000000, -0.0003015600000000,  0.0001165100000000 ]  - [   0.0018316200000000,  0.0017440900000000,  0.0004228500000000 ]  - [   0.0009506100000000, -0.0000362800000000, -0.0000171300000000 ]  - [   0.0027794700000000, -0.0006363600000000,  0.0003753700000000 ]  - [   0.0006850100000000, -0.0001594200000000, -0.0000018200000000 ]  - [   0.0008385300000000,  0.0006736200000000,  0.0000043600000000 ]  - [   0.0001022300000000, -0.0002245900000000, -0.0005082800000000 ]  - [  -0.0008151400000000, -0.0006965100000000, -0.0012483900000000 ]  - [  -0.0007378900000000, -0.0011146200000000,  0.0003688200000000 ]  - [  -0.0247997300000000, -0.0227274500000000, -0.0159166800000000 ]  - [  -0.0001461600000000,  0.0000925200000000, -0.0002579800000000 ]  - [  -0.0006257500000000, -0.0003116500000000, -0.0001248800000000 ]  - [  -0.0007114800000000, -0.0000032900000000,  0.0005535400000000 ]  - [   0.0004630600000000, -0.0000289100000000,  0.0007197200000000 ]  - [   0.0005135900000000,  0.0001846100000000, -0.0017067800000000 ]  - [   0.0003505900000000, -0.0010224300000000, -0.0003805800000000 ]  - [   0.0000436800000000,  0.0002080500000000, -0.0000176800000000 ]  - [   0.0026938300000000, -0.0002308600000000, -0.0027828800000000 ]  - [   0.0004483500000000,  0.0005372300000000,  0.0003051600000000 ]  - [   0.0010771200000000, -0.0003117800000000,  0.0000902200000000 ]  - [   0.0003951800000000, -0.0000254200000000, -0.0003088300000000 ]  - [   0.0038572200000000, -0.0010516200000000, -0.0016693200000000 ]  - [  -0.0000013400000000, -0.0003206800000000, -0.0000795700000000 ]  - [   0.0007595000000000,  0.0000163400000000,  0.0005450900000000 ]  - [   0.0007389200000000,  0.0002766000000000, -0.0002594500000000 ]  - [  -0.0000579700000000,  0.0000747400000000,  0.0009652600000000 ]  - [   0.0028986700000000, -0.0002392900000000,  0.0002822600000000 ]  - [  -0.0001668800000000, -0.0001022600000000,  0.0002504300000000 ]  - [  -0.0004419100000000,  0.0028377400000000,  0.0004817900000000 ]  - [  -0.0573603000000000,  0.0175773400000000,  0.0145581700000000 ]  - [  -0.0005880800000000, -0.0000740000000000, -0.0001067900000000 ]  - [  -0.0007760900000000,  0.0012744100000000,  0.0003743800000000 ]  - [  -0.0001471600000000, -0.0000061500000000, -0.0001806300000000 ]  - [   0.1187756600000000,  0.0026916200000000,  0.0102107700000000 ]  - [   0.0002802900000000,  0.0001525200000000, -0.0002217900000000 ]  - [   0.0000897500000000, -0.0003878700000000,  0.0002946600000000 ]  - [   0.0003746600000000, -0.0007117700000000, -0.0016197000000000 ]  - [  -0.0003120700000000, -0.0036391700000000, -0.0001841100000000 ]  - [   0.0000084800000000,  0.0002457500000000, -0.0001355300000000 ]  - [   0.0003646300000000,  0.0007420100000000,  0.0002716600000000 ]  - [   0.0004060700000000,  0.0000173100000000, -0.0003590400000000 ]  - [  -0.0006179400000000,  0.0005266100000000,  0.0000501500000000 ]  - [  -0.0000590600000000,  0.0002032000000000, -0.0002200800000000 ]  - [   0.0003015400000000, -0.0002367100000000,  0.0000083300000000 ]  - [   0.0002995400000000,  0.0003541300000000, -0.0008337600000000 ]  - [  -0.0020195000000000,  0.0002845800000000,  0.0012874900000000 ]  - [  -0.0004243000000000,  0.0000992200000000, -0.0004554400000000 ]  - [  -0.0120743800000000, -0.0019695700000000, -0.0029769600000000 ]  - [  -0.0000476900000000, -0.0000090000000000, -0.0002173000000000 ]  - [  -0.0007869100000000, -0.0003573600000000,  0.0005823600000000 ]  - [  -0.0004593800000000, -0.0004701300000000, -0.0004355100000000 ]  - [  -0.0005296400000000,  0.0000813700000000,  0.0001534600000000 ]  - [  -0.0000228600000000,  0.0001095100000000, -0.0000118300000000 ]  - [  -0.0001386200000000,  0.0002796500000000, -0.0004035600000000 ]  - [  -0.0001413500000000, -0.0000187900000000,  0.0000728300000000 ]  - [  -0.0007697600000000, -0.0002589100000000, -0.0001653000000000 ]  - [  -0.0001394600000000,  0.0002997800000000, -0.0002388900000000 ]  - [  -0.0026153100000000, -0.0001440300000000,  0.0012778900000000 ]  - [  -0.0005481300000000,  0.0002552300000000,  0.0002620900000000 ]  - [  -0.0011128000000000, -0.0002914200000000,  0.0002966000000000 ]  - [  -0.0016473200000000,  0.0006610900000000, -0.0007878700000000 ]  - [  -0.0008357100000000,  0.0001179200000000, -0.0000567000000000 ]  - [  -0.0001705200000000,  0.0002559300000000, -0.0000912700000000 ]  - [   0.0000849800000000, -0.0003170700000000,  0.0002632600000000 ]  - [  -0.0001766400000000, -0.0002418300000000, -0.0000473300000000 ]  - [  -0.0003980600000000, -0.0005635500000000, -0.0001179300000000 ]  - [  -0.0001969000000000, -0.0001087700000000,  0.0006655000000000 ]  - [  -0.0004231200000000,  0.0006849300000000,  0.0002482000000000 ]  - [   0.0000853200000000,  0.0000874500000000, -0.0000271700000000 ]  - [  -0.0069763200000000, -0.0015662100000000,  0.0034522600000000 ]  - [  -0.0002650600000000,  0.0004389200000000,  0.0001775300000000 ]  - [  -0.0110236200000000,  0.0033404700000000, -0.0031968300000000 ]  - [   0.0001007700000000,  0.0001864100000000,  0.0003386800000000 ]  - [  -0.0000314100000000, -0.0000132200000000, -0.0000675800000000 ]  - [  -0.0047833200000000,  0.0036194400000000,  0.0013898300000000 ]  - [   0.0002183000000000,  0.0001414200000000, -0.0000442600000000 ]  - [  -0.0010315600000000, -0.0041502100000000, -0.0015313700000000 ]  - [   0.0004464600000000,  0.0000990700000000,  0.0000415100000000 ]  - [   0.0010698600000000, -0.0008684600000000,  0.0002832200000000 ]  - [   0.0009525000000000, -0.0003106300000000,  0.0004454200000000 ]  - [   0.0006420800000000,  0.0001928600000000,  0.0002508700000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000773300000000,  0.0007074800000000, -0.0014734200000000 ]  - [   0.0000992700000000, -0.0013286900000000, -0.0005510000000000 ]  - [  -0.0051666100000000,  0.0092905800000000, -0.0057695700000000 ]  - [  -0.0002052100000000, -0.0007297600000000,  0.0002266100000000 ]  - [  -0.0007409700000000,  0.0001815200000000, -0.0000770300000000 ]  - [   0.0001763500000000,  0.0001734000000000,  0.0000398600000000 ]  - [  -0.0002795400000000,  0.0002809200000000,  0.0001760200000000 ]  - [  -0.0001251100000000, -0.0003186900000000, -0.0000085700000000 ]  - [  -0.0004937700000000,  0.0004775400000000, -0.0004933600000000 ]  - [  -0.0002119500000000, -0.0005330300000000, -0.0003423100000000 ]  - [   0.0006454000000000,  0.0007117700000000, -0.0002429600000000 ]  - [   0.0012049600000000, -0.0008135200000000,  0.0009262700000000 ]  - [   0.0241588800000000,  0.0397222800000000,  0.0269323300000000 ]  - [  -0.0005785200000000, -0.0002147800000000,  0.0008925400000000 ]  - [  -0.0003100900000000, -0.0017579000000000,  0.0002030800000000 ]  - [  -0.0002445400000000,  0.0002827800000000,  0.0002029300000000 ]  - [  -0.0012048900000000,  0.0014684300000000, -0.0007207000000000 ]  - [  -0.0012389000000000,  0.0001175400000000,  0.0024054300000000 ]  - [   0.0003901400000000,  0.0002555400000000, -0.0005210200000000 ]  - [   0.0000932100000000, -0.0006982100000000, -0.0003183800000000 ]  - [   0.0005446400000000,  0.0004031300000000,  0.0002606300000000 ]  - [   0.0002997700000000,  0.0001902600000000,  0.0002155100000000 ]  - [   0.0004185300000000, -0.0002629500000000,  0.0002734200000000 ]  - [   0.0003854700000000, -0.0002714800000000,  0.0000669400000000 ]  - [  -0.0004782900000000,  0.0002008100000000, -0.0001893900000000 ]  - [  -0.0002219000000000, -0.0000539200000000, -0.0005348900000000 ]  - [  -0.0001734500000000, -0.0009836700000000,  0.0006515700000000 ]  - [  -0.0002114700000000,  0.0002888200000000,  0.0000645600000000 ]  - [   0.0000585000000000, -0.0000187100000000,  0.0002040700000000 ]  - [   0.0031870500000000, -0.0003012400000000,  0.0009722400000000 ]  - [  -0.0003114900000000, -0.0005164100000000,  0.0001126100000000 ]  - [  -0.0011584900000000, -0.0003860200000000,  0.0007876900000000 ]  - [  -0.0166269900000000,  0.0136394500000000,  0.0058903800000000 ]  - [   0.0004710100000000,  0.0003158400000000, -0.0004432300000000 ]  - [   0.0010389800000000, -0.0014598300000000, -0.0005665600000000 ]  - [   0.0001094500000000, -0.0002618300000000,  0.0003934900000000 ]  - [  -0.0041831900000000, -0.0784295100000000, -0.0323150100000000 ]  - [  -0.0000351400000000,  0.0006057800000000, -0.0003931000000000 ]  - [  -0.0000325400000000, -0.0002373900000000, -0.0011695200000000 ]  - [   0.0011543200000000,  0.0006999400000000,  0.0032927300000000 ]  - [   0.0043906700000000,  0.0065782700000000,  0.0000991000000000 ]  - [   0.0001280500000000, -0.0002017700000000,  0.0005160200000000 ]  - [   0.0000887200000000,  0.0010065700000000,  0.0005120300000000 ]  - [   0.0001373600000000,  0.0004622900000000, -0.0001681300000000 ]  - [  -0.0002349700000000,  0.0024354200000000,  0.0001344000000000 ]  - [  -0.0001222800000000, -0.0000483100000000, -0.0003100700000000 ]  - [   0.0004182100000000,  0.0010115200000000, -0.0007941000000000 ]  - [   0.0002033600000000, -0.0012964000000000, -0.0009132100000000 ]  - [  -0.0009874300000000, -0.0000948800000000, -0.0000770000000000 ]  - [  -0.0002660500000000,  0.0000668100000000, -0.0001639000000000 ]  - [  -0.0007398600000000, -0.0009657400000000, -0.0004998100000000 ]  - [   0.0003783200000000,  0.0000167100000000, -0.0006343900000000 ]  - [   0.0001027400000000, -0.0004037000000000, -0.0001569700000000 ]  - [   0.0001100100000000, -0.0000272600000000,  0.0002897900000000 ]  - [  -0.0007422100000000, -0.0000311100000000,  0.0001085400000000 ]  - [  -0.0001680500000000,  0.0005582900000000,  0.0000812300000000 ]  - [   0.0003377700000000,  0.0005078700000000,  0.0001889100000000 ]  - [   0.0001991800000000, -0.0001448300000000,  0.0003799700000000 ]  - [  -0.0001906100000000, -0.0001023600000000, -0.0004273400000000 ]  - [  -0.0002684000000000,  0.0003020200000000, -0.0002812500000000 ]  - [  -0.0000006400000000, -0.0006042800000000,  0.0003561700000000 ]  - [   0.0001486700000000,  0.0003892300000000,  0.0003711300000000 ]  - [  -0.0007559500000000, -0.0005135100000000, -0.0000118200000000 ]  - [  -0.0002942300000000,  0.0002239800000000, -0.0001111600000000 ]  - [  -0.0001718900000000, -0.0003437000000000, -0.0003847300000000 ]  - [  -0.0000050900000000,  0.0000759500000000, -0.0001217700000000 ]  - [   0.0003129500000000,  0.0001019500000000, -0.0000589700000000 ]  - [   0.0004876000000000,  0.0004121000000000, -0.0003111200000000 ]  - [   0.0004045600000000,  0.0009337300000000,  0.0004470000000000 ]  - [  -0.0000638500000000,  0.0000309500000000,  0.0000236000000000 ]  - [  -0.0005404000000000,  0.0016989200000000,  0.0001381900000000 ]  - [   0.0004251900000000, -0.0005925600000000,  0.0004228300000000 ]  - [   0.0023815500000000, -0.0003615800000000, -0.0012475600000000 ]  - [  -0.0003674600000000, -0.0000110500000000,  0.0002942600000000 ]  - [  -0.0008869300000000, -0.0013200500000000, -0.0001963600000000 ]  - [   0.0000704500000000, -0.0001258900000000,  0.0007488300000000 ]  - [  -0.0001828700000000, -0.0000382500000000, -0.0000598900000000 ]  - [  -0.0072059200000000,  0.0038826700000000,  0.0015048100000000 ]  - [  -0.0000751900000000,  0.0004212700000000, -0.0000608600000000 ]  - [   0.0023529700000000,  0.0041226000000000,  0.0015913600000000 ]  - [   0.0003806900000000,  0.0006937300000000,  0.0000050000000000 ]  - [   0.0009261400000000,  0.0001236400000000, -0.0009127900000000 ]  - [  -0.0002734800000000,  0.0002923900000000,  0.0001579000000000 ]  - [   0.0000330900000000,  0.0004420800000000,  0.0004713000000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000434500000000, -0.0007161000000000,  0.0014405000000000 ]  - [  -0.0000884800000000,  0.0013864900000000,  0.0005505600000000 ]  - [   0.0049694900000000, -0.0092578100000000,  0.0063973100000000 ]  - [  -0.0002919600000000,  0.0002520300000000,  0.0002330100000000 ]  - [   0.0012246100000000,  0.0003319200000000,  0.0005251100000000 ]  - [   0.0003010000000000, -0.0005826900000000,  0.0003902300000000 ]  - [   0.0002872400000000, -0.0002928100000000, -0.0001349500000000 ]  - [   0.0001447700000000,  0.0003024900000000,  0.0000108500000000 ]  - [   0.0000834700000000, -0.0000109900000000,  0.0000070300000000 ]  - [  -0.0002196400000000,  0.0001537000000000, -0.0000416300000000 ]  - [  -0.0001877500000000, -0.0011740200000000, -0.0001634300000000 ]  - [  -0.0007633100000000,  0.0012725600000000, -0.0013764000000000 ]  - [  -0.0236970300000000, -0.0387535300000000, -0.0255696100000000 ]  - [  -0.0000017400000000, -0.0000417200000000, -0.0005930600000000 ]  - [   0.0000158300000000,  0.0011801000000000, -0.0000420700000000 ]  - [  -0.0000584400000000,  0.0002985100000000, -0.0000805200000000 ]  - [   0.0013039700000000, -0.0018392900000000,  0.0002094700000000 ]  - [   0.0013931100000000,  0.0001858300000000, -0.0029417600000000 ]  - [  -0.0005108400000000,  0.0000171900000000,  0.0000073400000000 ]  - [  -0.0002028000000000,  0.0004726000000000, -0.0002545800000000 ]  - [  -0.0002818000000000, -0.0010083000000000, -0.0001666600000000 ]  - [   0.0000628900000000,  0.0003314700000000, -0.0000290100000000 ]  - [   0.0001583800000000,  0.0004325700000000, -0.0000622400000000 ]  - [   0.0001874200000000,  0.0000922000000000,  0.0001732100000000 ]  - [  -0.0001441700000000,  0.0000207900000000, -0.0000568700000000 ]  - [  -0.0003696100000000, -0.0001388600000000,  0.0003049700000000 ]  - [  -0.0002081900000000,  0.0003829400000000, -0.0008520200000000 ]  - [  -0.0000011000000000,  0.0002572700000000, -0.0001941500000000 ]  - [   0.0000039200000000, -0.0002408200000000,  0.0003805100000000 ]  - [  -0.0030528800000000,  0.0005798600000000, -0.0004313100000000 ]  - [   0.0001958000000000,  0.0003168200000000,  0.0003758600000000 ]  - [   0.0010938500000000,  0.0005711300000000, -0.0002354500000000 ]  - [   0.0167631200000000, -0.0143182200000000, -0.0060155500000000 ]  - [  -0.0000911900000000,  0.0002336800000000,  0.0002762000000000 ]  - [  -0.0004468300000000,  0.0015728600000000,  0.0003575500000000 ]  - [   0.0004675700000000,  0.0000564800000000, -0.0006309200000000 ]  - [   0.0030944400000000,  0.0774598900000000,  0.0304418400000000 ]  - [   0.0000253800000000,  0.0000158600000000, -0.0003060300000000 ]  - [  -0.0005259600000000, -0.0003265900000000,  0.0014482700000000 ]  - [  -0.0018095000000000, -0.0000087100000000, -0.0032483100000000 ]  - [  -0.0042598100000000, -0.0070136000000000, -0.0000263600000000 ]  - [  -0.0001137400000000,  0.0007105200000000, -0.0003136600000000 ]  - [   0.0004339800000000, -0.0008794600000000, -0.0004343200000000 ]  - [   0.0003282800000000, -0.0004809600000000,  0.0002575600000000 ]  - [   0.0000385600000000, -0.0023955500000000, -0.0006134300000000 ]  - [   0.0000011400000000, -0.0000329200000000, -0.0002467700000000 ]  - [   0.0002229400000000, -0.0009688800000000,  0.0001870300000000 ]  - [   0.0004211200000000,  0.0009290600000000,  0.0002933900000000 ]  - [   0.0003943300000000,  0.0002348700000000, -0.0005319500000000 ]  - [  -0.0003676300000000, -0.0002680600000000, -0.0003667700000000 ]  - [   0.0008016200000000,  0.0010637300000000,  0.0000182100000000 ]  - [  -0.0000997100000000, -0.0000230000000000, -0.0000572100000000 ]  - [  -0.0006465600000000,  0.0005139700000000,  0.0002180300000000 ]  - [  -0.0004697900000000,  0.0001178600000000, -0.0001530700000000 ]  - [   0.0006311600000000, -0.0004033500000000, -0.0000765500000000 ]  - [   0.0000859600000000,  0.0000180000000000,  0.0000838500000000 ]  - [   0.0002590300000000,  0.0001000300000000,  0.0000091800000000 ]  - [   0.0003549600000000, -0.0004715000000000, -0.0002794900000000 ]  - [   0.0001419200000000, -0.0005075900000000, -0.0002342600000000 ]  - [   0.0001047200000000,  0.0002920200000000, -0.0003172200000000 ]  - [   0.0000464500000000, -0.0000264900000000,  0.0002901100000000 ]  - [  -0.0000814200000000,  0.0002023300000000,  0.0002626800000000 ]  - [   0.0002089100000000, -0.0001051100000000, -0.0002072100000000 ]  - [  -0.0003940700000000,  0.0004532600000000,  0.0000631100000000 ]  - [   0.0002783800000000, -0.0001389500000000,  0.0003404300000000 ]  - [   0.0000297600000000,  0.0003857400000000, -0.0001672200000000 ]  - [   0.0001875100000000, -0.0002300100000000, -0.0000005300000000 ]  - [  -0.0000005100000000, -0.0003875200000000,  0.0001892300000000 ]  - [  -0.0006449500000000, -0.0008747800000000,  0.0001098000000000 ]  - [  -0.0002072200000000, -0.0000123700000000,  0.0004876500000000 ]  - [   0.0011565500000000, -0.0015437500000000,  0.0004146700000000 ]  - [   0.0002539400000000,  0.0003528700000000,  0.0002239000000000 ]  - [  -0.0029923200000000,  0.0005186700000000,  0.0018155100000000 ]  - [  -0.0002390800000000, -0.0002455900000000,  0.0002781000000000 ]  - [   0.0011481600000000,  0.0012973100000000,  0.0007272500000000 ]  - [   0.0001221100000000,  0.0000523800000000, -0.0001329500000000 ]  - [  -0.0001539200000000,  0.0001152700000000, -0.0000824600000000 ]  - [   0.0065408600000000, -0.0037226300000000, -0.0015475900000000 ]  - [  -0.0000274200000000, -0.0000229100000000, -0.0000380100000000 ]  - [  -0.0024815900000000, -0.0045870500000000, -0.0017308500000000 ]  - [   0.0002292100000000, -0.0000530100000000, -0.0001534500000000 ]  - [  -0.0002990900000000, -0.0007396300000000,  0.0006476900000000 ]  - [   0.0001937100000000, -0.0009349300000000,  0.0004774300000000 ]  - [  -0.0000029100000000,  0.0002448600000000,  0.0002132300000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001187500000000, -0.0007607600000000, -0.0001370200000000 ]  - [   0.0002594200000000, -0.0008007500000000,  0.0002397700000000 ]  - [   0.0032207400000000, -0.0054395200000000,  0.0042420200000000 ]  - [  -0.0000506700000000, -0.0001125700000000, -0.0001640100000000 ]  - [  -0.0001646300000000, -0.0000689300000000,  0.0004628800000000 ]  - [  -0.0001139100000000, -0.0001097400000000, -0.0004390700000000 ]  - [   0.0003110500000000,  0.0000677100000000, -0.0000456200000000 ]  - [  -0.0000930800000000,  0.0001074800000000, -0.0000655400000000 ]  - [  -0.0005885300000000, -0.0002276300000000,  0.0000423200000000 ]  - [  -0.0001121800000000, -0.0001245500000000, -0.0002741500000000 ]  - [   0.0012765100000000, -0.0000572100000000, -0.0015134800000000 ]  - [  -0.0002635600000000,  0.0013474500000000,  0.0000998400000000 ]  - [   0.0167460200000000,  0.0250427200000000,  0.0247565400000000 ]  - [  -0.0000476600000000, -0.0005848900000000, -0.0014899500000000 ]  - [   0.0000046200000000, -0.0004739000000000,  0.0006404100000000 ]  - [   0.0001569900000000,  0.0004762100000000, -0.0005450300000000 ]  - [  -0.0021605500000000,  0.0017826500000000, -0.0021220300000000 ]  - [   0.0005235100000000,  0.0007881400000000,  0.0006034300000000 ]  - [   0.0002496900000000, -0.0001160300000000,  0.0000746500000000 ]  - [  -0.0001437300000000, -0.0003311600000000, -0.0004085500000000 ]  - [   0.0001113100000000,  0.0001543400000000,  0.0010182200000000 ]  - [   0.0000310400000000, -0.0000771300000000, -0.0004731200000000 ]  - [   0.0000546600000000,  0.0000271500000000,  0.0002673700000000 ]  - [   0.0002339500000000, -0.0001645000000000, -0.0000001800000000 ]  - [  -0.0024572700000000,  0.0014828000000000,  0.0008850100000000 ]  - [  -0.0002068000000000, -0.0000686500000000, -0.0003219400000000 ]  - [  -0.0002205000000000, -0.0001769700000000,  0.0005626500000000 ]  - [  -0.0003136500000000, -0.0000001400000000, -0.0005366900000000 ]  - [   0.0000432100000000, -0.0002016400000000, -0.0005568900000000 ]  - [   0.0013457300000000,  0.0001044900000000,  0.0006701900000000 ]  - [  -0.0001715800000000, -0.0002164700000000, -0.0001439300000000 ]  - [  -0.0003487300000000,  0.0012703100000000,  0.0016599300000000 ]  - [  -0.0139076800000000,  0.0062647400000000,  0.0093811600000000 ]  - [   0.0003309700000000,  0.0004602500000000, -0.0004879500000000 ]  - [   0.0006627200000000, -0.0007533800000000, -0.0005770700000000 ]  - [   0.0001439600000000, -0.0000851400000000, -0.0003696500000000 ]  - [  -0.0112090500000000, -0.0318003500000000, -0.0470705500000000 ]  - [  -0.0003039300000000,  0.0003459800000000,  0.0005897600000000 ]  - [  -0.0009191600000000, -0.0009875900000000,  0.0019056700000000 ]  - [   0.0023538900000000,  0.0044583600000000,  0.0063516700000000 ]  - [   0.0002160400000000, -0.0013718500000000, -0.0013377900000000 ]  - [  -0.0000741600000000, -0.0000919400000000,  0.0017042500000000 ]  - [   0.0000601500000000,  0.0005247700000000, -0.0002999400000000 ]  - [   0.0002591500000000, -0.0000051900000000,  0.0003137400000000 ]  - [  -0.0000278400000000, -0.0007052400000000, -0.0006540100000000 ]  - [  -0.0002137900000000, -0.0000648200000000, -0.0001749200000000 ]  - [   0.0001052700000000, -0.0001177600000000, -0.0004054800000000 ]  - [   0.0004815800000000, -0.0008244100000000,  0.0002232900000000 ]  - [  -0.0010016500000000,  0.0001733100000000, -0.0002004100000000 ]  - [  -0.0000162000000000,  0.0001307700000000,  0.0000343600000000 ]  - [   0.0012787100000000,  0.0005033100000000, -0.0018905900000000 ]  - [   0.0001836400000000,  0.0000275400000000,  0.0000099700000000 ]  - [  -0.0005044200000000,  0.0000415900000000, -0.0001495300000000 ]  - [   0.0004806600000000,  0.0002062700000000,  0.0005066700000000 ]  - [   0.0000925000000000, -0.0000980300000000, -0.0002282300000000 ]  - [  -0.0000212700000000,  0.0004935700000000,  0.0003199000000000 ]  - [   0.0004054500000000,  0.0002995400000000,  0.0000234700000000 ]  - [   0.0002462700000000, -0.0001164400000000, -0.0000416300000000 ]  - [   0.0003468800000000, -0.0003804200000000, -0.0004474700000000 ]  - [   0.0000022400000000,  0.0001899100000000, -0.0000181600000000 ]  - [   0.0007867500000000, -0.0003526400000000, -0.0003051100000000 ]  - [  -0.0003219600000000,  0.0003460800000000,  0.0004888100000000 ]  - [  -0.0003381600000000, -0.0001139000000000, -0.0001456300000000 ]  - [   0.0003992800000000,  0.0000046100000000,  0.0007349700000000 ]  - [   0.0001263900000000, -0.0005072000000000, -0.0005592100000000 ]  - [  -0.0000208100000000,  0.0001660100000000,  0.0002351900000000 ]  - [   0.0002265600000000, -0.0000801400000000,  0.0001163100000000 ]  - [   0.0004509700000000, -0.0001860000000000, -0.0005287800000000 ]  - [   0.0002144000000000,  0.0004623300000000,  0.0004669700000000 ]  - [  -0.0002734200000000, -0.0000198700000000,  0.0005398300000000 ]  - [  -0.0002201800000000,  0.0004128600000000, -0.0000442500000000 ]  - [   0.0005878800000000,  0.0000349500000000,  0.0007184100000000 ]  - [  -0.0044262100000000, -0.0011634200000000,  0.0006688600000000 ]  - [  -0.0002191200000000, -0.0001777000000000,  0.0003859600000000 ]  - [   0.0074903000000000, -0.0023358300000000,  0.0013653100000000 ]  - [   0.0001520900000000,  0.0000178600000000,  0.0006652400000000 ]  - [  -0.0001276300000000, -0.0001684700000000,  0.0003959900000000 ]  - [  -0.0030117000000000,  0.0018391700000000, -0.0005179400000000 ]  - [  -0.0000403100000000,  0.0000909000000000,  0.0000959500000000 ]  - [   0.0010224500000000,  0.0021184300000000,  0.0000721500000000 ]  - [   0.0004390800000000,  0.0006060200000000,  0.0001812800000000 ]  - [   0.0001547900000000, -0.0005044100000000, -0.0001704400000000 ]  - [  -0.0000555400000000, -0.0001782700000000,  0.0000870000000000 ]  - [   0.0003230000000000,  0.0004329900000000,  0.0010546100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0001272500000000,  0.0006970700000000, -0.0000092700000000 ]  - [  -0.0002569000000000,  0.0008363200000000, -0.0002563100000000 ]  - [  -0.0035510500000000,  0.0057614400000000, -0.0039388400000000 ]  - [  -0.0003124000000000, -0.0002440300000000,  0.0005309200000000 ]  - [   0.0005251700000000,  0.0004406900000000, -0.0001071900000000 ]  - [   0.0004935500000000, -0.0002467800000000,  0.0008101100000000 ]  - [  -0.0003181500000000, -0.0000880300000000,  0.0000372500000000 ]  - [   0.0001069300000000, -0.0000992100000000,  0.0000908500000000 ]  - [   0.0002150300000000,  0.0005844100000000, -0.0003795900000000 ]  - [  -0.0002628900000000, -0.0002409500000000, -0.0000863300000000 ]  - [  -0.0009381300000000, -0.0003179900000000,  0.0011720500000000 ]  - [   0.0006355000000000, -0.0009573600000000, -0.0004596800000000 ]  - [  -0.0166654900000000, -0.0242302600000000, -0.0245428100000000 ]  - [  -0.0004136400000000,  0.0004112800000000,  0.0017561100000000 ]  - [  -0.0002472400000000,  0.0000158400000000, -0.0004909300000000 ]  - [  -0.0003652300000000, -0.0000465700000000,  0.0007451900000000 ]  - [   0.0022637600000000, -0.0020662500000000,  0.0016948200000000 ]  - [  -0.0003550300000000, -0.0006132700000000, -0.0010510400000000 ]  - [  -0.0003704200000000,  0.0003515200000000, -0.0005216700000000 ]  - [   0.0000168800000000,  0.0001493800000000, -0.0000181800000000 ]  - [   0.0000969500000000, -0.0006040500000000, -0.0009386100000000 ]  - [   0.0002127800000000,  0.0005468300000000,  0.0006615600000000 ]  - [   0.0004339600000000,  0.0001430700000000, -0.0000833200000000 ]  - [   0.0001876200000000, -0.0000122200000000,  0.0001707200000000 ]  - [   0.0019921300000000, -0.0013138300000000, -0.0010921000000000 ]  - [  -0.0002563400000000, -0.0000781900000000,  0.0000654500000000 ]  - [   0.0000142600000000, -0.0002584400000000, -0.0007204600000000 ]  - [   0.0000606200000000,  0.0004527500000000,  0.0003784400000000 ]  - [   0.0000233000000000, -0.0000075000000000,  0.0010163200000000 ]  - [  -0.0012220800000000,  0.0001434800000000, -0.0002167000000000 ]  - [   0.0000468500000000,  0.0000051100000000,  0.0005878600000000 ]  - [   0.0002185800000000, -0.0010808900000000, -0.0012149600000000 ]  - [   0.0141941400000000, -0.0067197300000000, -0.0097173600000000 ]  - [  -0.0000919900000000, -0.0000153100000000,  0.0003222100000000 ]  - [  -0.0002011000000000,  0.0009049900000000,  0.0003860700000000 ]  - [   0.0003674000000000, -0.0000804700000000,  0.0001616300000000 ]  - [   0.0108439200000000,  0.0308763600000000,  0.0469094900000000 ]  - [   0.0000318600000000,  0.0002770200000000, -0.0012047800000000 ]  - [   0.0004178300000000,  0.0004668300000000, -0.0018153600000000 ]  - [  -0.0029481100000000, -0.0037822400000000, -0.0066511600000000 ]  - [  -0.0001731200000000,  0.0005678500000000,  0.0015957000000000 ]  - [   0.0000278900000000,  0.0005022500000000, -0.0013599100000000 ]  - [   0.0004097200000000, -0.0003565200000000,  0.0003296900000000 ]  - [   0.0002384800000000, -0.0001187900000000, -0.0002507600000000 ]  - [  -0.0003032500000000,  0.0006569700000000,  0.0001130600000000 ]  - [   0.0000165800000000,  0.0000321500000000, -0.0004879200000000 ]  - [   0.0004398500000000, -0.0000349800000000, -0.0000990400000000 ]  - [   0.0000776000000000,  0.0007029800000000, -0.0007487900000000 ]  - [   0.0004450800000000, -0.0001623400000000, -0.0003039400000000 ]  - [  -0.0005042900000000, -0.0001681800000000, -0.0004716300000000 ]  - [  -0.0012783000000000, -0.0004024000000000,  0.0013321800000000 ]  - [   0.0002418000000000,  0.0000352700000000, -0.0007245600000000 ]  - [  -0.0001611200000000,  0.0001696200000000,  0.0002058500000000 ]  - [  -0.0008564400000000, -0.0002393500000000, -0.0004224900000000 ]  - [  -0.0000813000000000, -0.0003144700000000,  0.0004724200000000 ]  - [   0.0000236300000000,  0.0001110200000000, -0.0000634400000000 ]  - [   0.0001918100000000,  0.0002815000000000, -0.0000078000000000 ]  - [   0.0003374500000000, -0.0004600400000000, -0.0001382800000000 ]  - [  -0.0000735700000000, -0.0002050700000000, -0.0001321000000000 ]  - [   0.0000551700000000,  0.0003363900000000, -0.0005148600000000 ]  - [  -0.0010415200000000, -0.0002945100000000,  0.0009287100000000 ]  - [   0.0000068200000000,  0.0002496700000000,  0.0001091100000000 ]  - [  -0.0001847500000000, -0.0004285000000000,  0.0000802100000000 ]  - [  -0.0010929700000000,  0.0006530000000000, -0.0007334200000000 ]  - [  -0.0000693000000000,  0.0001103500000000,  0.0004470400000000 ]  - [  -0.0000153400000000,  0.0002069300000000, -0.0005244600000000 ]  - [   0.0002145500000000, -0.0001659800000000, -0.0001306500000000 ]  - [   0.0001185700000000,  0.0003117200000000,  0.0004588500000000 ]  - [  -0.0005929100000000, -0.0005067200000000,  0.0001697600000000 ]  - [  -0.0001211700000000,  0.0000883500000000, -0.0000368400000000 ]  - [   0.0007141800000000, -0.0004960400000000,  0.0004673400000000 ]  - [   0.0000304400000000, -0.0000762300000000, -0.0001054700000000 ]  - [   0.0037877700000000,  0.0009404900000000, -0.0000188600000000 ]  - [  -0.0003236400000000,  0.0000989000000000,  0.0001001200000000 ]  - [  -0.0072113000000000,  0.0023004800000000, -0.0010348000000000 ]  - [   0.0002211600000000,  0.0000331100000000, -0.0000064900000000 ]  - [  -0.0002567800000000,  0.0000903500000000, -0.0004728000000000 ]  - [   0.0024640000000000, -0.0014322100000000,  0.0005658100000000 ]  - [   0.0000396900000000,  0.0002829700000000, -0.0003470400000000 ]  - [  -0.0010720200000000, -0.0025606300000000, -0.0002269700000000 ]  - [   0.0002027000000000,  0.0000161200000000, -0.0001567200000000 ]  - [   0.0004005100000000, -0.0000649300000000,  0.0000836300000000 ]  - [   0.0002481900000000, -0.0004595500000000,  0.0005248900000000 ]  - [  -0.0000361400000000,  0.0002081700000000, -0.0004447100000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001102100000000, -0.0002315900000000, -0.0003783100000000 ]  - [   0.0001312300000000,  0.0003746400000000,  0.0000807600000000 ]  - [   0.0007035900000000, -0.0000143100000000,  0.0003827200000000 ]  - [   0.0001604800000000, -0.0002633500000000,  0.0004384100000000 ]  - [   0.0104343800000000,  0.0002474800000000,  0.0016191800000000 ]  - [   0.0005487900000000,  0.0001795100000000,  0.0010727500000000 ]  - [  -0.0006696200000000,  0.0003701100000000, -0.0004989100000000 ]  - [  -0.0006293000000000, -0.0006356400000000,  0.0004139400000000 ]  - [  -0.0007160000000000,  0.0003706600000000, -0.0002383100000000 ]  - [  -0.0004806900000000, -0.0002364400000000, -0.0002189700000000 ]  - [  -0.0003137800000000, -0.0004302800000000,  0.0002708100000000 ]  - [  -0.0026099200000000,  0.0007215100000000, -0.0024357900000000 ]  - [   0.0048917300000000, -0.0027995200000000, -0.0002275600000000 ]  - [   0.0003347800000000,  0.0007036800000000, -0.0004003000000000 ]  - [   0.0007661100000000, -0.0003545800000000, -0.0005461800000000 ]  - [   0.0001568300000000,  0.0002483600000000,  0.0001059400000000 ]  - [   0.0019250500000000, -0.0006172700000000, -0.0002101000000000 ]  - [   0.0143106600000000, -0.0035928200000000, -0.0222654700000000 ]  - [   0.0000761700000000,  0.0003737800000000, -0.0002607100000000 ]  - [   0.0000315500000000, -0.0002782800000000, -0.0002706500000000 ]  - [  -0.0005586900000000,  0.0023785700000000,  0.0003845800000000 ]  - [  -0.0002052500000000,  0.0003061200000000, -0.0000214500000000 ]  - [   0.0006548300000000,  0.0000104900000000, -0.0003310000000000 ]  - [   0.0003507600000000, -0.0001091400000000,  0.0001190300000000 ]  - [  -0.0015838700000000,  0.0000411100000000, -0.0001874800000000 ]  - [  -0.0005240800000000, -0.0003197800000000, -0.0003936300000000 ]  - [  -0.0007896800000000, -0.0003148700000000, -0.0002038800000000 ]  - [  -0.0001206200000000,  0.0003689700000000,  0.0000235100000000 ]  - [  -0.0005251000000000,  0.0003675600000000,  0.0005909400000000 ]  - [  -0.0021018900000000,  0.0009814700000000,  0.0000146500000000 ]  - [  -0.0002316000000000,  0.0001060400000000,  0.0003470400000000 ]  - [  -0.0003834600000000, -0.0002431900000000,  0.0004732300000000 ]  - [  -0.0012124700000000, -0.0011393900000000, -0.0002710700000000 ]  - [   0.0000467300000000,  0.0000974700000000, -0.0000756500000000 ]  - [  -0.0002834700000000, -0.0001884200000000, -0.0005113500000000 ]  - [   0.0001604600000000,  0.0000993300000000,  0.0000835500000000 ]  - [   0.0001291300000000,  0.0039587200000000, -0.0002349600000000 ]  - [  -0.0001539600000000,  0.0002056800000000, -0.0003840900000000 ]  - [  -0.0013760800000000,  0.0000306800000000,  0.0018653800000000 ]  - [  -0.0016214100000000,  0.0026786200000000, -0.0034841200000000 ]  - [  -0.0397642400000000,  0.0052760100000000,  0.0289747600000000 ]  - [  -0.0005209800000000,  0.0003962600000000, -0.0001880100000000 ]  - [  -0.0001402300000000,  0.0001421500000000,  0.0000803900000000 ]  - [   0.0000237400000000, -0.0001081500000000, -0.0001384200000000 ]  - [  -0.0007435900000000,  0.0009849100000000,  0.0001428200000000 ]  - [  -0.0002671800000000,  0.0000415400000000, -0.0002598800000000 ]  - [  -0.0001746600000000,  0.0011822300000000, -0.0018963600000000 ]  - [  -0.0000636500000000,  0.0002413000000000, -0.0001440000000000 ]  - [  -0.0005962800000000, -0.0007672400000000, -0.0005473300000000 ]  - [  -0.0007106700000000,  0.0004524600000000,  0.0001037300000000 ]  - [   0.0025195700000000, -0.0052285400000000,  0.0017179400000000 ]  - [  -0.0002023600000000, -0.0000796800000000, -0.0002038500000000 ]  - [   0.0051722800000000, -0.0023695900000000, -0.0052467200000000 ]  - [  -0.0004605300000000, -0.0001883900000000,  0.0001155500000000 ]  - [  -0.0001324200000000, -0.0005556300000000,  0.0001467500000000 ]  - [  -0.0000004100000000,  0.0002573900000000,  0.0000771700000000 ]  - [   0.0002625000000000,  0.0003413900000000,  0.0000365300000000 ]  - [   0.0003377100000000, -0.0003316700000000, -0.0001434400000000 ]  - [   0.0006722900000000,  0.0003114400000000, -0.0004468100000000 ]  - [   0.0001660500000000,  0.0002399900000000, -0.0003592400000000 ]  - [   0.0006614300000000, -0.0005946700000000,  0.0003037500000000 ]  - [   0.0000325500000000,  0.0003493300000000,  0.0003372900000000 ]  - [   0.0020700900000000, -0.0010310700000000,  0.0006514800000000 ]  - [   0.0005516100000000, -0.0001325900000000, -0.0004151000000000 ]  - [   0.0009859200000000, -0.0002003800000000,  0.0000330500000000 ]  - [   0.0001994200000000,  0.0001431600000000, -0.0001656800000000 ]  - [   0.0003582500000000, -0.0002060600000000, -0.0000175000000000 ]  - [   0.0005131500000000,  0.0001891600000000,  0.0000434800000000 ]  - [   0.0004001000000000,  0.0000830100000000,  0.0002002400000000 ]  - [   0.0000674300000000, -0.0000230500000000,  0.0001188100000000 ]  - [   0.0008576400000000, -0.0002634600000000,  0.0004132500000000 ]  - [   0.0005013100000000, -0.0000737800000000,  0.0003271800000000 ]  - [   0.0000225600000000,  0.0002494800000000,  0.0001859500000000 ]  - [  -0.0001604400000000, -0.0001417100000000,  0.0005911900000000 ]  - [   0.0008840800000000,  0.0001167300000000,  0.0004411100000000 ]  - [   0.0004089200000000,  0.0001414400000000,  0.0001943600000000 ]  - [   0.0000877200000000, -0.0000554100000000, -0.0000780000000000 ]  - [   0.0049100800000000,  0.0003175700000000, -0.0009719300000000 ]  - [   0.0001708200000000,  0.0000653300000000, -0.0002906100000000 ]  - [   0.0004407300000000, -0.0001079300000000, -0.0000230700000000 ]  - [   0.0003355500000000,  0.0002974100000000,  0.0003008600000000 ]  - [   0.0003653200000000, -0.0003722500000000,  0.0000075900000000 ]  - [   0.0012037400000000, -0.0027828100000000,  0.0014460500000000 ]  - [  -0.0000774900000000,  0.0003426800000000,  0.0003081600000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001195100000000,  0.0002305200000000,  0.0003652900000000 ]  - [  -0.0001332300000000, -0.0003740100000000, -0.0000643400000000 ]  - [  -0.0011509100000000,  0.0004561800000000,  0.0000653300000000 ]  - [  -0.0006063900000000, -0.0001709600000000, -0.0000032800000000 ]  - [  -0.0094748400000000,  0.0002090800000000, -0.0010117000000000 ]  - [  -0.0000902800000000, -0.0006213300000000, -0.0006337100000000 ]  - [   0.0006835600000000, -0.0003712700000000,  0.0005026600000000 ]  - [   0.0006312900000000,  0.0006352300000000, -0.0004191900000000 ]  - [   0.0002740000000000,  0.0000719300000000, -0.0001979000000000 ]  - [   0.0000355200000000, -0.0002055400000000, -0.0002217800000000 ]  - [   0.0007531000000000, -0.0000094200000000, -0.0007108600000000 ]  - [   0.0030346300000000, -0.0002801300000000,  0.0019880200000000 ]  - [  -0.0054462700000000,  0.0031628000000000,  0.0001311800000000 ]  - [  -0.0008258300000000, -0.0008052900000000,  0.0003286000000000 ]  - [  -0.0007203500000000, -0.0001664000000000,  0.0006653100000000 ]  - [  -0.0001166200000000,  0.0002583100000000, -0.0000100000000000 ]  - [  -0.0018293800000000,  0.0006561600000000, -0.0002759900000000 ]  - [  -0.0143023100000000,  0.0035753500000000,  0.0213979200000000 ]  - [  -0.0001834800000000, -0.0004198300000000, -0.0002298400000000 ]  - [  -0.0001357500000000,  0.0003164800000000, -0.0002421500000000 ]  - [   0.0005232800000000, -0.0028843200000000, -0.0002949900000000 ]  - [   0.0001549600000000,  0.0001886300000000,  0.0001218200000000 ]  - [  -0.0001604400000000,  0.0000909500000000,  0.0002899100000000 ]  - [   0.0001644200000000,  0.0000125700000000, -0.0001663000000000 ]  - [   0.0010858300000000,  0.0000730700000000,  0.0002181000000000 ]  - [   0.0000244000000000,  0.0002017000000000,  0.0004290000000000 ]  - [   0.0008335200000000, -0.0001930100000000,  0.0001007700000000 ]  - [   0.0001767000000000,  0.0001430200000000, -0.0001208500000000 ]  - [   0.0006281100000000, -0.0003373500000000, -0.0000885000000000 ]  - [   0.0021964800000000, -0.0010360800000000,  0.0004921600000000 ]  - [   0.0001254400000000, -0.0000729700000000,  0.0001482900000000 ]  - [   0.0002845000000000,  0.0002080800000000,  0.0000393300000000 ]  - [   0.0011398900000000,  0.0006465600000000,  0.0001682800000000 ]  - [  -0.0000932800000000,  0.0004167100000000, -0.0000278700000000 ]  - [   0.0007901100000000,  0.0002982300000000,  0.0005465600000000 ]  - [   0.0003342200000000, -0.0002007300000000, -0.0000403200000000 ]  - [  -0.0002611100000000, -0.0044638400000000, -0.0003585200000000 ]  - [  -0.0000311800000000,  0.0003290200000000, -0.0002044100000000 ]  - [   0.0008490300000000, -0.0006123100000000, -0.0019577500000000 ]  - [   0.0011193100000000, -0.0020876500000000,  0.0032670200000000 ]  - [   0.0392897400000000, -0.0059998000000000, -0.0285633100000000 ]  - [   0.0004289800000000,  0.0000158900000000,  0.0004186200000000 ]  - [   0.0005692600000000,  0.0000760700000000, -0.0001699100000000 ]  - [   0.0004039200000000, -0.0000820700000000,  0.0000672900000000 ]  - [   0.0005413600000000, -0.0010726900000000, -0.0005568500000000 ]  - [   0.0000749400000000,  0.0000317200000000, -0.0001626400000000 ]  - [   0.0007660100000000, -0.0013776100000000,  0.0013554500000000 ]  - [   0.0006515500000000, -0.0000773700000000, -0.0003885000000000 ]  - [   0.0000142200000000,  0.0005912400000000,  0.0000290200000000 ]  - [   0.0001309000000000, -0.0002737200000000, -0.0006205900000000 ]  - [  -0.0023318600000000,  0.0051428400000000, -0.0021480200000000 ]  - [   0.0004319500000000,  0.0001717700000000, -0.0002221400000000 ]  - [  -0.0055328000000000,  0.0025223300000000,  0.0051266000000000 ]  - [   0.0000490500000000,  0.0000087400000000, -0.0001946300000000 ]  - [   0.0002147400000000,  0.0001465300000000,  0.0000465900000000 ]  - [   0.0000751900000000,  0.0001757600000000,  0.0001256300000000 ]  - [   0.0002704200000000,  0.0002490300000000, -0.0002054100000000 ]  - [   0.0001804100000000, -0.0002501700000000, -0.0000498800000000 ]  - [  -0.0004677300000000, -0.0008350900000000, -0.0001427700000000 ]  - [  -0.0000211700000000,  0.0002820000000000, -0.0002281700000000 ]  - [  -0.0008716100000000,  0.0000726100000000,  0.0002879800000000 ]  - [  -0.0002422000000000,  0.0001808500000000,  0.0002524100000000 ]  - [  -0.0025972800000000,  0.0004367500000000, -0.0004637500000000 ]  - [  -0.0010814200000000,  0.0007229500000000,  0.0006087100000000 ]  - [  -0.0010705800000000, -0.0002203300000000, -0.0002283900000000 ]  - [  -0.0002831900000000,  0.0002845300000000, -0.0000382900000000 ]  - [   0.0000661700000000, -0.0000238200000000,  0.0001052400000000 ]  - [  -0.0000942300000000,  0.0000027100000000,  0.0000330300000000 ]  - [  -0.0005978500000000, -0.0001579800000000,  0.0002278400000000 ]  - [  -0.0002629500000000,  0.0001011600000000,  0.0002749600000000 ]  - [  -0.0002753500000000,  0.0000847600000000,  0.0001116800000000 ]  - [   0.0000944900000000,  0.0002721100000000,  0.0002213400000000 ]  - [  -0.0006107700000000, -0.0004476100000000,  0.0003522100000000 ]  - [  -0.0004267400000000,  0.0003518800000000, -0.0000638600000000 ]  - [  -0.0006817800000000, -0.0001999000000000, -0.0000319500000000 ]  - [  -0.0002067700000000, -0.0000567100000000,  0.0002156400000000 ]  - [  -0.0005042500000000, -0.0001517000000000,  0.0001614500000000 ]  - [  -0.0053883900000000, -0.0001101100000000,  0.0010814800000000 ]  - [  -0.0000916000000000,  0.0003610600000000,  0.0000961700000000 ]  - [  -0.0003614600000000, -0.0003337500000000, -0.0001867400000000 ]  - [   0.0001837600000000,  0.0002880700000000, -0.0001143800000000 ]  - [   0.0001628000000000, -0.0002182500000000,  0.0001742600000000 ]  - [  -0.0010356500000000,  0.0022676000000000, -0.0008611000000000 ]  - [   0.0002766300000000,  0.0001795900000000,  0.0002824300000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001035000000000, -0.0005723200000000, -0.0006861700000000 ]  - [   0.0001158400000000,  0.0008317600000000, -0.0003605600000000 ]  - [   0.0004174200000000, -0.0021136700000000,  0.0004746200000000 ]  - [   0.0002833200000000, -0.0005506100000000,  0.0013192500000000 ]  - [  -0.0007151200000000,  0.0022205100000000, -0.0003694000000000 ]  - [   0.0002648900000000, -0.0002585800000000,  0.0000997100000000 ]  - [   0.0007768300000000, -0.0006289700000000,  0.0006324100000000 ]  - [  -0.0007050400000000,  0.0006780800000000,  0.0001509300000000 ]  - [  -0.0002465500000000, -0.0002458300000000, -0.0002955400000000 ]  - [  -0.0003279400000000, -0.0002070700000000, -0.0002165400000000 ]  - [  -0.0002046800000000, -0.0002657800000000,  0.0000421800000000 ]  - [   0.0015408400000000,  0.0016163900000000,  0.0003929400000000 ]  - [  -0.0022576300000000,  0.0657701200000000, -0.0177013700000000 ]  - [   0.0005251100000000,  0.0006871100000000, -0.0003924100000000 ]  - [   0.0007297300000000, -0.0027929400000000, -0.0003402500000000 ]  - [  -0.0001561400000000, -0.0003803700000000,  0.0002832700000000 ]  - [   0.0008012600000000, -0.0004263700000000,  0.0002485000000000 ]  - [  -0.0038282100000000,  0.0097171400000000,  0.0067120200000000 ]  - [  -0.0002744100000000, -0.0007726800000000, -0.0003170900000000 ]  - [   0.0000239000000000, -0.0001003800000000, -0.0003611900000000 ]  - [   0.0012190300000000, -0.0005852600000000, -0.0024263400000000 ]  - [  -0.0002070400000000,  0.0008837600000000,  0.0000191600000000 ]  - [  -0.0015267800000000, -0.0005613600000000,  0.0003556400000000 ]  - [   0.0003138600000000, -0.0004126600000000,  0.0001584000000000 ]  - [  -0.0002763800000000,  0.0005844800000000,  0.0000873700000000 ]  - [  -0.0002256000000000,  0.0001104800000000, -0.0000207800000000 ]  - [  -0.0002133300000000, -0.0004866500000000, -0.0003759400000000 ]  - [  -0.0001059400000000,  0.0000740400000000, -0.0000059800000000 ]  - [   0.0000996800000000, -0.0002729400000000,  0.0001368600000000 ]  - [  -0.0002921500000000,  0.0003426400000000,  0.0003033400000000 ]  - [   0.0002204300000000,  0.0002519500000000,  0.0003934300000000 ]  - [  -0.0001140600000000, -0.0005307400000000,  0.0002016900000000 ]  - [  -0.0029207100000000,  0.0009975600000000,  0.0005687200000000 ]  - [  -0.0001116100000000,  0.0005489900000000, -0.0000084500000000 ]  - [   0.0018355600000000, -0.0014717000000000,  0.0009963300000000 ]  - [   0.0003229900000000, -0.0002918200000000, -0.0000404700000000 ]  - [   0.0032530100000000,  0.0064989200000000, -0.0011739900000000 ]  - [  -0.0000633700000000, -0.0001982900000000, -0.0000788400000000 ]  - [  -0.0004984400000000, -0.0017914000000000,  0.0028316500000000 ]  - [   0.0002190000000000,  0.0015225700000000, -0.0033609600000000 ]  - [   0.0056746400000000, -0.1015569100000000,  0.0198186400000000 ]  - [  -0.0002256300000000,  0.0002542100000000, -0.0001746300000000 ]  - [   0.0002478600000000,  0.0011783400000000, -0.0000372000000000 ]  - [   0.0002079900000000,  0.0003149500000000, -0.0000278600000000 ]  - [   0.0021180900000000,  0.0051496200000000,  0.0008877800000000 ]  - [  -0.0001385300000000,  0.0003514300000000, -0.0002993900000000 ]  - [   0.0029639800000000,  0.0044810500000000, -0.0070712600000000 ]  - [   0.0003904900000000,  0.0004577500000000, -0.0004888300000000 ]  - [  -0.0003689500000000,  0.0005116100000000,  0.0001483900000000 ]  - [  -0.0001402500000000, -0.0000351800000000, -0.0000748100000000 ]  - [  -0.0051262400000000,  0.0052696400000000, -0.0023419200000000 ]  - [   0.0000750300000000, -0.0003172600000000, -0.0002452400000000 ]  - [  -0.0023617200000000, -0.0013137400000000,  0.0019009300000000 ]  - [  -0.0003527300000000, -0.0005505900000000, -0.0002738200000000 ]  - [   0.0003843400000000,  0.0010054700000000, -0.0000002700000000 ]  - [   0.0000865300000000,  0.0003500300000000, -0.0000417000000000 ]  - [   0.0006312400000000,  0.0005436700000000,  0.0000909600000000 ]  - [   0.0004404800000000,  0.0001838400000000, -0.0000376800000000 ]  - [   0.0004302600000000, -0.0001073500000000, -0.0002409100000000 ]  - [   0.0001031200000000,  0.0004802000000000, -0.0003968200000000 ]  - [  -0.0004123500000000, -0.0003694700000000,  0.0006515500000000 ]  - [  -0.0000081300000000,  0.0001105300000000,  0.0003072200000000 ]  - [   0.0001123000000000, -0.0006284300000000,  0.0002869600000000 ]  - [  -0.0003814300000000,  0.0003129300000000,  0.0003346400000000 ]  - [  -0.0000285000000000, -0.0004403700000000, -0.0001931900000000 ]  - [   0.0000293500000000,  0.0001655500000000, -0.0000547500000000 ]  - [   0.0001392900000000,  0.0000097500000000, -0.0000411100000000 ]  - [   0.0002962700000000,  0.0003651900000000,  0.0000923700000000 ]  - [  -0.0006252700000000,  0.0002634600000000,  0.0001566400000000 ]  - [  -0.0001604800000000,  0.0001810900000000,  0.0001380900000000 ]  - [   0.0003021400000000, -0.0003167800000000,  0.0003477300000000 ]  - [   0.0003474900000000,  0.0002574100000000,  0.0003205900000000 ]  - [   0.0002697400000000,  0.0001503100000000,  0.0000360100000000 ]  - [  -0.0002959800000000, -0.0000732600000000,  0.0001735500000000 ]  - [   0.0005493900000000, -0.0002897400000000,  0.0003578300000000 ]  - [   0.0001093700000000, -0.0001435900000000,  0.0002089700000000 ]  - [  -0.0001585500000000, -0.0002151600000000,  0.0000346400000000 ]  - [   0.0008671800000000, -0.0008428500000000, -0.0003108300000000 ]  - [  -0.0001097000000000,  0.0002822200000000, -0.0001196800000000 ]  - [  -0.0000735000000000,  0.0019507300000000,  0.0003463600000000 ]  - [   0.0000271500000000,  0.0006065900000000, -0.0003497700000000 ]  - [   0.0002447100000000, -0.0000205100000000,  0.0000478500000000 ]  - [  -0.0038061900000000,  0.0040833200000000, -0.0020157200000000 ]  - [   0.0001376700000000,  0.0005322100000000,  0.0002735100000000 ]- atom:   41  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001006400000000,  0.0005635900000000,  0.0006898200000000 ]  - [  -0.0001289000000000, -0.0008356400000000,  0.0003786900000000 ]  - [  -0.0008370500000000,  0.0025280700000000, -0.0000647200000000 ]  - [  -0.0006985300000000,  0.0001394400000000, -0.0009019900000000 ]  - [   0.0010921100000000, -0.0018080800000000,  0.0007811600000000 ]  - [   0.0001518000000000, -0.0001661200000000,  0.0003145800000000 ]  - [  -0.0007832800000000,  0.0006290300000000, -0.0006372900000000 ]  - [   0.0007058900000000, -0.0006713600000000, -0.0001529400000000 ]  - [  -0.0001673400000000,  0.0006614500000000, -0.0001189900000000 ]  - [  -0.0000879000000000, -0.0002081700000000, -0.0002026200000000 ]  - [   0.0006215900000000, -0.0001575900000000, -0.0004625300000000 ]  - [  -0.0011344900000000, -0.0011950000000000, -0.0008069400000000 ]  - [   0.0017233100000000, -0.0686741000000000,  0.0190562400000000 ]  - [  -0.0010717100000000, -0.0007443500000000,  0.0003951000000000 ]  - [  -0.0007319700000000,  0.0022473100000000,  0.0004084400000000 ]  - [   0.0001524900000000,  0.0009316500000000, -0.0002183500000000 ]  - [  -0.0007336500000000,  0.0004101000000000, -0.0008221000000000 ]  - [   0.0038202400000000, -0.0097146600000000, -0.0071051900000000 ]  - [   0.0002088200000000,  0.0007790700000000, -0.0002381400000000 ]  - [  -0.0000933900000000,  0.0000931600000000, -0.0002021500000000 ]  - [  -0.0012244900000000,  0.0000053400000000,  0.0025108300000000 ]  - [   0.0002104100000000, -0.0003333500000000,  0.0000415100000000 ]  - [   0.0020721500000000,  0.0006310200000000, -0.0003457400000000 ]  - [   0.0002424100000000,  0.0003453800000000, -0.0001528700000000 ]  - [  -0.0002716400000000, -0.0005206900000000, -0.0000945400000000 ]  - [  -0.0003261400000000, -0.0001703800000000,  0.0000206100000000 ]  - [   0.0002160400000000, -0.0000611200000000,  0.0003048500000000 ]  - [   0.0000987500000000,  0.0004889800000000, -0.0000654400000000 ]  - [  -0.0000313700000000,  0.0002461400000000,  0.0004128600000000 ]  - [   0.0003676700000000, -0.0003397000000000,  0.0002570100000000 ]  - [  -0.0002836000000000, -0.0002603000000000,  0.0001659600000000 ]  - [   0.0000475200000000,  0.0005362500000000,  0.0003504100000000 ]  - [   0.0029346400000000, -0.0015570000000000, -0.0006366800000000 ]  - [   0.0001079600000000,  0.0000075600000000, -0.0000614800000000 ]  - [  -0.0012825300000000,  0.0015449500000000, -0.0009980500000000 ]  - [   0.0002321500000000,  0.0002354400000000,  0.0000375300000000 ]  - [  -0.0034569100000000, -0.0071763300000000,  0.0005371900000000 ]  - [  -0.0000801000000000,  0.0007648300000000, -0.0005530400000000 ]  - [  -0.0000686800000000,  0.0011786100000000, -0.0029493600000000 ]  - [  -0.0007866500000000, -0.0009159900000000,  0.0032352300000000 ]  - [  -0.0055386100000000,  0.1041210300000000, -0.0211704000000000 ]  - [   0.0001789100000000,  0.0001453000000000,  0.0004193500000000 ]  - [   0.0001414200000000, -0.0009539500000000, -0.0000046100000000 ]  - [   0.0001788200000000, -0.0005444300000000, -0.0000146500000000 ]  - [  -0.0023210000000000, -0.0051123800000000, -0.0012662800000000 ]  - [  -0.0000920700000000, -0.0003057600000000, -0.0000946900000000 ]  - [  -0.0023222700000000, -0.0046300600000000,  0.0064829700000000 ]  - [   0.0002451300000000, -0.0003032900000000, -0.0000763800000000 ]  - [  -0.0002612300000000, -0.0006495800000000, -0.0007214600000000 ]  - [  -0.0004937800000000,  0.0001763500000000, -0.0004962700000000 ]  - [   0.0054282900000000, -0.0053872600000000,  0.0019767200000000 ]  - [   0.0001510400000000,  0.0003583500000000, -0.0001412100000000 ]  - [   0.0019371700000000,  0.0015812200000000, -0.0019232100000000 ]  - [  -0.0000429000000000,  0.0003187600000000,  0.0002331000000000 ]  - [  -0.0003388200000000, -0.0013901500000000,  0.0002322400000000 ]  - [  -0.0000393800000000,  0.0000482600000000,  0.0002885400000000 ]  - [  -0.0000541000000000,  0.0000954300000000, -0.0002422000000000 ]  - [   0.0001283400000000, -0.0008188800000000, -0.0001190800000000 ]  - [  -0.0002836300000000, -0.0004668800000000, -0.0003929800000000 ]  - [   0.0000492200000000,  0.0000853300000000, -0.0002303100000000 ]  - [   0.0002589200000000, -0.0001938900000000, -0.0000186400000000 ]  - [  -0.0001445900000000,  0.0004625300000000,  0.0003313300000000 ]  - [  -0.0006874100000000,  0.0000001200000000, -0.0001506500000000 ]  - [  -0.0001879100000000,  0.0003213300000000, -0.0001845400000000 ]  - [  -0.0000143800000000,  0.0000504900000000, -0.0000400600000000 ]  - [  -0.0000701100000000,  0.0002229900000000, -0.0001693700000000 ]  - [   0.0002570600000000, -0.0002391600000000,  0.0000832300000000 ]  - [   0.0001055200000000, -0.0001318400000000, -0.0000478300000000 ]  - [   0.0003751800000000, -0.0003127900000000,  0.0002362800000000 ]  - [  -0.0000735600000000, -0.0001347400000000,  0.0002601300000000 ]  - [   0.0003261000000000,  0.0001617900000000,  0.0002182100000000 ]  - [   0.0002815700000000, -0.0000945400000000,  0.0002439400000000 ]  - [  -0.0009067000000000, -0.0003096400000000,  0.0005364100000000 ]  - [  -0.0003368200000000,  0.0002258800000000,  0.0003978300000000 ]  - [  -0.0003194200000000,  0.0002463500000000,  0.0000275600000000 ]  - [   0.0001302200000000,  0.0001912300000000,  0.0001851900000000 ]  - [  -0.0002444300000000, -0.0000209800000000,  0.0000123400000000 ]  - [  -0.0012766300000000,  0.0010904900000000,  0.0003527700000000 ]  - [   0.0001527900000000,  0.0001091300000000, -0.0001134800000000 ]  - [   0.0001108200000000, -0.0023296600000000, -0.0005735900000000 ]  - [   0.0005420400000000,  0.0000273000000000,  0.0004913600000000 ]  - [   0.0003203100000000, -0.0006108600000000,  0.0001006400000000 ]  - [   0.0039142900000000, -0.0045954000000000,  0.0026141900000000 ]  - [   0.0000103200000000,  0.0000390100000000,  0.0003606900000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002030900000000, -0.0008979200000000, -0.0000266400000000 ]  - [   0.0006340000000000, -0.0013365000000000, -0.0002261200000000 ]  - [  -0.0001037600000000,  0.0007102800000000,  0.0004965900000000 ]  - [  -0.0005046700000000,  0.0004196800000000, -0.0008671700000000 ]  - [   0.0019382100000000,  0.0001188300000000,  0.0027164500000000 ]  - [   0.0002289700000000, -0.0006994000000000, -0.0007921600000000 ]  - [  -0.0003778700000000,  0.0002602400000000, -0.0001863100000000 ]  - [   0.0008420700000000,  0.0004568400000000, -0.0003466000000000 ]  - [  -0.0001822000000000,  0.0001383400000000, -0.0000230900000000 ]  - [  -0.0001675800000000, -0.0002892800000000, -0.0003741600000000 ]  - [   0.0014689600000000,  0.0001719400000000, -0.0010837500000000 ]  - [  -0.0021345700000000,  0.0003583800000000,  0.0003516600000000 ]  - [  -0.0011581500000000, -0.0175127000000000,  0.0123443800000000 ]  - [   0.0017853700000000,  0.0011341100000000, -0.0043343500000000 ]  - [  -0.0008671500000000,  0.0011274600000000,  0.0016104600000000 ]  - [   0.0000785400000000,  0.0003269700000000, -0.0004814100000000 ]  - [  -0.0031054600000000,  0.0020334200000000, -0.0030154000000000 ]  - [  -0.0207821100000000,  0.0067188400000000,  0.0521532900000000 ]  - [   0.0002699400000000, -0.0000488200000000,  0.0001849700000000 ]  - [  -0.0001786000000000, -0.0008963400000000, -0.0005590300000000 ]  - [  -0.0003582000000000, -0.0029937000000000,  0.0029053200000000 ]  - [   0.0000666200000000,  0.0004406300000000, -0.0015630100000000 ]  - [   0.0004047800000000,  0.0000751700000000, -0.0000577500000000 ]  - [   0.0002666800000000, -0.0000567800000000, -0.0001795400000000 ]  - [   0.0002488400000000, -0.0001703200000000,  0.0004307900000000 ]  - [  -0.0003066200000000, -0.0000496600000000, -0.0005303100000000 ]  - [  -0.0000770000000000, -0.0003862400000000,  0.0003772700000000 ]  - [  -0.0000782300000000,  0.0002848500000000, -0.0003027700000000 ]  - [  -0.0002271200000000, -0.0006618600000000, -0.0002139200000000 ]  - [   0.0006313500000000, -0.0008253200000000,  0.0009082600000000 ]  - [   0.0000453900000000,  0.0001839100000000, -0.0000960400000000 ]  - [  -0.0000500100000000,  0.0001891400000000,  0.0006789700000000 ]  - [   0.0001641800000000,  0.0004245900000000,  0.0007239400000000 ]  - [  -0.0003511300000000,  0.0005418000000000, -0.0007088500000000 ]  - [   0.0000375700000000,  0.0003032400000000, -0.0005328600000000 ]  - [   0.0003931000000000,  0.0000119800000000, -0.0000996900000000 ]  - [   0.0003421700000000, -0.0001755600000000, -0.0017292100000000 ]  - [   0.0002736200000000, -0.0000858600000000,  0.0011614200000000 ]  - [  -0.0010465200000000,  0.0009883300000000,  0.0120085500000000 ]  - [  -0.0013617400000000, -0.0070436800000000,  0.0110933300000000 ]  - [   0.0281510100000000,  0.0205711200000000, -0.0948329700000000 ]  - [  -0.0002946900000000,  0.0004802900000000,  0.0043820300000000 ]  - [   0.0001969200000000, -0.0002178100000000, -0.0003197800000000 ]  - [   0.0001716000000000, -0.0000468900000000,  0.0002916500000000 ]  - [   0.0000153600000000,  0.0002064400000000, -0.0011129200000000 ]  - [  -0.0001517200000000, -0.0000696600000000,  0.0000919400000000 ]  - [  -0.0011994600000000, -0.0035237200000000,  0.0034439400000000 ]  - [   0.0004978700000000, -0.0003153300000000,  0.0001408800000000 ]  - [  -0.0003663100000000,  0.0004580600000000, -0.0007821800000000 ]  - [   0.0001394000000000,  0.0006141800000000,  0.0006098000000000 ]  - [   0.0022915300000000, -0.0024443700000000, -0.0016014100000000 ]  - [  -0.0002735600000000, -0.0000418400000000,  0.0009299000000000 ]  - [  -0.0054755500000000,  0.0023745000000000,  0.0023774700000000 ]  - [   0.0002223400000000, -0.0002343200000000,  0.0007635400000000 ]  - [  -0.0000237500000000, -0.0003179000000000, -0.0000513300000000 ]  - [   0.0000401100000000,  0.0003076400000000,  0.0006435100000000 ]  - [   0.0003807000000000,  0.0004532200000000, -0.0001451100000000 ]  - [   0.0001950100000000, -0.0005080300000000,  0.0000623800000000 ]  - [   0.0000131100000000, -0.0001650900000000, -0.0006644900000000 ]  - [   0.0000896700000000,  0.0003515300000000, -0.0001760700000000 ]  - [   0.0000613300000000,  0.0000866300000000, -0.0002628000000000 ]  - [  -0.0000379300000000,  0.0004247100000000,  0.0007829200000000 ]  - [  -0.0002401100000000, -0.0005692500000000,  0.0006855100000000 ]  - [  -0.0008687800000000,  0.0007960200000000,  0.0003738400000000 ]  - [  -0.0001572100000000, -0.0000969900000000, -0.0011063800000000 ]  - [   0.0000853000000000,  0.0002203600000000,  0.0006258200000000 ]  - [   0.0001002400000000, -0.0001371100000000,  0.0001508200000000 ]  - [   0.0001287700000000,  0.0001480700000000, -0.0001524400000000 ]  - [   0.0000918700000000, -0.0000600500000000,  0.0000439000000000 ]  - [  -0.0002113100000000, -0.0000825500000000,  0.0003379900000000 ]  - [   0.0000722300000000,  0.0002050700000000,  0.0001325100000000 ]  - [   0.0003358000000000,  0.0002323700000000,  0.0004357000000000 ]  - [  -0.0003629900000000, -0.0002846300000000,  0.0000920000000000 ]  - [  -0.0002805600000000, -0.0002043200000000,  0.0007350800000000 ]  - [   0.0001988800000000,  0.0000731700000000, -0.0002316300000000 ]  - [   0.0000089400000000, -0.0000104600000000,  0.0005820400000000 ]  - [   0.0002853900000000,  0.0000275400000000,  0.0005114500000000 ]  - [  -0.0023491900000000, -0.0000431200000000, -0.0006702100000000 ]  - [  -0.0001694000000000,  0.0002026900000000,  0.0003944600000000 ]  - [   0.0001074200000000, -0.0006180000000000, -0.0003824000000000 ]  - [   0.0004750200000000,  0.0003334100000000,  0.0001177200000000 ]  - [   0.0002500500000000, -0.0001825800000000,  0.0000057300000000 ]  - [   0.0013727800000000, -0.0019552900000000,  0.0003890800000000 ]  - [  -0.0000146500000000,  0.0002732600000000,  0.0005429800000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0002218800000000,  0.0008718900000000,  0.0000288400000000 ]  - [  -0.0006802800000000,  0.0013975200000000,  0.0003110900000000 ]  - [  -0.0002963300000000, -0.0003202900000000, -0.0000901600000000 ]  - [   0.0001041400000000, -0.0008139600000000,  0.0012655100000000 ]  - [  -0.0015088900000000,  0.0002960500000000, -0.0023136400000000 ]  - [   0.0001615600000000,  0.0002925200000000,  0.0011979000000000 ]  - [   0.0003629200000000, -0.0002615100000000,  0.0001749300000000 ]  - [  -0.0008419800000000, -0.0004527500000000,  0.0003463700000000 ]  - [  -0.0002333200000000,  0.0002467300000000, -0.0003659600000000 ]  - [  -0.0002324600000000, -0.0001324600000000, -0.0000351100000000 ]  - [  -0.0010579100000000, -0.0005589400000000,  0.0006807900000000 ]  - [   0.0025186900000000,  0.0000623900000000, -0.0007721000000000 ]  - [   0.0005936300000000,  0.0172275700000000, -0.0123163600000000 ]  - [  -0.0023522000000000, -0.0011847900000000,  0.0044063400000000 ]  - [   0.0007918400000000, -0.0016965200000000, -0.0015553400000000 ]  - [  -0.0001298200000000,  0.0002247400000000,  0.0005529300000000 ]  - [   0.0031667000000000, -0.0021068700000000,  0.0024317800000000 ]  - [   0.0221784100000000, -0.0067837000000000, -0.0553206600000000 ]  - [  -0.0003349800000000,  0.0001087900000000, -0.0007759600000000 ]  - [   0.0001053400000000,  0.0008104100000000, -0.0000054500000000 ]  - [   0.0004133700000000,  0.0023974800000000, -0.0028648000000000 ]  - [  -0.0000062500000000,  0.0001409300000000,  0.0016059200000000 ]  - [   0.0001672900000000, -0.0000235600000000,  0.0001214300000000 ]  - [   0.0002842700000000, -0.0000193300000000,  0.0002511300000000 ]  - [  -0.0008246300000000,  0.0002399800000000, -0.0004703900000000 ]  - [  -0.0002549200000000,  0.0000254500000000,  0.0004648900000000 ]  - [   0.0000368900000000, -0.0001701900000000, -0.0004236800000000 ]  - [  -0.0000088500000000,  0.0002759100000000,  0.0002433800000000 ]  - [   0.0002857700000000,  0.0006037100000000,  0.0007728500000000 ]  - [  -0.0005801400000000,  0.0009082600000000, -0.0003323700000000 ]  - [  -0.0000926200000000, -0.0002522900000000,  0.0006773000000000 ]  - [  -0.0000179300000000, -0.0001429900000000, -0.0001168200000000 ]  - [  -0.0001074800000000, -0.0009709000000000, -0.0007720000000000 ]  - [   0.0003956700000000,  0.0000360200000000,  0.0006577900000000 ]  - [   0.0005263100000000, -0.0002531500000000,  0.0004609900000000 ]  - [   0.0001948400000000, -0.0000790100000000,  0.0000402100000000 ]  - [  -0.0004730900000000, -0.0004479800000000,  0.0010618900000000 ]  - [  -0.0003113700000000,  0.0007342300000000, -0.0018035600000000 ]  - [   0.0003916300000000, -0.0016668000000000, -0.0122617100000000 ]  - [   0.0006706100000000,  0.0076045700000000, -0.0109858600000000 ]  - [  -0.0294121500000000, -0.0204507700000000,  0.0978257700000000 ]  - [   0.0003134500000000, -0.0001029300000000, -0.0041198000000000 ]  - [   0.0001476400000000,  0.0004940500000000,  0.0003182000000000 ]  - [   0.0001724800000000, -0.0002489000000000, -0.0003011400000000 ]  - [  -0.0002559200000000, -0.0002186300000000,  0.0007702400000000 ]  - [  -0.0001471900000000,  0.0000807400000000, -0.0004341300000000 ]  - [   0.0018960500000000,  0.0034388500000000, -0.0041781200000000 ]  - [   0.0001635800000000,  0.0004485900000000, -0.0008117000000000 ]  - [  -0.0002958000000000, -0.0005303600000000,  0.0000937000000000 ]  - [  -0.0008038700000000, -0.0005076700000000, -0.0012984400000000 ]  - [  -0.0020354500000000,  0.0024766200000000,  0.0012458700000000 ]  - [   0.0004959400000000,  0.0000244900000000, -0.0012383700000000 ]  - [   0.0051268000000000, -0.0020263800000000, -0.0024136100000000 ]  - [  -0.0006131100000000, -0.0001170400000000, -0.0007783600000000 ]  - [   0.0000389500000000, -0.0000680200000000,  0.0003819400000000 ]  - [  -0.0000358400000000,  0.0000258500000000, -0.0003690100000000 ]  - [   0.0002794200000000,  0.0001982000000000,  0.0000149300000000 ]  - [   0.0004986800000000, -0.0001498500000000, -0.0001208100000000 ]  - [   0.0000098600000000, -0.0004855300000000,  0.0000300500000000 ]  - [   0.0000743700000000,  0.0003263400000000, -0.0004879600000000 ]  - [  -0.0001025000000000, -0.0007641500000000,  0.0009182400000000 ]  - [   0.0000114800000000,  0.0002408600000000, -0.0001324500000000 ]  - [  -0.0004484500000000, -0.0001010600000000, -0.0005819900000000 ]  - [   0.0002283600000000, -0.0001700000000000, -0.0003357500000000 ]  - [   0.0001477000000000, -0.0002635700000000,  0.0007903000000000 ]  - [  -0.0000663900000000,  0.0001313000000000, -0.0008622800000000 ]  - [   0.0002289500000000, -0.0000682300000000, -0.0001722900000000 ]  - [   0.0002002700000000,  0.0001495000000000,  0.0001574000000000 ]  - [  -0.0003607200000000,  0.0000673900000000,  0.0002872000000000 ]  - [  -0.0000705500000000,  0.0000825300000000,  0.0000578100000000 ]  - [   0.0005913000000000, -0.0002764400000000,  0.0005567600000000 ]  - [   0.0002821500000000, -0.0001402700000000,  0.0001878000000000 ]  - [  -0.0002635200000000,  0.0002610200000000,  0.0005464900000000 ]  - [  -0.0003829000000000,  0.0002639100000000, -0.0000476600000000 ]  - [   0.0001130800000000, -0.0000810100000000,  0.0006207600000000 ]  - [   0.0002508000000000,  0.0000026100000000, -0.0002454600000000 ]  - [  -0.0006882900000000, -0.0003571300000000, -0.0005038500000000 ]  - [   0.0020371200000000,  0.0002532800000000,  0.0006384400000000 ]  - [   0.0001802000000000,  0.0001927800000000, -0.0007258300000000 ]  - [  -0.0000993300000000,  0.0002789300000000,  0.0000842200000000 ]  - [   0.0002081400000000,  0.0003306700000000, -0.0000171800000000 ]  - [   0.0004181600000000, -0.0004724300000000,  0.0001288400000000 ]  - [  -0.0013020500000000,  0.0012854700000000,  0.0002642900000000 ]  - [   0.0000427600000000,  0.0003793300000000,  0.0000846300000000 ]