# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c756ce72-2f13-4748-8a79-4e57b68e598e/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 Al5C3N / P6_3/mmc (194) / materials id 5496](https://mdr.nims.go.jp/datasets/98fd98b8-a835-4780-a01e-ea9e343d6274)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     3.331822560000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.665911280000000,     2.885442980000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.827100040000001 ] # c  points:  - symbol: C  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.140247310000000 ]    mass: 12.010700  - symbol: C  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.640247310000000 ]    mass: 12.010700  - symbol: C  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.859752690000000 ]    mass: 12.010700  - symbol: C  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.359752690000000 ]    mass: 12.010700  - symbol: C  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700  - symbol: C  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 12.010700  - symbol: N  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 14.006700  - symbol: Al # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 26.981539  - symbol: Al # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 26.981539  - symbol: Al # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.846165760000000 ]    mass: 26.981539  - symbol: Al # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.346165760000000 ]    mass: 26.981539  - symbol: Al # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.952119730000000 ]    mass: 26.981539  - symbol: Al # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.452119730000000 ]    mass: 26.981539  - symbol: Al # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.547880270000000 ]    mass: 26.981539  - symbol: Al # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.047880270000000 ]    mass: 26.981539  - symbol: Al # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.653834240000000 ]    mass: 26.981539  - symbol: Al # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.153834240000000 ]    mass: 26.981539  reciprocal_lattice: # without 2pi  - [     0.300136031253717,     0.173283618309449,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.346567236618899,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.048014365806062 ] # c*unit_cell:  lattice:  - [     3.331822560000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.665911280000000,     2.885442980000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.827100040000001 ] # c  points:  - symbol: C  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.140247310000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.640247310000000 ]    mass: 12.010700    reduced_to: 2  - symbol: C  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.859752690000000 ]    mass: 12.010700    reduced_to: 3  - symbol: C  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.359752690000000 ]    mass: 12.010700    reduced_to: 4  - symbol: C  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 12.010700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: Al # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 10  - symbol: Al # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.846165760000000 ]    mass: 26.981539    reduced_to: 11  - symbol: Al # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.346165760000000 ]    mass: 26.981539    reduced_to: 12  - symbol: Al # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.952119730000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.452119730000000 ]    mass: 26.981539    reduced_to: 14  - symbol: Al # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.547880270000000 ]    mass: 26.981539    reduced_to: 15  - symbol: Al # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.047880270000000 ]    mass: 26.981539    reduced_to: 16  - symbol: Al # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.653834240000000 ]    mass: 26.981539    reduced_to: 17  - symbol: Al # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.153834240000000 ]    mass: 26.981539    reduced_to: 18supercell:  lattice:  - [     6.663645120000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.331822560000000,     5.770885960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.827100040000001 ] # c  points:  - symbol: C  # 1    coordinates: [  0.166666665000000,  0.333333335000000,  0.140247310000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.666666665000000,  0.333333335000000,  0.140247310000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 3    coordinates: [  0.166666665000000,  0.833333335000000,  0.140247310000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.666666665000000,  0.833333335000000,  0.140247310000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 5    coordinates: [  0.333333335000000,  0.166666665000000,  0.640247310000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 6    coordinates: [  0.833333335000000,  0.166666665000000,  0.640247310000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 7    coordinates: [  0.333333335000000,  0.666666665000000,  0.640247310000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 8    coordinates: [  0.833333335000000,  0.666666665000000,  0.640247310000000 ]    mass: 12.010700    reduced_to: 5  - symbol: C  # 9    coordinates: [  0.333333335000000,  0.166666665000000,  0.859752690000000 ]    mass: 12.010700    reduced_to: 9  - symbol: C  # 10    coordinates: [  0.833333335000000,  0.166666665000000,  0.859752690000000 ]    mass: 12.010700    reduced_to: 9  - symbol: C  # 11    coordinates: [  0.333333335000000,  0.666666665000000,  0.859752690000000 ]    mass: 12.010700    reduced_to: 9  - symbol: C  # 12    coordinates: [  0.833333335000000,  0.666666665000000,  0.859752690000000 ]    mass: 12.010700    reduced_to: 9  - symbol: C  # 13    coordinates: [  0.166666665000000,  0.333333335000000,  0.359752690000000 ]    mass: 12.010700    reduced_to: 13  - symbol: C  # 14    coordinates: [  0.666666665000000,  0.333333335000000,  0.359752690000000 ]    mass: 12.010700    reduced_to: 13  - symbol: C  # 15    coordinates: [  0.166666665000000,  0.833333335000000,  0.359752690000000 ]    mass: 12.010700    reduced_to: 13  - symbol: C  # 16    coordinates: [  0.666666665000000,  0.833333335000000,  0.359752690000000 ]    mass: 12.010700    reduced_to: 13  - symbol: C  # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 17  - symbol: C  # 18    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 17  - symbol: C  # 19    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 17  - symbol: C  # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 12.010700    reduced_to: 17  - symbol: C  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 12.010700    reduced_to: 21  - symbol: C  # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 12.010700    reduced_to: 21  - symbol: C  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 12.010700    reduced_to: 21  - symbol: C  # 24    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 12.010700    reduced_to: 21  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 27    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 28    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: Al # 33    coordinates: [  0.166666665000000,  0.333333335000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 33  - symbol: Al # 34    coordinates: [  0.666666665000000,  0.333333335000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 33  - symbol: Al # 35    coordinates: [  0.166666665000000,  0.833333335000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 33  - symbol: Al # 36    coordinates: [  0.666666665000000,  0.833333335000000,  0.250000000000000 ]    mass: 26.981539    reduced_to: 33  - symbol: Al # 37    coordinates: [  0.333333335000000,  0.166666665000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 38    coordinates: [  0.833333335000000,  0.166666665000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 39    coordinates: [  0.333333335000000,  0.666666665000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 40    coordinates: [  0.833333335000000,  0.666666665000000,  0.750000000000000 ]    mass: 26.981539    reduced_to: 37  - symbol: Al # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.846165760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 42    coordinates: [  0.500000000000000,  0.000000000000000,  0.846165760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 43    coordinates: [  0.000000000000000,  0.500000000000000,  0.846165760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.846165760000000 ]    mass: 26.981539    reduced_to: 41  - symbol: Al # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.346165760000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.346165760000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 47    coordinates: [  0.000000000000000,  0.500000000000000,  0.346165760000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.346165760000000 ]    mass: 26.981539    reduced_to: 45  - symbol: Al # 49    coordinates: [  0.333333335000000,  0.166666665000000,  0.952119730000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.833333335000000,  0.166666665000000,  0.952119730000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 51    coordinates: [  0.333333335000000,  0.666666665000000,  0.952119730000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 52    coordinates: [  0.833333335000000,  0.666666665000000,  0.952119730000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 53    coordinates: [  0.166666665000000,  0.333333335000000,  0.452119730000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.666666665000000,  0.333333335000000,  0.452119730000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 55    coordinates: [  0.166666665000000,  0.833333335000000,  0.452119730000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 56    coordinates: [  0.666666665000000,  0.833333335000000,  0.452119730000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 57    coordinates: [  0.333333335000000,  0.166666665000000,  0.547880270000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.833333335000000,  0.166666665000000,  0.547880270000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 59    coordinates: [  0.333333335000000,  0.666666665000000,  0.547880270000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 60    coordinates: [  0.833333335000000,  0.666666665000000,  0.547880270000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 61    coordinates: [  0.166666665000000,  0.333333335000000,  0.047880270000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 62    coordinates: [  0.666666665000000,  0.333333335000000,  0.047880270000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 63    coordinates: [  0.166666665000000,  0.833333335000000,  0.047880270000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 64    coordinates: [  0.666666665000000,  0.833333335000000,  0.047880270000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.653834240000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.653834240000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 67    coordinates: [  0.000000000000000,  0.500000000000000,  0.653834240000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.653834240000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.153834240000000 ]    mass: 26.981539    reduced_to: 69  - symbol: Al # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.153834240000000 ]    mass: 26.981539    reduced_to: 69  - symbol: Al # 71    coordinates: [  0.000000000000000,  0.500000000000000,  0.153834240000000 ]    mass: 26.981539    reduced_to: 69  - symbol: Al # 72    coordinates: [  0.500000000000000,  0.500000000000000,  0.153834240000000 ]    mass: 26.981539    reduced_to: 69born_effective_charge:- # 1 (C)  - [ -2.843011600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.843011600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.413060080000000 ]- # 2 (C)  - [ -2.843011600000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.843011600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.413060080000000 ]- # 3 (C)  - [ -2.843011600000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.843011600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.413060080000000 ]- # 4 (C)  - [ -2.843011600000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.843011600000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.413060080000000 ]- # 5 (C)  - [ -4.028435220000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -4.028435220000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.908963690000000 ]- # 6 (C)  - [ -4.028435220000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -4.028435220000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.908963690000000 ]- # 7 (N)  - [ -2.561430910000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.561430910000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.372550080000000 ]- # 8 (N)  - [ -2.561430910000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.561430910000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -4.372550080000000 ]- # 9 (Al)  - [  2.350623050000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.350623050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.414869860000000 ]- # 10 (Al)  - [  2.350623050000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.350623050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.414869860000000 ]- # 11 (Al)  - [  2.418243760000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.418243760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.458853190000000 ]- # 12 (Al)  - [  2.418243760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.418243760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.458853190000000 ]- # 13 (Al)  - [  2.544389380000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.544389380000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.387528840000000 ]- # 14 (Al)  - [  2.544389380000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.544389380000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.387528840000000 ]- # 15 (Al)  - [  2.544389380000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.544389380000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.387528840000000 ]- # 16 (Al)  - [  2.544389380000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.544389380000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.387528840000000 ]- # 17 (Al)  - [  2.418243760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.418243760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.458853190000000 ]- # 18 (Al)  - [  2.418243760000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.418243760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.458853190000000 ]dielectric_constant:  - [  7.151876570000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  7.151876560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.042770859999999 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2154145000000000, -0.0028293000000000,  0.0009200800000000 ]  - [   0.0261088800000000, -0.0000075000000000,  0.0019147800000000 ]  - [   0.0039808400000000, -0.0127767500000000,  0.0023815300000000 ]  - [   0.0039779600000000,  0.0127757400000000,  0.0014434900000000 ]  - [   0.0000050500000000,  0.0000252300000000,  0.0020121600000000 ]  - [   0.0000051200000000, -0.0000247500000000,  0.0018092800000000 ]  - [   0.0000483900000000, -0.0000000400000000,  0.0019109300000000 ]  - [  -0.0000183200000000, -0.0000000300000000,  0.0019105800000000 ]  - [  -0.0000479500000000, -0.0001793900000000, -0.0020582100000000 ]  - [  -0.0000475200000000,  0.0001782000000000, -0.0017685000000000 ]  - [  -0.0003576000000000,  0.0000007800000000, -0.0019168100000000 ]  - [   0.0007574800000000,  0.0000020700000000, -0.0019156900000000 ]  - [  -0.0004861400000000, -0.0000015400000000, -0.0019139400000000 ]  - [   0.0008099100000000, -0.0000013100000000, -0.0019138100000000 ]  - [  -0.0002419600000000, -0.0006045600000000, -0.0033051400000000 ]  - [  -0.0002390600000000,  0.0006083600000000, -0.0005236200000000 ]  - [   0.0002179100000000,  0.0000005100000000, -0.0000007900000000 ]  - [  -0.0003557900000000, -0.0000003600000000, -0.0000013100000000 ]  - [   0.0000035100000000,  0.0001239800000000, -0.0000260500000000 ]  - [   0.0000025100000000, -0.0001242500000000,  0.0000229300000000 ]  - [  -0.0014913000000000,  0.0000051300000000,  0.0000100100000000 ]  - [  -0.0000400500000000, -0.0000016600000000,  0.0000020000000000 ]  - [   0.0019665100000000, -0.0019876900000000,  0.0033618200000000 ]  - [   0.0019723800000000,  0.0020085300000000, -0.0034004100000000 ]  - [  -0.0038259400000000,  0.0000211500000000, -0.0000330500000000 ]  - [   0.0000721200000000, -0.0000036500000000,  0.0000021200000000 ]  - [   0.0044825300000000, -0.0047763600000000, -0.0084828700000000 ]  - [   0.0044887200000000,  0.0048211700000000,  0.0085383900000000 ]  - [  -0.0001563700000000, -0.0000005400000000, -0.0000020200000000 ]  - [   0.0000963000000000, -0.0000000300000000, -0.0000021300000000 ]  - [   0.0000398200000000, -0.0001139700000000, -0.0001559800000000 ]  - [   0.0000408800000000,  0.0001130200000000,  0.0001523700000000 ]  - [   0.0133935000000000,  0.0000074600000000,  0.0000328400000000 ]  - [  -0.0045634900000000, -0.0000020600000000, -0.0000167000000000 ]  - [   0.0002260500000000,  0.0027639300000000, -0.0012396200000000 ]  - [   0.0002202700000000, -0.0027632700000000,  0.0012418000000000 ]  - [  -0.0000064600000000, -0.0000819400000000,  0.0000575000000000 ]  - [  -0.0000054600000000,  0.0000796300000000, -0.0000539100000000 ]  - [  -0.0001459100000000,  0.0000009600000000,  0.0000035000000000 ]  - [   0.0002414300000000,  0.0000017100000000,  0.0000014400000000 ]  - [   0.0002251800000000, -0.0000007300000000,  0.0012403100000000 ]  - [  -0.0001668100000000, -0.0000010800000000,  0.0012423100000000 ]  - [   0.0000137400000000,  0.0001228800000000,  0.0005313600000000 ]  - [   0.0000133300000000, -0.0001214200000000,  0.0019586500000000 ]  - [  -0.0009963700000000,  0.0000032300000000,  0.0012476600000000 ]  - [   0.0008094400000000,  0.0000015400000000,  0.0012403800000000 ]  - [   0.0004646600000000, -0.0008440500000000,  0.0037532400000000 ]  - [   0.0004645900000000,  0.0008430600000000, -0.0012693400000000 ]  - [   0.0001270400000000,  0.0012425400000000,  0.0032057700000000 ]  - [   0.0001213300000000, -0.0012356600000000,  0.0021685100000000 ]  - [   0.0022703400000000, -0.0000018900000000,  0.0026872100000000 ]  - [  -0.0034360600000000, -0.0000045500000000,  0.0026845700000000 ]  - [  -0.0000938500000000, -0.0000005600000000,  0.0026858800000000 ]  - [   0.0001084400000000, -0.0000002400000000,  0.0026853800000000 ]  - [  -0.0000401700000000, -0.0000855400000000,  0.0031160800000000 ]  - [  -0.0000395300000000,  0.0000857000000000,  0.0022580600000000 ]  - [   0.0000133100000000, -0.0000198400000000, -0.0026401300000000 ]  - [   0.0000134200000000,  0.0000198900000000, -0.0027272300000000 ]  - [  -0.0000210700000000,  0.0000001400000000, -0.0026839800000000 ]  - [   0.0000163700000000,  0.0000001900000000, -0.0026840000000000 ]  - [   0.0098996400000000,  0.0000136800000000, -0.0024444400000000 ]  - [  -0.0028202800000000, -0.0000018900000000, -0.0026679100000000 ]  - [  -0.0000194100000000,  0.0016126700000000, -0.0012713100000000 ]  - [  -0.0000274400000000, -0.0016168700000000, -0.0041105700000000 ]  - [   0.0000118500000000,  0.0000002600000000, -0.0012402700000000 ]  - [  -0.0000252900000000,  0.0000001300000000, -0.0012398900000000 ]  - [   0.0000002300000000,  0.0000061700000000, -0.0011928200000000 ]  - [   0.0000000800000000, -0.0000071600000000, -0.0012884300000000 ]  - [   0.0114524000000000,  0.0002537600000000, -0.0012623600000000 ]  - [  -0.0018197000000000,  0.0000259900000000, -0.0012436900000000 ]  - [   0.0722099300000000, -0.0348262500000000, -0.0131838600000000 ]  - [   0.0755564200000000,  0.0372793000000000,  0.0114458700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.1899970900000000 ]  - [   0.0000000000000000, -0.0005499600000000, -0.0091287100000000 ]  - [   0.0004762800000000,  0.0002749800000000, -0.0091287100000000 ]  - [  -0.0004762800000000,  0.0002749800000000, -0.0091287100000000 ]  - [  -0.0001011800000000,  0.0000584200000000,  0.0052745000000000 ]  - [   0.0001011800000000,  0.0000584200000000,  0.0052745000000000 ]  - [   0.0000000000000000, -0.0001168300000000,  0.0052745000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052076500000000 ]  - [  -0.0001442100000000,  0.0000832600000000,  0.0006475800000000 ]  - [   0.0001442100000000,  0.0000832600000000,  0.0006475800000000 ]  - [   0.0000000000000000, -0.0001665200000000,  0.0006475800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036998700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013827800000000 ]  - [   0.0000000000000000, -0.0016071100000000,  0.0016457400000000 ]  - [   0.0013918000000000,  0.0008035500000000,  0.0016457400000000 ]  - [  -0.0013918000000000,  0.0008035500000000,  0.0016457400000000 ]  - [   0.0000000000000000, -0.0000976500000000,  0.0027201400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033133400000000 ]  - [  -0.0000845700000000,  0.0000488300000000,  0.0027201400000000 ]  - [   0.0000845700000000,  0.0000488300000000,  0.0027201400000000 ]  - [   0.0000000000000000,  0.0057142500000000,  0.0043554600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022508000000000 ]  - [   0.0049486800000000, -0.0028571200000000,  0.0043554600000000 ]  - [  -0.0049486800000000, -0.0028571200000000,  0.0043554600000000 ]  - [   0.0000000000000000, -0.0158439900000000,  0.0102269100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049262400000000 ]  - [  -0.0137213000000000,  0.0079219900000000,  0.0102269100000000 ]  - [   0.0137213000000000,  0.0079219900000000,  0.0102269100000000 ]  - [   0.0000000000000000, -0.0006066600000000,  0.0044511100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038956600000000 ]  - [  -0.0005253900000000,  0.0003033300000000,  0.0044511100000000 ]  - [   0.0005253900000000,  0.0003033300000000,  0.0044511100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0127475800000000 ]  - [   0.0000000000000000,  0.0061500300000000,  0.0058693500000000 ]  - [  -0.0053260800000000, -0.0030750200000000,  0.0058693500000000 ]  - [   0.0053260800000000, -0.0030750200000000,  0.0058693500000000 ]  - [   0.0001447500000000, -0.0000835700000000, -0.0039312400000000 ]  - [  -0.0001447500000000, -0.0000835700000000, -0.0039312400000000 ]  - [   0.0000000000000000,  0.0001671500000000, -0.0039312400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055836800000000 ]  - [   0.0000000000000000,  0.0016607100000000, -0.0013911700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003195800000000 ]  - [   0.0014382200000000, -0.0008303600000000, -0.0013911700000000 ]  - [  -0.0014382200000000, -0.0008303600000000, -0.0013911700000000 ]  - [   0.0000000000000000, -0.0012899000000000, -0.0027105200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027071700000000 ]  - [  -0.0011170800000000,  0.0006449500000000, -0.0027105200000000 ]  - [   0.0011170800000000,  0.0006449500000000, -0.0027105200000000 ]  - [   0.0016861500000000, -0.0009735000000000, -0.0003714300000000 ]  - [  -0.0016861500000000, -0.0009735000000000, -0.0003714300000000 ]  - [   0.0000000000000000,  0.0019470000000000, -0.0003714300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015652700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003935600000000 ]  - [   0.0000000000000000, -0.0004403800000000,  0.0003120500000000 ]  - [   0.0003813800000000,  0.0002201900000000,  0.0003120500000000 ]  - [  -0.0003813800000000,  0.0002201900000000,  0.0003120500000000 ]  - [   0.0001645000000000, -0.0000949800000000, -0.0050682400000000 ]  - [  -0.0001645000000000, -0.0000949800000000, -0.0050682400000000 ]  - [   0.0000000000000000,  0.0001899500000000, -0.0050682400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0050195300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1042024000000000 ]  - [   0.0000000000000000, -0.0025138800000000,  0.0036168500000000 ]  - [   0.0021770800000000,  0.0012569400000000,  0.0036168500000000 ]  - [  -0.0021770800000000,  0.0012569400000000,  0.0036168500000000 ]  - [   0.0000000000000000, -0.0000366200000000, -0.0036958500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035741500000000 ]  - [  -0.0000317200000000,  0.0000183100000000, -0.0036958500000000 ]  - [   0.0000317200000000,  0.0000183100000000, -0.0036958500000000 ]  - [   0.0000000000000000, -0.0115906300000000,  0.0190587600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024070900000000 ]  - [  -0.0100377800000000,  0.0057953200000000,  0.0190587600000000 ]  - [   0.0100377800000000,  0.0057953200000000,  0.0190587600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.1993346300000000 ]  - [   0.0000000000000000,  0.0005330600000000,  0.0129666400000000 ]  - [  -0.0004616500000000, -0.0002665300000000,  0.0129666400000000 ]  - [   0.0004616500000000, -0.0002665300000000,  0.0129666400000000 ]  - [   0.0001011600000000, -0.0000584000000000, -0.0014787400000000 ]  - [  -0.0001011600000000, -0.0000584000000000, -0.0014787400000000 ]  - [   0.0000000000000000,  0.0001168000000000, -0.0014787400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014128100000000 ]  - [   0.0001450200000000, -0.0000837300000000, -0.0044555100000000 ]  - [  -0.0001450200000000, -0.0000837300000000, -0.0044555100000000 ]  - [   0.0000000000000000,  0.0001674600000000, -0.0044555100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0075362200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051943400000000 ]  - [   0.0000000000000000,  0.0016048100000000, -0.0054574200000000 ]  - [  -0.0013898100000000, -0.0008024000000000, -0.0054574200000000 ]  - [   0.0013898100000000, -0.0008024000000000, -0.0054574200000000 ]  - [   0.0000000000000000,  0.0000958900000000, -0.0027256100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033188500000000 ]  - [   0.0000830500000000, -0.0000479500000000, -0.0027256100000000 ]  - [  -0.0000830500000000, -0.0000479500000000, -0.0027256100000000 ]  - [   0.0000000000000000, -0.0057813100000000, -0.0044145200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022813900000000 ]  - [  -0.0050067600000000,  0.0028906500000000, -0.0044145200000000 ]  - [   0.0050067600000000,  0.0028906500000000, -0.0044145200000000 ]  - [   0.0000000000000000,  0.0156827700000000, -0.0101381700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049008300000000 ]  - [   0.0135816800000000, -0.0078413800000000, -0.0101381700000000 ]  - [  -0.0135816800000000, -0.0078413800000000, -0.0101381700000000 ]  - [   0.0000000000000000,  0.0006091200000000, -0.0044614800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0039013500000000 ]  - [   0.0005275200000000, -0.0003045600000000, -0.0044614800000000 ]  - [  -0.0005275200000000, -0.0003045600000000, -0.0044614800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0139921100000000 ]  - [   0.0000000000000000, -0.0061264300000000, -0.0058323800000000 ]  - [   0.0053056400000000,  0.0030632100000000, -0.0058323800000000 ]  - [  -0.0053056400000000,  0.0030632100000000, -0.0058323800000000 ]  - [  -0.0001441300000000,  0.0000832200000000,  0.0039390900000000 ]  - [   0.0001441300000000,  0.0000832200000000,  0.0039390900000000 ]  - [   0.0000000000000000, -0.0001664300000000,  0.0039390900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055980900000000 ]  - [   0.0000000000000000, -0.0016710000000000,  0.0038895800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028080100000000 ]  - [  -0.0014471300000000,  0.0008355000000000,  0.0038895800000000 ]  - [   0.0014471300000000,  0.0008355000000000,  0.0038895800000000 ]  - [   0.0000000000000000,  0.0012893500000000,  0.0052026800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002052300000000 ]  - [   0.0011166100000000, -0.0006446700000000,  0.0052026800000000 ]  - [  -0.0011166100000000, -0.0006446700000000,  0.0052026800000000 ]  - [  -0.0016950900000000,  0.0009786600000000,  0.0057667500000000 ]  - [   0.0016950900000000,  0.0009786600000000,  0.0057667500000000 ]  - [   0.0000000000000000, -0.0019573200000000,  0.0057667500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038081900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049918400000000 ]  - [   0.0000000000000000,  0.0004404800000000,  0.0050760000000000 ]  - [  -0.0003814600000000, -0.0002202400000000,  0.0050760000000000 ]  - [   0.0003814600000000, -0.0002202400000000,  0.0050760000000000 ]  - [  -0.0001643000000000,  0.0000948600000000, -0.0003072300000000 ]  - [   0.0001643000000000,  0.0000948600000000, -0.0003072300000000 ]  - [   0.0000000000000000, -0.0001897200000000, -0.0003072300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003562900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1158930600000000 ]  - [   0.0000000000000000,  0.0025222200000000, -0.0090806600000000 ]  - [  -0.0021843100000000, -0.0012611100000000, -0.0090806600000000 ]  - [   0.0021843100000000, -0.0012611100000000, -0.0090806600000000 ]  - [   0.0000000000000000,  0.0000371400000000,  0.0012118200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010901900000000 ]  - [   0.0000321700000000, -0.0000185700000000,  0.0012118200000000 ]  - [  -0.0000321700000000, -0.0000185700000000,  0.0012118200000000 ]  - [   0.0000000000000000,  0.0119115900000000, -0.0217373700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048775500000000 ]  - [   0.0103157400000000, -0.0059558000000000, -0.0217373700000000 ]  - [  -0.0103157400000000, -0.0059558000000000, -0.0217373700000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002176300000000,  0.0000004200000000,  0.0019123900000000 ]  - [  -0.0003558600000000, -0.0000004900000000,  0.0019147500000000 ]  - [   0.0000036600000000,  0.0001239000000000,  0.0018298000000000 ]  - [   0.0000024700000000, -0.0001243000000000,  0.0019965200000000 ]  - [   0.0019615500000000,  0.0020091500000000,  0.0069032800000000 ]  - [   0.0019768600000000, -0.0019870800000000, -0.0030519800000000 ]  - [  -0.0000397800000000, -0.0000017900000000,  0.0019216900000000 ]  - [  -0.0014916000000000,  0.0000032000000000,  0.0019099900000000 ]  - [   0.0000036600000000, -0.0001239000000000, -0.0018298000000000 ]  - [   0.0000024700000000,  0.0001243000000000, -0.0019965200000000 ]  - [  -0.0003558600000000,  0.0000004900000000, -0.0019147500000000 ]  - [   0.0002176300000000, -0.0000004200000000, -0.0019123900000000 ]  - [  -0.0014916000000000, -0.0000032000000000, -0.0019099900000000 ]  - [  -0.0000397800000000,  0.0000017900000000, -0.0019216900000000 ]  - [   0.0019615500000000, -0.0020091500000000, -0.0069032800000000 ]  - [   0.0019768600000000,  0.0019870800000000,  0.0030519800000000 ]  - [  -0.1107177000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0318454100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0049564600000000, -0.0155238600000000,  0.0005636500000000 ]  - [   0.0049564600000000,  0.0155238600000000, -0.0005636500000000 ]  - [  -0.0000501100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000941600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000344300000000, -0.0000344200000000,  0.0000852100000000 ]  - [   0.0000344300000000,  0.0000344200000000, -0.0000852100000000 ]  - [  -0.0007231500000000,  0.0000023200000000, -0.0000010800000000 ]  - [   0.0015175400000000, -0.0000033800000000,  0.0000023600000000 ]  - [  -0.0003058300000000, -0.0010557800000000, -0.0014045500000000 ]  - [  -0.0003145000000000,  0.0010543200000000,  0.0014010100000000 ]  - [  -0.0007231500000000, -0.0000023200000000,  0.0000010800000000 ]  - [   0.0015175400000000,  0.0000033800000000, -0.0000023600000000 ]  - [  -0.0003145000000000, -0.0010543200000000, -0.0014010100000000 ]  - [  -0.0003058300000000,  0.0010557800000000,  0.0014045500000000 ]  - [  -0.0011170800000000, -0.0000062900000000, -0.0000047100000000 ]  - [   0.0009712300000000,  0.0000007200000000,  0.0000057200000000 ]  - [   0.0004824300000000, -0.0009259900000000,  0.0024819000000000 ]  - [   0.0004959700000000,  0.0009288400000000, -0.0024838100000000 ]  - [   0.0004824300000000,  0.0009259900000000, -0.0024819000000000 ]  - [   0.0004959700000000, -0.0009288400000000,  0.0024838100000000 ]  - [   0.0009712300000000, -0.0000007200000000, -0.0000057200000000 ]  - [  -0.0011170800000000,  0.0000062900000000,  0.0000047100000000 ]  - [  -0.0000150300000000, -0.0000013400000000,  0.0012393900000000 ]  - [   0.0000679300000000,  0.0000018000000000,  0.0012425000000000 ]  - [  -0.0000211500000000, -0.0000502400000000,  0.0017714500000000 ]  - [  -0.0000157900000000,  0.0000494800000000,  0.0007122100000000 ]  - [   0.0043493400000000,  0.0000015900000000,  0.0012226900000000 ]  - [  -0.0038422200000000,  0.0000102200000000,  0.0012577700000000 ]  - [   0.0004288200000000,  0.0024689800000000,  0.0006118500000000 ]  - [   0.0004483000000000, -0.0024740400000000,  0.0018777700000000 ]  - [  -0.0000004600000000, -0.0000144200000000,  0.0026611800000000 ]  - [  -0.0000000700000000,  0.0000145500000000,  0.0027098600000000 ]  - [  -0.0000542800000000,  0.0000000400000000,  0.0026871400000000 ]  - [   0.0000248500000000,  0.0000002300000000,  0.0026844700000000 ]  - [   0.0096498300000000, -0.0000520600000000,  0.0027107600000000 ]  - [  -0.0001011200000000, -0.0000316600000000,  0.0026981300000000 ]  - [   0.0105975200000000, -0.0005238300000000, -0.0024849300000000 ]  - [   0.0096252400000000,  0.0000131200000000,  0.0073193400000000 ]  - [   0.0105975200000000,  0.0005238300000000,  0.0024849300000000 ]  - [   0.0096252400000000, -0.0000131200000000, -0.0073193400000000 ]  - [  -0.0001011200000000,  0.0000316600000000, -0.0026981300000000 ]  - [   0.0096498300000000,  0.0000520600000000, -0.0027107600000000 ]  - [   0.0000248500000000, -0.0000002300000000, -0.0026844700000000 ]  - [  -0.0000542800000000, -0.0000000400000000, -0.0026871400000000 ]  - [  -0.0000004600000000,  0.0000144200000000, -0.0026611800000000 ]  - [  -0.0000000700000000, -0.0000145500000000, -0.0027098600000000 ]  - [   0.0043493400000000, -0.0000015900000000, -0.0012226900000000 ]  - [  -0.0038422200000000, -0.0000102200000000, -0.0012577700000000 ]  - [   0.0004483000000000,  0.0024740400000000, -0.0018777700000000 ]  - [   0.0004288200000000, -0.0024689800000000, -0.0006118500000000 ]  - [  -0.0000150300000000,  0.0000013400000000, -0.0012393900000000 ]  - [   0.0000679300000000, -0.0000018000000000, -0.0012425000000000 ]  - [  -0.0000157900000000, -0.0000494800000000, -0.0007122100000000 ]  - [  -0.0000211500000000,  0.0000502400000000, -0.0017714500000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000280300000000,  0.0046286800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052205100000000 ]  - [  -0.0000242700000000,  0.0000140100000000,  0.0046286800000000 ]  - [   0.0000242700000000,  0.0000140100000000,  0.0046286800000000 ]  - [   0.0034115600000000,  0.0019696700000000,  0.0063345000000000 ]  - [  -0.0034115600000000,  0.0019696700000000,  0.0063345000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003673900000000 ]  - [   0.0000000000000000, -0.0039393400000000,  0.0063345000000000 ]  - [   0.0000250200000000,  0.0000144500000000,  0.0008136300000000 ]  - [  -0.0000250200000000,  0.0000144500000000,  0.0008136300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014072400000000 ]  - [   0.0000000000000000, -0.0000288900000000,  0.0008136300000000 ]  - [   0.0000000000000000, -0.0038686900000000,  0.0024383600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0041603800000000 ]  - [  -0.0033503900000000,  0.0019343500000000,  0.0024383600000000 ]  - [   0.0033503900000000,  0.0019343500000000,  0.0024383600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0956322100000000 ]  - [   0.0000000000000000, -0.0006513600000000, -0.0079301200000000 ]  - [   0.0005641000000000,  0.0003256800000000, -0.0079301200000000 ]  - [  -0.0005641000000000,  0.0003256800000000, -0.0079301200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023245300000000 ]  - [   0.0000000000000000,  0.0000981800000000,  0.0024821800000000 ]  - [  -0.0000850300000000, -0.0000490900000000,  0.0024821800000000 ]  - [   0.0000850300000000, -0.0000490900000000,  0.0024821800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030264800000000 ]  - [   0.0000000000000000, -0.0020037700000000,  0.0039430600000000 ]  - [   0.0017353100000000,  0.0010018800000000,  0.0039430600000000 ]  - [  -0.0017353100000000,  0.0010018800000000,  0.0039430600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030294500000000 ]  - [   0.0000000000000000, -0.0020160900000000,  0.0039465400000000 ]  - [   0.0017459800000000,  0.0010080400000000,  0.0039465400000000 ]  - [  -0.0017459800000000,  0.0010080400000000,  0.0039465400000000 ]  - [   0.0000000000000000, -0.0012581500000000, -0.0047940600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008662200000000 ]  - [  -0.0010895900000000,  0.0006290700000000, -0.0047940600000000 ]  - [   0.0010895900000000,  0.0006290700000000, -0.0047940600000000 ]  - [   0.0010901100000000,  0.0006293800000000, -0.0047978100000000 ]  - [  -0.0010901100000000,  0.0006293800000000, -0.0047978100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008576700000000 ]  - [   0.0000000000000000, -0.0012587500000000, -0.0047978100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006622800000000 ]  - [   0.0000000000000000, -0.0003337900000000, -0.0008872200000000 ]  - [   0.0002890700000000,  0.0001668900000000, -0.0008872200000000 ]  - [  -0.0002890700000000,  0.0001668900000000, -0.0008872200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0071709800000000 ]  - [   0.0000000000000000,  0.0044532600000000,  0.0022173100000000 ]  - [  -0.0038566400000000, -0.0022266300000000,  0.0022173100000000 ]  - [   0.0038566400000000, -0.0022266300000000,  0.0022173100000000 ]  - [   0.0000089800000000,  0.0000051800000000,  0.0007114800000000 ]  - [  -0.0000089800000000,  0.0000051800000000,  0.0007114800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005689800000000 ]  - [   0.0000000000000000, -0.0000103700000000,  0.0007114800000000 ]  - [   0.0000000000000000, -0.0014598800000000,  0.0193663700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069921600000000 ]  - [  -0.0012642900000000,  0.0007299400000000,  0.0193663700000000 ]  - [   0.0012642900000000,  0.0007299400000000,  0.0193663700000000 ]  - [   0.0016347300000000,  0.0009438100000000,  0.0142250000000000 ]  - [  -0.0016347300000000,  0.0009438100000000,  0.0142250000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016687000000000 ]  - [   0.0000000000000000, -0.0018876200000000,  0.0142250000000000 ]  - [   0.0000000000000000, -0.0000106000000000, -0.0046629600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048076100000000 ]  - [  -0.0000091800000000,  0.0000053000000000, -0.0046629600000000 ]  - [   0.0000091800000000,  0.0000053000000000, -0.0046629600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0097791400000000 ]  - [   0.0000000000000000,  0.0044719500000000, -0.0002588200000000 ]  - [  -0.0038728200000000, -0.0022359800000000, -0.0002588200000000 ]  - [   0.0038728200000000, -0.0022359800000000, -0.0002588200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031435500000000 ]  - [   0.0000000000000000, -0.0003356700000000, -0.0033730000000000 ]  - [   0.0002907000000000,  0.0001678400000000, -0.0033730000000000 ]  - [  -0.0002907000000000,  0.0001678400000000, -0.0033730000000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0038263200000000, -0.0000145600000000,  0.0019459200000000 ]  - [   0.0000728700000000,  0.0000036200000000,  0.0018990300000000 ]  - [   0.0044925100000000, -0.0048251300000000, -0.0117787200000000 ]  - [   0.0044793000000000,  0.0047732000000000,  0.0155235500000000 ]  - [   0.0000399600000000,  0.0001134200000000,  0.0013838000000000 ]  - [   0.0000398800000000, -0.0001135300000000,  0.0024363800000000 ]  - [   0.0000950700000000,  0.0000002100000000,  0.0019098500000000 ]  - [  -0.0001567100000000, -0.0000001500000000,  0.0019083600000000 ]  - [   0.0000399600000000,  0.0001134200000000, -0.0013838000000000 ]  - [   0.0000398800000000, -0.0001135300000000, -0.0024363800000000 ]  - [   0.0000950700000000,  0.0000002100000000, -0.0019098500000000 ]  - [  -0.0001567100000000, -0.0000001500000000, -0.0019083600000000 ]  - [  -0.0038263200000000, -0.0000145600000000, -0.0019459200000000 ]  - [   0.0000728700000000,  0.0000036200000000, -0.0018990300000000 ]  - [   0.0044925100000000, -0.0048251300000000,  0.0117787200000000 ]  - [   0.0044793000000000,  0.0047732000000000, -0.0155235500000000 ]  - [  -0.0007231200000000,  0.0000019900000000,  0.0000004100000000 ]  - [   0.0015170000000000, -0.0000003700000000,  0.0000007100000000 ]  - [  -0.0003066000000000, -0.0010575900000000,  0.0017407700000000 ]  - [  -0.0003138300000000,  0.0010523800000000, -0.0017401900000000 ]  - [  -0.0007231200000000,  0.0000019900000000, -0.0000004100000000 ]  - [   0.0015170000000000, -0.0000003700000000, -0.0000007100000000 ]  - [  -0.0003066000000000, -0.0010575900000000, -0.0017407700000000 ]  - [  -0.0003138300000000,  0.0010523800000000,  0.0017401900000000 ]  - [  -0.1780669500000000,  0.0025938200000000,  0.0000000000000000 ]  - [   0.0201159500000000, -0.0000198500000000,  0.0000000000000000 ]  - [   0.0025948600000000, -0.0101087100000000,  0.0000000000000000 ]  - [   0.0025853900000000,  0.0101272100000000,  0.0000000000000000 ]  - [   0.0003788300000000, -0.0000009000000000,  0.0000000000000000 ]  - [  -0.0003448300000000, -0.0000003100000000,  0.0000000000000000 ]  - [  -0.0000112400000000,  0.0001932000000000,  0.0000000000000000 ]  - [  -0.0000104500000000, -0.0001927500000000,  0.0000000000000000 ]  - [   0.0162632100000000, -0.0002328300000000,  0.0000000000000000 ]  - [  -0.0026096200000000, -0.0000409300000000,  0.0000000000000000 ]  - [   0.0529952500000000, -0.0213612100000000,  0.0000000000000000 ]  - [   0.0497166500000000,  0.0191753300000000,  0.0000000000000000 ]  - [   0.0000166700000000, -0.0000059100000000,  0.0000000000000000 ]  - [   0.0000164000000000,  0.0000030200000000,  0.0000000000000000 ]  - [  -0.0000504300000000,  0.0000016400000000,  0.0000000000000000 ]  - [   0.0000243100000000,  0.0000013800000000,  0.0000000000000000 ]  - [  -0.0004445500000000,  0.0000005300000000,  0.0012407300000000 ]  - [   0.0004471800000000,  0.0000004100000000,  0.0012406600000000 ]  - [   0.0000036500000000, -0.0002568400000000,  0.0015057300000000 ]  - [   0.0000034300000000,  0.0002554300000000,  0.0009773200000000 ]  - [   0.0179858700000000, -0.0000044900000000,  0.0011557100000000 ]  - [  -0.0067163100000000,  0.0000112400000000,  0.0012014600000000 ]  - [   0.0002396400000000,  0.0040225100000000,  0.0033613100000000 ]  - [   0.0002678900000000, -0.0040258300000000, -0.0009050400000000 ]  - [  -0.0000904300000000, -0.0005861200000000,  0.0029253500000000 ]  - [  -0.0000900900000000,  0.0005865200000000,  0.0024440300000000 ]  - [  -0.0008303800000000, -0.0000000500000000,  0.0026851000000000 ]  - [   0.0009253000000000,  0.0000004700000000,  0.0026860900000000 ]  - [  -0.0016009300000000, -0.0000047400000000,  0.0026939200000000 ]  - [   0.0010062900000000,  0.0000007200000000,  0.0026804800000000 ]  - [   0.0008344800000000, -0.0014079000000000, -0.0004510100000000 ]  - [   0.0008419500000000,  0.0014085600000000,  0.0058377200000000 ]  - [  -0.0000904300000000, -0.0005861200000000, -0.0029253500000000 ]  - [  -0.0000900900000000,  0.0005865200000000, -0.0024440300000000 ]  - [  -0.0008303800000000, -0.0000000500000000, -0.0026851000000000 ]  - [   0.0009253000000000,  0.0000004700000000, -0.0026860900000000 ]  - [  -0.0016009300000000, -0.0000047400000000, -0.0026939200000000 ]  - [   0.0010062900000000,  0.0000007200000000, -0.0026804800000000 ]  - [   0.0008344800000000, -0.0014079000000000,  0.0004510100000000 ]  - [   0.0008419500000000,  0.0014085600000000, -0.0058377200000000 ]  - [  -0.0004445500000000,  0.0000005300000000, -0.0012407300000000 ]  - [   0.0004471800000000,  0.0000004100000000, -0.0012406600000000 ]  - [   0.0000036500000000, -0.0002568400000000, -0.0015057300000000 ]  - [   0.0000034300000000,  0.0002554300000000, -0.0009773200000000 ]  - [   0.0179858700000000, -0.0000044900000000, -0.0011557100000000 ]  - [  -0.0067163100000000,  0.0000112400000000, -0.0012014600000000 ]  - [   0.0002396400000000,  0.0040225100000000, -0.0033613100000000 ]  - [   0.0002678900000000, -0.0040258300000000,  0.0009050400000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0097724200000000,  0.0120463100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030112800000000 ]  - [  -0.0084631600000000,  0.0048862100000000,  0.0120463100000000 ]  - [   0.0084631600000000,  0.0048862100000000,  0.0120463100000000 ]  - [  -0.0001537700000000, -0.0000887800000000,  0.0063659400000000 ]  - [   0.0001537700000000, -0.0000887800000000,  0.0063659400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058078200000000 ]  - [   0.0000000000000000,  0.0001775600000000,  0.0063659400000000 ]  - [   0.0001544500000000,  0.0000891700000000,  0.0025460800000000 ]  - [  -0.0001544500000000,  0.0000891700000000,  0.0025460800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019888900000000 ]  - [   0.0000000000000000, -0.0001783500000000,  0.0025460800000000 ]  - [   0.0000000000000000,  0.0098830700000000,  0.0083186500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0068176000000000 ]  - [   0.0085589900000000, -0.0049415300000000,  0.0083186500000000 ]  - [  -0.0085589900000000, -0.0049415300000000,  0.0083186500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030313700000000 ]  - [   0.0000000000000000,  0.0016191800000000,  0.0039450900000000 ]  - [  -0.0014022500000000, -0.0008095900000000,  0.0039450900000000 ]  - [   0.0014022500000000, -0.0008095900000000,  0.0039450900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030252300000000 ]  - [   0.0000000000000000, -0.0016200500000000,  0.0039444000000000 ]  - [   0.0014030000000000,  0.0008100200000000,  0.0039444000000000 ]  - [  -0.0014030000000000,  0.0008100200000000,  0.0039444000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1882442600000000 ]  - [   0.0000000000000000, -0.0000084700000000, -0.0127570900000000 ]  - [   0.0000073300000000,  0.0000042300000000, -0.0127570900000000 ]  - [  -0.0000073300000000,  0.0000042300000000, -0.0127570900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058429300000000 ]  - [   0.0000000000000000, -0.0000004600000000,  0.0054597900000000 ]  - [   0.0000004000000000,  0.0000002300000000,  0.0054597900000000 ]  - [  -0.0000004000000000,  0.0000002300000000,  0.0054597900000000 ]  - [   0.0000000000000000, -0.0001544200000000,  0.0221150100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0092360200000000 ]  - [  -0.0001337300000000,  0.0000772100000000,  0.0221150100000000 ]  - [   0.0001337300000000,  0.0000772100000000,  0.0221150100000000 ]  - [   0.0000035200000000,  0.0000020300000000, -0.0057072800000000 ]  - [  -0.0000035200000000,  0.0000020300000000, -0.0057072800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051986200000000 ]  - [   0.0000000000000000, -0.0000040700000000, -0.0057072800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017522700000000 ]  - [   0.0000000000000000, -0.0002542400000000, -0.0019127000000000 ]  - [   0.0002201800000000,  0.0001271200000000, -0.0019127000000000 ]  - [  -0.0002201800000000,  0.0001271200000000, -0.0019127000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0361389800000000 ]  - [   0.0000000000000000, -0.0052308100000000,  0.0089121000000000 ]  - [   0.0045300200000000,  0.0026154100000000,  0.0089121000000000 ]  - [  -0.0045300200000000,  0.0026154100000000,  0.0089121000000000 ]  - [  -0.0004460100000000, -0.0002575000000000, -0.0002196000000000 ]  - [   0.0004460100000000, -0.0002575000000000, -0.0002196000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008695600000000 ]  - [   0.0000000000000000,  0.0005150100000000, -0.0002196000000000 ]  - [   0.0000000000000000,  0.0020204700000000, -0.0019805000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030783500000000 ]  - [   0.0017497800000000, -0.0010102300000000, -0.0019805000000000 ]  - [  -0.0017497800000000, -0.0010102300000000, -0.0019805000000000 ]  - [   0.0004430900000000,  0.0002558200000000, -0.0055817500000000 ]  - [  -0.0004430900000000,  0.0002558200000000, -0.0055817500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062337900000000 ]  - [   0.0000000000000000, -0.0005116300000000, -0.0055817500000000 ]  - [   0.0000000000000000, -0.0020256000000000, -0.0073361200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022848800000000 ]  - [  -0.0017542200000000,  0.0010128000000000, -0.0073361200000000 ]  - [   0.0017542200000000,  0.0010128000000000, -0.0073361200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042463300000000 ]  - [   0.0000000000000000,  0.0002555800000000, -0.0044001800000000 ]  - [  -0.0002213400000000, -0.0001277900000000, -0.0044001800000000 ]  - [   0.0002213400000000, -0.0001277900000000, -0.0044001800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0299682000000000 ]  - [   0.0000000000000000,  0.0052300600000000,  0.0064221200000000 ]  - [  -0.0045293700000000, -0.0026150300000000,  0.0064221200000000 ]  - [   0.0045293700000000, -0.0026150300000000,  0.0064221200000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0133978400000000,  0.0000004700000000,  0.0019231000000000 ]  - [  -0.0045664200000000, -0.0000035500000000,  0.0019312900000000 ]  - [   0.0002345900000000,  0.0027592200000000, -0.0033985100000000 ]  - [   0.0002121200000000, -0.0027714900000000,  0.0072434300000000 ]  - [  -0.0000064000000000, -0.0000795300000000,  0.0017662400000000 ]  - [  -0.0000061300000000,  0.0000799500000000,  0.0020571300000000 ]  - [  -0.0001445800000000,  0.0000002100000000,  0.0019109600000000 ]  - [   0.0002402000000000,  0.0000002200000000,  0.0019138000000000 ]  - [  -0.0000064000000000, -0.0000795300000000, -0.0017662400000000 ]  - [  -0.0000061300000000,  0.0000799500000000, -0.0020571300000000 ]  - [  -0.0001445800000000,  0.0000002100000000, -0.0019109600000000 ]  - [   0.0002402000000000,  0.0000002200000000, -0.0019138000000000 ]  - [   0.0133978400000000,  0.0000004700000000, -0.0019231000000000 ]  - [  -0.0045664200000000, -0.0000035500000000, -0.0019312900000000 ]  - [   0.0002345900000000,  0.0027592200000000,  0.0033985100000000 ]  - [   0.0002121200000000, -0.0027714900000000, -0.0072434300000000 ]  - [  -0.0011203100000000, -0.0000043700000000,  0.0000014800000000 ]  - [   0.0009729700000000,  0.0000016900000000, -0.0000012300000000 ]  - [   0.0004840700000000, -0.0009282400000000, -0.0010860000000000 ]  - [   0.0004937900000000,  0.0009299000000000,  0.0010883100000000 ]  - [  -0.0011203100000000, -0.0000043700000000, -0.0000014800000000 ]  - [   0.0009729700000000,  0.0000016900000000,  0.0000012300000000 ]  - [   0.0004840700000000, -0.0009282400000000,  0.0010860000000000 ]  - [   0.0004937900000000,  0.0009299000000000, -0.0010883100000000 ]  - [   0.0162591400000000,  0.0001893100000000,  0.0000000000000000 ]  - [  -0.0026031200000000,  0.0000258400000000,  0.0000000000000000 ]  - [   0.0497189700000000, -0.0192157600000000,  0.0000000000000000 ]  - [   0.0529921500000000,  0.0213249200000000,  0.0000000000000000 ]  - [   0.0000205200000000,  0.0000000300000000,  0.0000000000000000 ]  - [  -0.0000455700000000, -0.0000008500000000,  0.0000000000000000 ]  - [   0.0000172600000000,  0.0000023600000000,  0.0000000000000000 ]  - [   0.0000155800000000, -0.0000027100000000,  0.0000000000000000 ]  - [  -0.2000001000000000, -0.0025817900000000,  0.0000000000000000 ]  - [   0.0354233400000000,  0.0000880300000000,  0.0000000000000000 ]  - [   0.0015284900000000, -0.0195556300000000,  0.0000000000000000 ]  - [   0.0016810000000000,  0.0194933100000000,  0.0000000000000000 ]  - [  -0.0000002700000000, -0.0001015000000000,  0.0000000000000000 ]  - [   0.0000002100000000,  0.0001009300000000,  0.0000000000000000 ]  - [  -0.0001753800000000,  0.0000003600000000,  0.0000000000000000 ]  - [   0.0002175700000000,  0.0000006100000000,  0.0000000000000000 ]  - [  -0.0001118200000000, -0.0000010100000000,  0.0012409100000000 ]  - [   0.0001226300000000,  0.0000006400000000,  0.0012408100000000 ]  - [   0.0000049900000000, -0.0000683300000000,  0.0009841100000000 ]  - [   0.0000078700000000,  0.0000682600000000,  0.0014982600000000 ]  - [  -0.0017822600000000,  0.0000422800000000,  0.0011722100000000 ]  - [  -0.0017637700000000, -0.0000113600000000,  0.0012593500000000 ]  - [   0.0070755100000000, -0.0050667500000000, -0.0246683500000000 ]  - [   0.0070875300000000,  0.0051691000000000,  0.0273065800000000 ]  - [   0.0000128100000000,  0.0004070600000000,  0.0029965000000000 ]  - [   0.0000125300000000, -0.0004062600000000,  0.0023741500000000 ]  - [   0.0007169900000000, -0.0000000500000000,  0.0026864800000000 ]  - [  -0.0009000500000000, -0.0000000800000000,  0.0026836800000000 ]  - [   0.0032326800000000,  0.0000019500000000,  0.0026903100000000 ]  - [  -0.0015164400000000, -0.0000005900000000,  0.0026945800000000 ]  - [   0.0000437600000000,  0.0008982800000000,  0.0010894700000000 ]  - [   0.0000404200000000, -0.0009013600000000,  0.0042869300000000 ]  - [   0.0000128100000000,  0.0004070600000000, -0.0029965000000000 ]  - [   0.0000125300000000, -0.0004062600000000, -0.0023741500000000 ]  - [   0.0007169900000000, -0.0000000500000000, -0.0026864800000000 ]  - [  -0.0009000500000000, -0.0000000800000000, -0.0026836800000000 ]  - [   0.0032326800000000,  0.0000019500000000, -0.0026903100000000 ]  - [  -0.0015164400000000, -0.0000005900000000, -0.0026945800000000 ]  - [   0.0000437600000000,  0.0008982800000000, -0.0010894700000000 ]  - [   0.0000404200000000, -0.0009013600000000, -0.0042869300000000 ]  - [  -0.0001118200000000, -0.0000010100000000, -0.0012409100000000 ]  - [   0.0001226300000000,  0.0000006400000000, -0.0012408100000000 ]  - [   0.0000049900000000, -0.0000683300000000, -0.0009841100000000 ]  - [   0.0000078700000000,  0.0000682600000000, -0.0014982600000000 ]  - [  -0.0017822600000000,  0.0000422800000000, -0.0011722100000000 ]  - [  -0.0017637700000000, -0.0000113600000000, -0.0012593500000000 ]  - [   0.0070755100000000, -0.0050667500000000,  0.0246683500000000 ]  - [   0.0070875300000000,  0.0051691000000000, -0.0273065800000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0119685300000000 ]  - [   0.0000000000000000,  0.0014272100000000,  0.0077306700000000 ]  - [  -0.0012360000000000, -0.0007136100000000,  0.0077306700000000 ]  - [   0.0012360000000000, -0.0007136100000000,  0.0077306700000000 ]  - [  -0.0000553900000000,  0.0000319800000000, -0.0020328700000000 ]  - [   0.0000553900000000,  0.0000319800000000, -0.0020328700000000 ]  - [   0.0000000000000000, -0.0000639600000000, -0.0020328700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036847000000000 ]  - [   0.0000559500000000, -0.0000323000000000, -0.0058372700000000 ]  - [  -0.0000559500000000, -0.0000323000000000, -0.0058372700000000 ]  - [   0.0000000000000000,  0.0000646100000000, -0.0058372700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074935500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0147718600000000 ]  - [   0.0000000000000000, -0.0014386400000000,  0.0039725300000000 ]  - [   0.0012459000000000,  0.0007193200000000,  0.0039725300000000 ]  - [  -0.0012459000000000,  0.0007193200000000,  0.0039725300000000 ]  - [   0.0000000000000000,  0.0028655000000000, -0.0047961000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008619100000000 ]  - [   0.0024816000000000, -0.0014327500000000, -0.0047961000000000 ]  - [  -0.0024816000000000, -0.0014327500000000, -0.0047961000000000 ]  - [   0.0000000000000000, -0.0028682900000000, -0.0047970000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008617500000000 ]  - [  -0.0024840100000000,  0.0014341400000000, -0.0047970000000000 ]  - [   0.0024840100000000,  0.0014341400000000, -0.0047970000000000 ]  - [   0.0000000000000000,  0.0002537400000000,  0.0221151500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0092366900000000 ]  - [   0.0002197500000000, -0.0001268700000000,  0.0221151500000000 ]  - [  -0.0002197500000000, -0.0001268700000000,  0.0221151500000000 ]  - [   0.0000000000000000,  0.0000003300000000, -0.0057076100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051964800000000 ]  - [   0.0000002900000000, -0.0000001700000000, -0.0057076100000000 ]  - [  -0.0000002900000000, -0.0000001700000000, -0.0057076100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0740973400000000 ]  - [   0.0000000000000000,  0.0000207800000000, -0.0104989600000000 ]  - [  -0.0000179900000000, -0.0000103900000000, -0.0104989600000000 ]  - [   0.0000179900000000, -0.0000103900000000, -0.0104989600000000 ]  - [   0.0000028200000000, -0.0000016300000000,  0.0052147300000000 ]  - [  -0.0000028200000000, -0.0000016300000000,  0.0052147300000000 ]  - [   0.0000000000000000,  0.0000032500000000,  0.0052147300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0067989600000000 ]  - [   0.0000000000000000, -0.0008551800000000,  0.0045619500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038415600000000 ]  - [  -0.0007406000000000,  0.0004275900000000,  0.0045619500000000 ]  - [   0.0007406000000000,  0.0004275900000000,  0.0045619500000000 ]  - [   0.0000000000000000, -0.0274157800000000,  0.0048668500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025224700000000 ]  - [  -0.0237427600000000,  0.0137078900000000,  0.0048668500000000 ]  - [   0.0237427600000000,  0.0137078900000000,  0.0048668500000000 ]  - [  -0.0009036000000000,  0.0005216900000000,  0.0060265900000000 ]  - [   0.0009036000000000,  0.0005216900000000,  0.0060265900000000 ]  - [   0.0000000000000000, -0.0010433900000000,  0.0060265900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049723400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0126705600000000 ]  - [   0.0000000000000000, -0.0013667500000000,  0.0032246800000000 ]  - [   0.0011836400000000,  0.0006833800000000,  0.0032246800000000 ]  - [  -0.0011836400000000,  0.0006833800000000,  0.0032246800000000 ]  - [   0.0009040600000000, -0.0005219600000000,  0.0006708800000000 ]  - [  -0.0009040600000000, -0.0005219600000000,  0.0006708800000000 ]  - [   0.0000000000000000,  0.0010439200000000,  0.0006708800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003795800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0071824500000000 ]  - [   0.0000000000000000,  0.0013658200000000, -0.0021457200000000 ]  - [  -0.0011828300000000, -0.0006829100000000, -0.0021457200000000 ]  - [   0.0011828300000000, -0.0006829100000000, -0.0021457200000000 ]  - [   0.0000000000000000,  0.0008520300000000,  0.0020701100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013548600000000 ]  - [   0.0007378800000000, -0.0004260200000000,  0.0020701100000000 ]  - [  -0.0007378800000000, -0.0004260200000000,  0.0020701100000000 ]  - [   0.0000000000000000,  0.0271073100000000,  0.0022859200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0049928600000000 ]  - [   0.0234756200000000, -0.0135536600000000,  0.0022859200000000 ]  - [  -0.0234756200000000, -0.0135536600000000,  0.0022859200000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002245200000000,  0.0000014200000000,  0.0019122800000000 ]  - [  -0.0001665600000000, -0.0000006000000000,  0.0019050900000000 ]  - [   0.0000156900000000,  0.0001209300000000,  0.0033528300000000 ]  - [   0.0000117500000000, -0.0001225300000000,  0.0004677800000000 ]  - [   0.0004713400000000,  0.0008448900000000,  0.0007918500000000 ]  - [   0.0004576100000000, -0.0008423900000000,  0.0030249300000000 ]  - [   0.0008084300000000,  0.0000018400000000,  0.0019136000000000 ]  - [  -0.0009965100000000, -0.0000069600000000,  0.0019030500000000 ]  - [   0.0755273200000000,  0.0372000300000000,  0.0086142400000000 ]  - [   0.0722376100000000, -0.0349050300000000, -0.0117522100000000 ]  - [  -0.0018174300000000,  0.0000053200000000, -0.0019122800000000 ]  - [   0.0114512500000000,  0.0002971300000000, -0.0019473300000000 ]  - [   0.0000102700000000, -0.0000004500000000, -0.0019081600000000 ]  - [  -0.0000236400000000, -0.0000009600000000, -0.0019082000000000 ]  - [   0.0000003400000000,  0.0000063800000000, -0.0018774200000000 ]  - [  -0.0000005700000000, -0.0000054200000000, -0.0019404400000000 ]  - [  -0.0000164000000000,  0.0000009700000000,  0.0000009500000000 ]  - [   0.0000688800000000, -0.0000008200000000, -0.0000002100000000 ]  - [  -0.0000170600000000, -0.0000506800000000,  0.0002898200000000 ]  - [  -0.0000203700000000,  0.0000504700000000, -0.0002897400000000 ]  - [   0.0043499900000000,  0.0000038700000000,  0.0000218200000000 ]  - [  -0.0038415300000000, -0.0000042900000000, -0.0000095000000000 ]  - [   0.0004496500000000,  0.0024649300000000,  0.0038572100000000 ]  - [   0.0004276400000000, -0.0024772700000000, -0.0038740900000000 ]  - [  -0.0004464500000000, -0.0000005700000000,  0.0000008100000000 ]  - [   0.0004467600000000,  0.0000012400000000, -0.0000001600000000 ]  - [   0.0000005300000000, -0.0002564100000000,  0.0002225300000000 ]  - [   0.0000034600000000,  0.0002568600000000, -0.0002214800000000 ]  - [   0.0179880000000000,  0.0000095800000000,  0.0000897800000000 ]  - [  -0.0067151900000000,  0.0000001800000000,  0.0000244700000000 ]  - [   0.0002639300000000,  0.0040155300000000, -0.0045147500000000 ]  - [   0.0002453400000000, -0.0040327300000000,  0.0045465600000000 ]  - [  -0.0001088800000000, -0.0000061100000000, -0.0000017500000000 ]  - [   0.0001198300000000,  0.0000023300000000,  0.0000016500000000 ]  - [  -0.0000008900000000, -0.0000648600000000, -0.0007376200000000 ]  - [   0.0000137000000000,  0.0000683100000000,  0.0007373500000000 ]  - [   0.0070746000000000,  0.0051665800000000, -0.0237078400000000 ]  - [   0.0070890700000000, -0.0050647700000000,  0.0235106800000000 ]  - [  -0.0017676900000000, -0.0000133500000000, -0.0000203700000000 ]  - [  -0.0017779900000000,  0.0000554900000000,  0.0000490200000000 ]  - [  -0.2209760700000000, -0.0027824000000000,  0.0006181100000000 ]  - [   0.0285809000000000,  0.0000717200000000,  0.0012568800000000 ]  - [   0.0008880400000000, -0.0159916700000000,  0.0045645100000000 ]  - [   0.0009977200000000,  0.0159210000000000, -0.0020734500000000 ]  - [  -0.0000957100000000,  0.0000011100000000,  0.0012389200000000 ]  - [   0.0000992900000000,  0.0000015700000000,  0.0012436900000000 ]  - [   0.0000016300000000, -0.0000573800000000,  0.0010910000000000 ]  - [   0.0000024500000000,  0.0000549100000000,  0.0013940400000000 ]  - [   0.0038848100000000,  0.0020512100000000,  0.0192614500000000 ]  - [   0.0038905900000000, -0.0020109700000000, -0.0138914000000000 ]  - [  -0.0015586900000000, -0.0000029800000000,  0.0027119100000000 ]  - [   0.0003702300000000,  0.0000267300000000,  0.0026481000000000 ]  - [   0.0001977600000000,  0.0000004600000000,  0.0026822300000000 ]  - [  -0.0001993800000000, -0.0000004500000000,  0.0026825100000000 ]  - [  -0.0000059800000000,  0.0001178300000000,  0.0026956600000000 ]  - [  -0.0000075600000000, -0.0001183600000000,  0.0026715100000000 ]  - [   0.0000695000000000,  0.0002411100000000, -0.0024094000000000 ]  - [   0.0000662600000000, -0.0002403400000000, -0.0029553800000000 ]  - [   0.0003221600000000,  0.0000005700000000, -0.0026857400000000 ]  - [  -0.0003490000000000, -0.0000015200000000, -0.0026816700000000 ]  - [  -0.0016982000000000, -0.0000072200000000, -0.0026806500000000 ]  - [   0.0016829800000000, -0.0000003600000000, -0.0026856200000000 ]  - [  -0.0000413100000000, -0.0009566200000000, -0.0016992000000000 ]  - [  -0.0000288500000000,  0.0009637800000000, -0.0036669000000000 ]  - [   0.0026599700000000,  0.0000010700000000, -0.0012280000000000 ]  - [  -0.0009874000000000,  0.0000025100000000, -0.0012540200000000 ]  - [   0.0000721900000000,  0.0006111100000000,  0.0004066300000000 ]  - [   0.0000763500000000, -0.0006147800000000, -0.0029013200000000 ]  - [   0.0012826500000000,  0.0000023300000000, -0.0012433100000000 ]  - [  -0.0012654700000000, -0.0000032700000000, -0.0012424800000000 ]  - [   0.0000187000000000,  0.0007392600000000, -0.0018359300000000 ]  - [   0.0000091300000000, -0.0007380500000000, -0.0006474400000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0008304000000000, -0.0007408700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003436100000000 ]  - [  -0.0007191400000000,  0.0004152000000000, -0.0007408700000000 ]  - [   0.0007191400000000,  0.0004152000000000, -0.0007408700000000 ]  - [   0.0025146500000000,  0.0014518300000000, -0.0020498500000000 ]  - [  -0.0025146500000000,  0.0014518300000000, -0.0020498500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033612500000000 ]  - [   0.0000000000000000, -0.0029036600000000, -0.0020498500000000 ]  - [   0.0121547000000000,  0.0070175200000000,  0.0183756200000000 ]  - [  -0.0121547000000000,  0.0070175200000000,  0.0183756200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017348100000000 ]  - [   0.0000000000000000, -0.0140350400000000,  0.0183756200000000 ]  - [   0.0000000000000000, -0.0000549800000000, -0.0043641000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042412000000000 ]  - [  -0.0000476100000000,  0.0000274900000000, -0.0043641000000000 ]  - [   0.0000476100000000,  0.0000274900000000, -0.0043641000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019072300000000 ]  - [   0.0000000000000000, -0.0006129800000000, -0.0021330400000000 ]  - [   0.0005308600000000,  0.0003064900000000, -0.0021330400000000 ]  - [  -0.0005308600000000,  0.0003064900000000, -0.0021330400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0085449800000000 ]  - [   0.0000000000000000, -0.0007344400000000,  0.0009997000000000 ]  - [   0.0006360400000000,  0.0003672200000000,  0.0009997000000000 ]  - [  -0.0006360400000000,  0.0003672200000000,  0.0009997000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030048700000000 ]  - [   0.0000000000000000, -0.0003095200000000, -0.0031637300000000 ]  - [   0.0002680500000000,  0.0001547600000000, -0.0031637300000000 ]  - [  -0.0002680500000000,  0.0001547600000000, -0.0031637300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0312137900000000 ]  - [   0.0000000000000000,  0.0024572900000000,  0.0076510900000000 ]  - [  -0.0021280800000000, -0.0012286500000000,  0.0076510900000000 ]  - [   0.0021280800000000, -0.0012286500000000,  0.0076510900000000 ]  - [   0.0000000000000000, -0.0003105300000000,  0.0033240300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025998900000000 ]  - [  -0.0002689300000000,  0.0001552700000000,  0.0033240300000000 ]  - [   0.0002689300000000,  0.0001552700000000,  0.0033240300000000 ]  - [  -0.0258723400000000, -0.0149374000000000,  0.0035293500000000 ]  - [   0.0258723400000000, -0.0149374000000000,  0.0035293500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037392200000000 ]  - [   0.0000000000000000,  0.0298748000000000,  0.0035293500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1342284900000000 ]  - [   0.0000000000000000, -0.0038200000000000, -0.0017421800000000 ]  - [   0.0033082200000000,  0.0019100000000000, -0.0017421800000000 ]  - [  -0.0033082200000000,  0.0019100000000000, -0.0017421800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028779600000000 ]  - [   0.0000000000000000, -0.0001775600000000,  0.0030305300000000 ]  - [   0.0001537700000000,  0.0000887800000000,  0.0030305300000000 ]  - [  -0.0001537700000000,  0.0000887800000000,  0.0030305300000000 ]  - [   0.0142716900000000,  0.0082397700000000,  0.0098092000000000 ]  - [  -0.0142716900000000,  0.0082397700000000,  0.0098092000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021723000000000 ]  - [   0.0000000000000000, -0.0164795300000000,  0.0098092000000000 ]  - [   0.0000000000000000,  0.0001591600000000,  0.0043184900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046030000000000 ]  - [   0.0001378300000000, -0.0000795800000000,  0.0043184900000000 ]  - [  -0.0001378300000000, -0.0000795800000000,  0.0043184900000000 ]  - [   0.0004853800000000,  0.0002802400000000, -0.0005107900000000 ]  - [  -0.0004853800000000,  0.0002802400000000, -0.0005107900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023213200000000 ]  - [   0.0000000000000000, -0.0005604700000000, -0.0005107900000000 ]  - [   0.0000000000000000,  0.0044638100000000, -0.0005417400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014431700000000 ]  - [   0.0038657700000000, -0.0022319000000000, -0.0005417400000000 ]  - [  -0.0038657700000000, -0.0022319000000000, -0.0005417400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0099454000000000 ]  - [   0.0000000000000000,  0.0019086200000000, -0.0029240100000000 ]  - [  -0.0016529100000000, -0.0009543100000000, -0.0029240100000000 ]  - [   0.0016529100000000, -0.0009543100000000, -0.0029240100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022081600000000 ]  - [   0.0000000000000000,  0.0006915100000000, -0.0000776100000000 ]  - [  -0.0005988700000000, -0.0003457600000000, -0.0000776100000000 ]  - [   0.0005988700000000, -0.0003457600000000, -0.0000776100000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0008170700000000,  0.0045342300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034697900000000 ]  - [   0.0007076000000000, -0.0004085300000000,  0.0045342300000000 ]  - [  -0.0007076000000000, -0.0004085300000000,  0.0045342300000000 ]  - [  -0.0025097500000000, -0.0014490100000000,  0.0058582300000000 ]  - [   0.0025097500000000, -0.0014490100000000,  0.0058582300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004377400000000 ]  - [   0.0000000000000000,  0.0028980200000000,  0.0058582300000000 ]  - [  -0.0124621900000000, -0.0071950500000000, -0.0224162400000000 ]  - [   0.0124621900000000, -0.0071950500000000, -0.0224162400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055424200000000 ]  - [   0.0000000000000000,  0.0143900900000000, -0.0224162400000000 ]  - [   0.0000000000000000,  0.0000552500000000,  0.0005487200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004250900000000 ]  - [   0.0000478500000000, -0.0000276300000000,  0.0005487200000000 ]  - [  -0.0000478500000000, -0.0000276300000000,  0.0005487200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018997100000000 ]  - [   0.0000000000000000,  0.0006116400000000,  0.0021250300000000 ]  - [  -0.0005296900000000, -0.0003058200000000,  0.0021250300000000 ]  - [   0.0005296900000000, -0.0003058200000000,  0.0021250300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084048300000000 ]  - [   0.0000000000000000,  0.0007293400000000, -0.0009565900000000 ]  - [  -0.0006316300000000, -0.0003646700000000, -0.0009565900000000 ]  - [   0.0006316300000000, -0.0003646700000000, -0.0009565900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029941500000000 ]  - [   0.0000000000000000,  0.0003029300000000,  0.0031504100000000 ]  - [  -0.0002623400000000, -0.0001514600000000,  0.0031504100000000 ]  - [   0.0002623400000000, -0.0001514600000000,  0.0031504100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0348940000000000 ]  - [   0.0000000000000000, -0.0024664400000000, -0.0076839400000000 ]  - [   0.0021360000000000,  0.0012332200000000, -0.0076839400000000 ]  - [  -0.0021360000000000,  0.0012332200000000, -0.0076839400000000 ]  - [   0.0000000000000000,  0.0002895100000000, -0.0033083100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025972700000000 ]  - [   0.0002507200000000, -0.0001447500000000, -0.0033083100000000 ]  - [  -0.0002507200000000, -0.0001447500000000, -0.0033083100000000 ]  - [   0.0261101600000000,  0.0150747100000000, -0.0036232500000000 ]  - [  -0.0261101600000000,  0.0150747100000000, -0.0036232500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037759400000000 ]  - [   0.0000000000000000, -0.0301494200000000, -0.0036232500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1412860900000000 ]  - [   0.0000000000000000,  0.0038485200000000,  0.0042610700000000 ]  - [  -0.0033329100000000, -0.0019242600000000,  0.0042610700000000 ]  - [   0.0033329100000000, -0.0019242600000000,  0.0042610700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003897600000000 ]  - [   0.0000000000000000,  0.0001740400000000, -0.0005338400000000 ]  - [  -0.0001507300000000, -0.0000870200000000, -0.0005338400000000 ]  - [   0.0001507300000000, -0.0000870200000000, -0.0005338400000000 ]  - [  -0.0140232200000000, -0.0080963100000000, -0.0044177900000000 ]  - [   0.0140232200000000, -0.0080963100000000, -0.0044177900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031309600000000 ]  - [   0.0000000000000000,  0.0161926100000000, -0.0044177900000000 ]  - [   0.0000000000000000, -0.0001578200000000,  0.0010499600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007689500000000 ]  - [  -0.0001366800000000,  0.0000789100000000,  0.0010499600000000 ]  - [   0.0001366800000000,  0.0000789100000000,  0.0010499600000000 ]  - [  -0.0004847000000000, -0.0002798400000000, -0.0048453600000000 ]  - [   0.0004847000000000, -0.0002798400000000, -0.0048453600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030359100000000 ]  - [   0.0000000000000000,  0.0005596900000000, -0.0048453600000000 ]  - [   0.0000000000000000, -0.0043854100000000, -0.0048133700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0039298100000000 ]  - [  -0.0037978800000000,  0.0021927100000000, -0.0048133700000000 ]  - [   0.0037978800000000,  0.0021927100000000, -0.0048133700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0124243700000000 ]  - [   0.0000000000000000, -0.0019090700000000,  0.0004441800000000 ]  - [   0.0016533100000000,  0.0009545400000000,  0.0004441800000000 ]  - [  -0.0016533100000000,  0.0009545400000000,  0.0004441800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046537100000000 ]  - [   0.0000000000000000, -0.0006796500000000, -0.0024151300000000 ]  - [   0.0005885900000000,  0.0003398200000000, -0.0024151300000000 ]  - [  -0.0005885900000000,  0.0003398200000000, -0.0024151300000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001220600000000,  0.0012375100000000,  0.0036024800000000 ]  - [   0.0001269700000000, -0.0012420800000000,  0.0002216700000000 ]  - [   0.0022718200000000,  0.0000010500000000,  0.0018969400000000 ]  - [  -0.0034373200000000, -0.0000019800000000,  0.0019471300000000 ]  - [  -0.0000942800000000, -0.0000006500000000,  0.0019136500000000 ]  - [   0.0001074300000000,  0.0000007800000000,  0.0019120100000000 ]  - [  -0.0000413600000000, -0.0000849700000000,  0.0015314800000000 ]  - [  -0.0000390100000000,  0.0000856400000000,  0.0022939300000000 ]  - [   0.0098997500000000, -0.0000135300000000, -0.0016449300000000 ]  - [  -0.0028205000000000,  0.0000121700000000, -0.0018951000000000 ]  - [  -0.0000247600000000,  0.0016130900000000,  0.0002667700000000 ]  - [  -0.0000235000000000, -0.0016161000000000, -0.0040946100000000 ]  - [   0.0000123700000000, -0.0000197800000000, -0.0020729900000000 ]  - [   0.0000155000000000,  0.0000189600000000, -0.0017454500000000 ]  - [  -0.0000197100000000, -0.0000008400000000, -0.0019095900000000 ]  - [   0.0000166000000000,  0.0000009700000000, -0.0019090900000000 ]  - [  -0.0000004300000000, -0.0000139500000000,  0.0000110800000000 ]  - [  -0.0000003300000000,  0.0000146000000000, -0.0000077300000000 ]  - [  -0.0000541400000000, -0.0000002500000000,  0.0000013300000000 ]  - [   0.0000244400000000, -0.0000002600000000,  0.0000018100000000 ]  - [   0.0096023200000000, -0.0000043600000000, -0.0011483300000000 ]  - [   0.0106194400000000, -0.0005403400000000,  0.0017575200000000 ]  - [  -0.0001001600000000,  0.0000043400000000, -0.0000019700000000 ]  - [   0.0096496300000000, -0.0000439500000000,  0.0000004300000000 ]  - [  -0.0000845800000000, -0.0005856200000000, -0.0004407600000000 ]  - [  -0.0000961000000000,  0.0005867300000000,  0.0004479200000000 ]  - [  -0.0008301600000000,  0.0000038300000000, -0.0000012100000000 ]  - [   0.0009249800000000, -0.0000050000000000,  0.0000063200000000 ]  - [   0.0008234200000000,  0.0014083600000000,  0.0017548800000000 ]  - [   0.0008537200000000, -0.0014081800000000, -0.0017480000000000 ]  - [   0.0010058800000000, -0.0000054000000000,  0.0000065700000000 ]  - [  -0.0016007100000000,  0.0000091400000000, -0.0000060800000000 ]  - [   0.0000208200000000,  0.0004021600000000, -0.0009055700000000 ]  - [   0.0000052500000000, -0.0004063200000000,  0.0009023400000000 ]  - [   0.0007131700000000,  0.0000066500000000,  0.0000073000000000 ]  - [  -0.0008953200000000, -0.0000037800000000, -0.0000147000000000 ]  - [   0.0032356800000000, -0.0000005800000000,  0.0000125300000000 ]  - [  -0.0015197700000000, -0.0000004800000000, -0.0000232100000000 ]  - [   0.0000437700000000,  0.0009014400000000, -0.0011853100000000 ]  - [   0.0000400400000000, -0.0009017500000000,  0.0011813100000000 ]  - [   0.0039099000000000,  0.0019898600000000,  0.0153232500000000 ]  - [   0.0038660800000000, -0.0020707900000000, -0.0129726600000000 ]  - [  -0.0015597300000000,  0.0000250400000000,  0.0012350900000000 ]  - [   0.0003717200000000, -0.0000331100000000,  0.0012760700000000 ]  - [  -0.0000069200000000, -0.0001169500000000,  0.0013752500000000 ]  - [  -0.0000073200000000,  0.0001192100000000,  0.0011025700000000 ]  - [  -0.0001999500000000, -0.0000008800000000,  0.0012427700000000 ]  - [   0.0001973700000000, -0.0000012200000000,  0.0012365600000000 ]  - [  -0.0877625000000000,  0.0005361500000000,  0.0017276700000000 ]  - [   0.0259585800000000, -0.0000264400000000,  0.0027276000000000 ]  - [   0.0012631200000000, -0.0142607100000000, -0.0019448200000000 ]  - [   0.0012264500000000,  0.0142747100000000,  0.0073373100000000 ]  - [   0.0000048200000000,  0.0000068700000000,  0.0027528200000000 ]  - [   0.0000058600000000, -0.0000071500000000,  0.0026142600000000 ]  - [   0.0000175100000000, -0.0000004600000000,  0.0026848800000000 ]  - [  -0.0000201400000000,  0.0000001400000000,  0.0026844300000000 ]  - [   0.0000024700000000, -0.0000002100000000, -0.0026864000000000 ]  - [  -0.0000042800000000,  0.0000005300000000, -0.0026868000000000 ]  - [  -0.0000050200000000,  0.0000000900000000, -0.0025592900000000 ]  - [  -0.0000037700000000,  0.0000002300000000, -0.0028142000000000 ]  - [   0.0074412300000000, -0.0146019900000000, -0.0193579100000000 ]  - [   0.0074427300000000,  0.0146808800000000,  0.0141694700000000 ]  - [  -0.0179171500000000,  0.0000741300000000, -0.0027588600000000 ]  - [   0.0173032600000000,  0.0000047000000000, -0.0026869500000000 ]  - [   0.0000671700000000,  0.0002410200000000, -0.0017293900000000 ]  - [   0.0000692900000000, -0.0002407000000000, -0.0007568100000000 ]  - [   0.0003226800000000, -0.0000004000000000, -0.0012439500000000 ]  - [  -0.0003489100000000,  0.0000005600000000, -0.0012398200000000 ]  - [  -0.0000539400000000,  0.0009584400000000, -0.0050730600000000 ]  - [  -0.0000173400000000, -0.0009636000000000,  0.0025881600000000 ]  - [   0.0016839400000000, -0.0000082400000000, -0.0012414800000000 ]  - [  -0.0017001200000000,  0.0000130200000000, -0.0012485000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005187200000000, -0.0002994800000000, -0.0011666500000000 ]  - [  -0.0005187200000000, -0.0002994800000000, -0.0011666500000000 ]  - [   0.0000000000000000,  0.0005989600000000, -0.0011666500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007996500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004001900000000 ]  - [   0.0000000000000000,  0.0004974600000000, -0.0004827200000000 ]  - [  -0.0004308200000000, -0.0002487300000000, -0.0004827200000000 ]  - [   0.0004308200000000, -0.0002487300000000, -0.0004827200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1050190900000000 ]  - [   0.0000000000000000, -0.0016355200000000,  0.0044442400000000 ]  - [   0.0014164000000000,  0.0008177600000000,  0.0044442400000000 ]  - [  -0.0014164000000000,  0.0008177600000000,  0.0044442400000000 ]  - [  -0.0000439200000000,  0.0000253600000000, -0.0042791200000000 ]  - [   0.0000439200000000,  0.0000253600000000, -0.0042791200000000 ]  - [   0.0000000000000000, -0.0000507200000000, -0.0042791200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042301700000000 ]  - [  -0.0000234000000000, -0.0000135100000000, -0.0019730800000000 ]  - [   0.0000234000000000, -0.0000135100000000, -0.0019730800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021179500000000 ]  - [   0.0000000000000000,  0.0000270200000000, -0.0019730800000000 ]  - [  -0.0050277800000000, -0.0029027900000000,  0.0168799000000000 ]  - [   0.0050277800000000, -0.0029027900000000,  0.0168799000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043219200000000 ]  - [   0.0000000000000000,  0.0058055800000000,  0.0168799000000000 ]  - [   0.0002427400000000,  0.0001401500000000, -0.0028963000000000 ]  - [  -0.0002427400000000,  0.0001401500000000, -0.0028963000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035506100000000 ]  - [   0.0000000000000000, -0.0002802900000000, -0.0028963000000000 ]  - [  -0.0031568100000000, -0.0018225800000000, -0.0046544300000000 ]  - [   0.0031568100000000, -0.0018225800000000, -0.0046544300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004084800000000 ]  - [   0.0000000000000000,  0.0036451700000000, -0.0046544300000000 ]  - [   0.0003127700000000, -0.0001805800000000,  0.0033461300000000 ]  - [  -0.0003127700000000, -0.0001805800000000,  0.0033461300000000 ]  - [   0.0000000000000000,  0.0003611600000000,  0.0033461300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022925000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0099386800000000 ]  - [   0.0000000000000000, -0.0018511900000000,  0.0005291000000000 ]  - [   0.0016031800000000,  0.0009256000000000,  0.0005291000000000 ]  - [  -0.0016031800000000,  0.0009256000000000,  0.0005291000000000 ]  - [   0.0165402900000000,  0.0095495400000000,  0.0083048600000000 ]  - [  -0.0165402900000000,  0.0095495400000000,  0.0083048600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007674800000000 ]  - [   0.0000000000000000, -0.0190990800000000,  0.0083048600000000 ]  - [   0.0000120000000000,  0.0000069300000000,  0.0028751500000000 ]  - [  -0.0000120000000000,  0.0000069300000000,  0.0028751500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031592200000000 ]  - [   0.0000000000000000, -0.0000138600000000,  0.0028751500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2119760900000000 ]  - [   0.0000000000000000,  0.0053728400000000, -0.0147421100000000 ]  - [  -0.0046530200000000, -0.0026864200000000, -0.0147421100000000 ]  - [   0.0046530200000000, -0.0026864200000000, -0.0147421100000000 ]  - [  -0.0000697300000000,  0.0000402600000000,  0.0043684500000000 ]  - [   0.0000697300000000,  0.0000402600000000,  0.0043684500000000 ]  - [   0.0000000000000000, -0.0000805200000000,  0.0043684500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043306900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010324300000000 ]  - [   0.0000000000000000,  0.0001478700000000, -0.0010331800000000 ]  - [  -0.0001280600000000, -0.0000739400000000, -0.0010331800000000 ]  - [   0.0001280600000000, -0.0000739400000000, -0.0010331800000000 ]  - [  -0.0169008200000000,  0.0097576900000000,  0.0159818500000000 ]  - [   0.0169008200000000,  0.0097576900000000,  0.0159818500000000 ]  - [   0.0000000000000000, -0.0195153900000000,  0.0159818500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0112066100000000 ]  - [  -0.0002726800000000, -0.0001574300000000,  0.0009231200000000 ]  - [   0.0002726800000000, -0.0001574300000000,  0.0009231200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008904400000000 ]  - [   0.0000000000000000,  0.0003148600000000,  0.0009231200000000 ]  - [  -0.0009873400000000, -0.0005700400000000,  0.0008930100000000 ]  - [   0.0009873400000000, -0.0005700400000000,  0.0008930100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0000010800000000 ]  - [   0.0000000000000000,  0.0011400800000000,  0.0008930100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005198700000000,  0.0003001500000000,  0.0049747900000000 ]  - [   0.0005198700000000,  0.0003001500000000,  0.0049747900000000 ]  - [   0.0000000000000000, -0.0006002900000000,  0.0049747900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030494500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042046900000000 ]  - [   0.0000000000000000, -0.0004930700000000,  0.0042904000000000 ]  - [   0.0004270100000000,  0.0002465400000000,  0.0042904000000000 ]  - [  -0.0004270100000000,  0.0002465400000000,  0.0042904000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1150810400000000 ]  - [   0.0000000000000000,  0.0016421400000000, -0.0082585300000000 ]  - [  -0.0014221400000000, -0.0008210700000000, -0.0082585300000000 ]  - [   0.0014221400000000, -0.0008210700000000, -0.0082585300000000 ]  - [   0.0000428800000000, -0.0000247600000000,  0.0004775700000000 ]  - [  -0.0000428800000000, -0.0000247600000000,  0.0004775700000000 ]  - [   0.0000000000000000,  0.0000495100000000,  0.0004775700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004285300000000 ]  - [   0.0000233000000000,  0.0000134600000000,  0.0019768200000000 ]  - [  -0.0000233000000000,  0.0000134600000000,  0.0019768200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021202400000000 ]  - [   0.0000000000000000, -0.0000269100000000,  0.0019768200000000 ]  - [   0.0047662800000000,  0.0027518100000000, -0.0167119200000000 ]  - [  -0.0047662800000000,  0.0027518100000000, -0.0167119200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043359700000000 ]  - [   0.0000000000000000, -0.0055036300000000, -0.0167119200000000 ]  - [  -0.0002395300000000, -0.0001382900000000,  0.0029025100000000 ]  - [   0.0002395300000000, -0.0001382900000000,  0.0029025100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035543600000000 ]  - [   0.0000000000000000,  0.0002765800000000,  0.0029025100000000 ]  - [   0.0031328900000000,  0.0018087700000000,  0.0046612500000000 ]  - [  -0.0031328900000000,  0.0018087700000000,  0.0046612500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003883400000000 ]  - [   0.0000000000000000, -0.0036175500000000,  0.0046612500000000 ]  - [  -0.0003147900000000,  0.0001817400000000, -0.0033498400000000 ]  - [   0.0003147900000000,  0.0001817400000000, -0.0033498400000000 ]  - [   0.0000000000000000, -0.0003634900000000, -0.0033498400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023030300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0099159900000000 ]  - [   0.0000000000000000,  0.0018456000000000, -0.0005507800000000 ]  - [  -0.0015983300000000, -0.0009228000000000, -0.0005507800000000 ]  - [   0.0015983300000000, -0.0009228000000000, -0.0005507800000000 ]  - [  -0.0166132900000000, -0.0095916800000000, -0.0059144200000000 ]  - [   0.0166132900000000, -0.0095916800000000, -0.0059144200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017297100000000 ]  - [   0.0000000000000000,  0.0191833700000000, -0.0059144200000000 ]  - [  -0.0000109900000000, -0.0000063400000000, -0.0003859300000000 ]  - [   0.0000109900000000, -0.0000063400000000, -0.0003859300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006705600000000 ]  - [   0.0000000000000000,  0.0000126900000000, -0.0003859300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2228042100000000 ]  - [   0.0000000000000000, -0.0053463000000000,  0.0201539000000000 ]  - [   0.0046300300000000,  0.0026731500000000,  0.0201539000000000 ]  - [  -0.0046300300000000,  0.0026731500000000,  0.0201539000000000 ]  - [   0.0000678200000000, -0.0000391600000000,  0.0010051000000000 ]  - [  -0.0000678200000000, -0.0000391600000000,  0.0010051000000000 ]  - [   0.0000000000000000,  0.0000783100000000,  0.0010051000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010435100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043426200000000 ]  - [   0.0000000000000000, -0.0001451200000000, -0.0043463200000000 ]  - [   0.0001256800000000,  0.0000725600000000, -0.0043463200000000 ]  - [  -0.0001256800000000,  0.0000725600000000, -0.0043463200000000 ]  - [   0.0166288300000000, -0.0096006600000000, -0.0212050000000000 ]  - [  -0.0166288300000000, -0.0096006600000000, -0.0212050000000000 ]  - [   0.0000000000000000,  0.0192013200000000, -0.0212050000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0165514700000000 ]  - [   0.0002746800000000,  0.0001585900000000, -0.0034178300000000 ]  - [  -0.0002746800000000,  0.0001585900000000, -0.0034178300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016088400000000 ]  - [   0.0000000000000000, -0.0003171700000000, -0.0034178300000000 ]  - [   0.0009786800000000,  0.0005650400000000, -0.0033841600000000 ]  - [  -0.0009786800000000,  0.0005650400000000, -0.0033841600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024897100000000 ]  - [   0.0000000000000000, -0.0011300800000000, -0.0033841600000000 ]