# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6a516b31-4261-4336-8138-5e45b5a6330f/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 NaSr3TaO6 / R-3c (167) / materials id 13042](https://mdr.nims.go.jp/datasets/c641b997-28dc-4348-8bfb-10cdee18693c)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.869966953333338,     2.811676733333330,     3.857847143333330 ] # a  - [    -4.869966956666661,     2.811676733333330,     3.857847143333330 ] # b  - [     0.000000003333338,    -5.623353466666669,     3.857847143333330 ] # c  points:  - symbol: O  # 1    coordinates: [  0.945231440000000,  0.073499320000001,  0.279623730000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.279623730000000,  0.945231440000001,  0.073499320000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.073499320000000,  0.279623730000001,  0.945231440000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.220376280000000,  0.426500690000001,  0.554768560000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.554768560000000,  0.220376280000001,  0.426500690000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.426500690000000,  0.554768560000001,  0.220376280000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.054768560000000,  0.926500680000002,  0.720376270000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.720376270000000,  0.054768560000002,  0.926500680000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.926500680000000,  0.720376270000002,  0.054768560000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.779623720000000,  0.573499310000002,  0.445231440000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.573499310000000,  0.445231440000002,  0.779623720000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.445231440000000,  0.779623720000002,  0.573499310000000 ]    mass: 15.999400  - symbol: Na # 13    coordinates: [  0.250000000000000,  0.250000000000001,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 14    coordinates: [  0.750000000000000,  0.750000000000002,  0.750000000000000 ]    mass: 22.989769  - symbol: Sr # 15    coordinates: [  0.250000000000000,  0.601304290000002,  0.898695700000000 ]    mass: 87.620000  - symbol: Sr # 16    coordinates: [  0.898695700000000,  0.250000000000002,  0.601304290000000 ]    mass: 87.620000  - symbol: Sr # 17    coordinates: [  0.601304290000000,  0.898695700000002,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 18    coordinates: [  0.750000000000000,  0.398695710000001,  0.101304300000000 ]    mass: 87.620000  - symbol: Sr # 19    coordinates: [  0.101304300000000,  0.750000000000001,  0.398695710000000 ]    mass: 87.620000  - symbol: Sr # 20    coordinates: [  0.398695710000000,  0.101304300000001,  0.750000000000000 ]    mass: 87.620000  - symbol: Ta # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880  - symbol: Ta # 22    coordinates: [  0.500000000000000,  0.500000000000002,  0.500000000000000 ]    mass: 180.947880  reciprocal_lattice: # without 2pi  - [     0.102670101177309,     0.059276610593919,     0.086403976349701 ] # a*  - [    -0.102670101177309,     0.059276610472201,     0.086403976349701 ] # b*  - [     0.000000000000000,    -0.118553221066120,     0.086403976349701 ] # c*unit_cell:  lattice:  - [     9.739933910000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.869966960000000,     8.435030200000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.573541430000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.512446610000000,  0.153161100000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.846838900000000,  0.359285510000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.640714490000000,  0.487553390000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.819827770000000,  0.845779950000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.154220050000000,  0.974047820000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.025952180000000,  0.180172230000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.487553390000000,  0.846838900000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.153161100000000,  0.640714490000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.359285510000000,  0.512446610000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.180172230000000,  0.154220050000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.974047820000000,  0.819827770000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.845779950000000,  0.025952180000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.179113280000000,  0.486494440000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.513505560000000,  0.692618840000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.307381160000000,  0.820886720000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.486494440000000,  0.179113280000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.820886720000000,  0.307381160000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.692618840000000,  0.513505560000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.154220050000000,  0.180172230000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.819827770000000,  0.974047820000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.025952180000000,  0.845779950000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.846838900000000,  0.487553390000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.640714490000000,  0.153161100000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.512446610000000,  0.359285510000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.845779950000000,  0.819827770000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.180172230000000,  0.025952180000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.974047820000000,  0.154220050000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.153161100000000,  0.512446610000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.487553390000000,  0.640714490000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.359285510000000,  0.846838900000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.820886720000000,  0.513505560000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.486494440000000,  0.307381160000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.692618840000000,  0.179113280000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.513505560000000,  0.820886720000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.307381160000000,  0.486494440000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.179113280000000,  0.692618840000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Na # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 39    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 41    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Sr # 43    coordinates: [  0.666666670000000,  0.684637630000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 44    coordinates: [  0.315362370000000,  0.982029040000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 45    coordinates: [  0.017970960000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 46    coordinates: [  0.333333330000000,  0.315362370000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 47    coordinates: [  0.684637630000000,  0.017970960000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 48    coordinates: [  0.982029040000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Sr # 49    coordinates: [  0.333333330000000,  0.017970960000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 50    coordinates: [  0.982029040000000,  0.315362370000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 51    coordinates: [  0.684637630000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 52    coordinates: [  0.000000000000000,  0.648695700000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 53    coordinates: [  0.351304300000000,  0.351304300000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 54    coordinates: [  0.648695700000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Sr # 55    coordinates: [  0.000000000000000,  0.351304300000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 56    coordinates: [  0.648695700000000,  0.648695700000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 57    coordinates: [  0.351304300000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 58    coordinates: [  0.666666670000000,  0.982029040000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 59    coordinates: [  0.017970960000000,  0.684637630000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 60    coordinates: [  0.315362370000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Ta # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 62  - symbol: Ta # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 180.947880    reduced_to: 62  - symbol: Ta # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 66    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 180.947880    reduced_to: 62supercell:  lattice:  - [     9.739933910000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.869966960000000,     8.435030200000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.573541430000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.512446610000000,  0.153161100000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.846838900000000,  0.359285510000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.640714490000000,  0.487553390000000,  0.432784830000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.819827770000000,  0.845779950000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.154220050000000,  0.974047820000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.025952180000000,  0.180172230000000,  0.400548510000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.487553390000000,  0.846838900000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.153161100000000,  0.640714490000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.359285510000000,  0.512446610000000,  0.567215170000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.180172230000000,  0.154220050000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.974047820000000,  0.819827770000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.845779950000000,  0.025952180000000,  0.599451490000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.179113280000000,  0.486494440000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.513505560000000,  0.692618840000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.307381160000000,  0.820886720000000,  0.766118160000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.486494440000000,  0.179113280000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.820886720000000,  0.307381160000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.692618840000000,  0.513505560000000,  0.733881840000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.154220050000000,  0.180172230000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.819827770000000,  0.974047820000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.025952180000000,  0.845779950000000,  0.900548510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.846838900000000,  0.487553390000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.640714490000000,  0.153161100000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.512446610000000,  0.359285510000000,  0.932784830000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.845779950000000,  0.819827770000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.180172230000000,  0.025952180000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.974047820000000,  0.154220050000000,  0.099451490000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.153161100000000,  0.512446610000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.487553390000000,  0.640714490000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.359285510000000,  0.846838900000000,  0.067215170000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.820886720000000,  0.513505560000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.486494440000000,  0.307381160000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.692618840000000,  0.179113280000000,  0.233881840000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.513505560000000,  0.820886720000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.307381160000000,  0.486494440000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.179113280000000,  0.692618840000000,  0.266118160000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Na # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 39    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 40    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 41    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 42    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Sr # 43    coordinates: [  0.666666670000000,  0.684637630000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 44    coordinates: [  0.315362370000000,  0.982029040000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 45    coordinates: [  0.017970960000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 46    coordinates: [  0.333333330000000,  0.315362370000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 47    coordinates: [  0.684637630000000,  0.017970960000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 48    coordinates: [  0.982029040000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Sr # 49    coordinates: [  0.333333330000000,  0.017970960000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 50    coordinates: [  0.982029040000000,  0.315362370000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 51    coordinates: [  0.684637630000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 52    coordinates: [  0.000000000000000,  0.648695700000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 53    coordinates: [  0.351304300000000,  0.351304300000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 54    coordinates: [  0.648695700000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Sr # 55    coordinates: [  0.000000000000000,  0.351304300000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 43  - symbol: Sr # 56    coordinates: [  0.648695700000000,  0.648695700000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 44  - symbol: Sr # 57    coordinates: [  0.351304300000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 45  - symbol: Sr # 58    coordinates: [  0.666666670000000,  0.982029040000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 46  - symbol: Sr # 59    coordinates: [  0.017970960000000,  0.684637630000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 47  - symbol: Sr # 60    coordinates: [  0.315362370000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 48  - symbol: Ta # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 62    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 180.947880    reduced_to: 62  - symbol: Ta # 63    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 64    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 180.947880    reduced_to: 62  - symbol: Ta # 65    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 180.947880    reduced_to: 61  - symbol: Ta # 66    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 180.947880    reduced_to: 62displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0677306400000000, -0.0344143500000000,  0.0227998500000000 ]  - [   0.0133633700000000,  0.0149290900000000, -0.0007880800000000 ]  - [  -0.0073090000000000, -0.0029738200000000,  0.0031038500000000 ]  - [   0.0057264300000000, -0.0000837500000000,  0.0012363300000000 ]  - [   0.0126079400000000,  0.0069232100000000, -0.0002970900000000 ]  - [   0.0045224400000000, -0.0006499300000000,  0.0010949600000000 ]  - [  -0.0019052800000000, -0.0035234000000000,  0.0029812100000000 ]  - [   0.0004308700000000,  0.0017351700000000,  0.0007911500000000 ]  - [   0.0009013800000000, -0.0019939700000000, -0.0014624100000000 ]  - [   0.0043141900000000,  0.0006341500000000, -0.0012290600000000 ]  - [   0.0015311100000000,  0.0012223100000000, -0.0000373000000000 ]  - [   0.0041819500000000, -0.0003882000000000,  0.0003345900000000 ]  - [   0.0002437000000000,  0.0000856000000000,  0.0001417900000000 ]  - [  -0.0001929300000000, -0.0002456600000000,  0.0000312700000000 ]  - [  -0.0014762400000000,  0.0015359600000000, -0.0010878500000000 ]  - [  -0.0020992700000000, -0.0014273000000000, -0.0026985300000000 ]  - [  -0.0006026800000000,  0.0001307200000000,  0.0011742000000000 ]  - [  -0.0004243000000000, -0.0000234000000000, -0.0001443300000000 ]  - [   0.0005051100000000,  0.0002396500000000, -0.0004579000000000 ]  - [   0.0004542900000000, -0.0000411800000000, -0.0002320100000000 ]  - [   0.0002886800000000,  0.0001367400000000, -0.0004815700000000 ]  - [  -0.0004940700000000, -0.0002155500000000, -0.0008864800000000 ]  - [  -0.0007784500000000,  0.0001239500000000, -0.0011688300000000 ]  - [  -0.0004558400000000, -0.0001707100000000,  0.0000682300000000 ]  - [   0.0002445600000000,  0.0004469700000000, -0.0003978700000000 ]  - [   0.0014701700000000,  0.0001599900000000,  0.0012778400000000 ]  - [   0.0015253400000000, -0.0007490800000000, -0.0009981300000000 ]  - [   0.0005527500000000,  0.0001888300000000, -0.0003165600000000 ]  - [   0.0000786200000000, -0.0004814300000000, -0.0001887400000000 ]  - [  -0.0008872400000000,  0.0007687000000000,  0.0004615900000000 ]  - [   0.0050007000000000,  0.0079233800000000, -0.0054525900000000 ]  - [  -0.0052234900000000, -0.0073303800000000,  0.0084315500000000 ]  - [   0.0049891700000000,  0.0014059600000000, -0.0139993500000000 ]  - [  -0.0013394100000000, -0.0026272500000000, -0.0019380400000000 ]  - [   0.0015262500000000, -0.0018891100000000,  0.0020757700000000 ]  - [   0.0004958100000000,  0.0017456200000000,  0.0000537600000000 ]  - [  -0.0009984800000000, -0.0000923900000000, -0.0004999500000000 ]  - [  -0.0003934000000000, -0.0001006100000000,  0.0003655400000000 ]  - [   0.0043750200000000,  0.0013544900000000,  0.0003303800000000 ]  - [   0.0012067600000000, -0.0001610000000000,  0.0007469700000000 ]  - [   0.0000207600000000, -0.0001027200000000,  0.0001793400000000 ]  - [   0.0000685100000000,  0.0002449900000000, -0.0001476300000000 ]  - [  -0.0002027400000000,  0.0005386600000000, -0.0002547100000000 ]  - [   0.0083706100000000,  0.0003713100000000, -0.0004759700000000 ]  - [  -0.0034142000000000,  0.0000766400000000, -0.0022544700000000 ]  - [  -0.0074069100000000,  0.0067657700000000, -0.0014693300000000 ]  - [   0.0048739100000000,  0.0029831900000000, -0.0024807300000000 ]  - [  -0.0000937700000000, -0.0048431600000000, -0.0012378600000000 ]  - [   0.0000893800000000, -0.0000083800000000,  0.0005334800000000 ]  - [  -0.0004082600000000, -0.0000891500000000,  0.0005025000000000 ]  - [   0.0001035600000000,  0.0001626000000000,  0.0003104000000000 ]  - [  -0.0002050400000000, -0.0009202800000000,  0.0002863200000000 ]  - [  -0.0003248000000000,  0.0008094900000000,  0.0013386800000000 ]  - [   0.0002425400000000,  0.0004802400000000, -0.0009014200000000 ]  - [  -0.0041136700000000, -0.0006563800000000,  0.0014828700000000 ]  - [   0.0007481800000000,  0.0007981900000000, -0.0001640800000000 ]  - [   0.0058485800000000, -0.0015271900000000, -0.0028397900000000 ]  - [  -0.0003167800000000,  0.0016876700000000,  0.0019910600000000 ]  - [  -0.0004264600000000, -0.0012812000000000,  0.0009039100000000 ]  - [  -0.0009224600000000,  0.0002359000000000, -0.0007655400000000 ]  - [  -0.0021650700000000, -0.0000755300000000,  0.0005479800000000 ]  - [  -0.0130827700000000, -0.0018221200000000,  0.0013634300000000 ]  - [   0.0304375900000000,  0.0104815200000000, -0.0097989400000000 ]  - [   0.0028909500000000,  0.0009785200000000,  0.0012452400000000 ]  - [   0.0007816100000000,  0.0011670400000000, -0.0013440500000000 ]  - [   0.0003808300000000,  0.0014363600000000,  0.0007111600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0674688400000000,  0.0345067700000000, -0.0224694000000000 ]  - [  -0.0132581100000000, -0.0147309600000000,  0.0007621600000000 ]  - [   0.0073536800000000,  0.0028500100000000, -0.0031260700000000 ]  - [  -0.0057115500000000,  0.0000382700000000, -0.0012415200000000 ]  - [  -0.0127094500000000, -0.0070241000000000,  0.0002896100000000 ]  - [  -0.0045221300000000,  0.0006470700000000, -0.0010890000000000 ]  - [   0.0018780200000000,  0.0035174000000000, -0.0029702800000000 ]  - [  -0.0004276800000000, -0.0017361500000000, -0.0007786500000000 ]  - [  -0.0008991100000000,  0.0020204000000000,  0.0014917000000000 ]  - [  -0.0043174900000000, -0.0006429500000000,  0.0012513300000000 ]  - [  -0.0015293600000000, -0.0012442000000000,  0.0000469700000000 ]  - [  -0.0041831800000000,  0.0003877100000000, -0.0003216500000000 ]  - [  -0.0002404100000000, -0.0000917400000000, -0.0001379000000000 ]  - [   0.0001985300000000,  0.0002536500000000, -0.0000314400000000 ]  - [   0.0014692100000000, -0.0015380600000000,  0.0010942600000000 ]  - [   0.0020973500000000,  0.0014293100000000,  0.0026896900000000 ]  - [   0.0005940900000000, -0.0001345600000000, -0.0011633500000000 ]  - [   0.0004294000000000,  0.0000234500000000,  0.0001458700000000 ]  - [  -0.0005116900000000, -0.0002399200000000,  0.0004678700000000 ]  - [  -0.0004506700000000,  0.0000345500000000,  0.0002449900000000 ]  - [  -0.0002847200000000, -0.0001301600000000,  0.0004957100000000 ]  - [   0.0004942800000000,  0.0002092200000000,  0.0008857500000000 ]  - [   0.0007706400000000, -0.0001226600000000,  0.0011609300000000 ]  - [   0.0004607500000000,  0.0001755900000000, -0.0000745200000000 ]  - [  -0.0002379800000000, -0.0004611800000000,  0.0003981900000000 ]  - [  -0.0014578500000000, -0.0001555600000000, -0.0012765600000000 ]  - [  -0.0015318100000000,  0.0007396900000000,  0.0009878200000000 ]  - [  -0.0005614400000000, -0.0001848300000000,  0.0003198900000000 ]  - [  -0.0000762900000000,  0.0004759700000000,  0.0001961100000000 ]  - [   0.0008923900000000, -0.0007645800000000, -0.0004593900000000 ]  - [  -0.0050106700000000, -0.0080681300000000,  0.0055631100000000 ]  - [   0.0053037600000000,  0.0073156300000000, -0.0083982600000000 ]  - [  -0.0050275700000000, -0.0013799700000000,  0.0139229100000000 ]  - [   0.0013307900000000,  0.0026187500000000,  0.0019194100000000 ]  - [  -0.0015373700000000,  0.0019108900000000, -0.0021185000000000 ]  - [  -0.0005006500000000, -0.0017333500000000, -0.0000676600000000 ]  - [   0.0009939800000000,  0.0000909400000000,  0.0005110300000000 ]  - [   0.0003954200000000,  0.0001052500000000, -0.0003733200000000 ]  - [  -0.0043829600000000, -0.0013336300000000, -0.0002857500000000 ]  - [  -0.0012034700000000,  0.0001590100000000, -0.0007601600000000 ]  - [  -0.0000227400000000,  0.0000974900000000, -0.0001829300000000 ]  - [  -0.0000635000000000, -0.0002487100000000,  0.0001497100000000 ]  - [   0.0001837000000000, -0.0005002100000000,  0.0002618000000000 ]  - [  -0.0084469800000000, -0.0005001200000000,  0.0006169300000000 ]  - [   0.0034396500000000, -0.0000881900000000,  0.0022409400000000 ]  - [   0.0072422500000000, -0.0067508600000000,  0.0014811400000000 ]  - [  -0.0042448000000000, -0.0032575600000000,  0.0024259300000000 ]  - [   0.0000845500000000,  0.0048652900000000,  0.0012571100000000 ]  - [  -0.0000996800000000,  0.0000250000000000, -0.0005434900000000 ]  - [   0.0004009700000000,  0.0000739300000000, -0.0005066100000000 ]  - [  -0.0000882800000000, -0.0001608700000000, -0.0003201100000000 ]  - [   0.0002179000000000,  0.0009072000000000, -0.0002934500000000 ]  - [   0.0003289600000000, -0.0007943500000000, -0.0013536900000000 ]  - [  -0.0002591200000000, -0.0004828100000000,  0.0008878300000000 ]  - [   0.0041207700000000,  0.0006646500000000, -0.0014668400000000 ]  - [  -0.0007827100000000, -0.0007887600000000,  0.0001662400000000 ]  - [  -0.0058788500000000,  0.0014577600000000,  0.0027654500000000 ]  - [   0.0003304600000000, -0.0017088600000000, -0.0019952700000000 ]  - [   0.0004508800000000,  0.0013097100000000, -0.0009190000000000 ]  - [   0.0008883000000000, -0.0002343200000000,  0.0007587300000000 ]  - [   0.0021577800000000,  0.0000842200000000, -0.0005630800000000 ]  - [   0.0131117800000000,  0.0018512000000000, -0.0013950600000000 ]  - [  -0.0305985800000000, -0.0100092200000000,  0.0094535600000000 ]  - [  -0.0028856300000000, -0.0009787700000000, -0.0012522400000000 ]  - [  -0.0007766000000000, -0.0011785900000000,  0.0013246400000000 ]  - [  -0.0003680000000000, -0.0014471100000000, -0.0007001700000000 ]- atom:    1  displacement:    [  -0.0050000000026238,  0.0086602540363296,  0.0000000000000000 ]  forces:  - [   0.0033735000000000, -0.0883479400000000,  0.0341341800000000 ]  - [   0.0087448600000000, -0.0034371300000000,  0.0035576900000000 ]  - [  -0.0014597600000000,  0.0235312000000000,  0.0000650100000000 ]  - [  -0.0033843000000000,  0.0046380300000000,  0.0006538700000000 ]  - [   0.0029806100000000, -0.0013581400000000,  0.0002880100000000 ]  - [  -0.0016926200000000, -0.0021701300000000,  0.0005986700000000 ]  - [  -0.0021020600000000,  0.0100258200000000, -0.0076070800000000 ]  - [   0.0013974800000000,  0.0018444700000000,  0.0005503300000000 ]  - [  -0.0023088500000000,  0.0033161000000000,  0.0023496700000000 ]  - [  -0.0006555800000000, -0.0019282800000000,  0.0007445900000000 ]  - [   0.0008831100000000,  0.0010595000000000,  0.0003051300000000 ]  - [  -0.0023487000000000, -0.0000825500000000, -0.0009837500000000 ]  - [   0.0002727000000000,  0.0017928700000000, -0.0009176900000000 ]  - [  -0.0013435100000000,  0.0009904300000000, -0.0011276100000000 ]  - [  -0.0000343600000000,  0.0010202200000000, -0.0015079300000000 ]  - [   0.0001017300000000, -0.0023671800000000, -0.0011829100000000 ]  - [   0.0004541000000000, -0.0007439300000000, -0.0003327600000000 ]  - [   0.0002385100000000, -0.0000365900000000,  0.0009530500000000 ]  - [  -0.0000492000000000, -0.0000545100000000, -0.0004627000000000 ]  - [  -0.0004448000000000,  0.0000717400000000, -0.0006293600000000 ]  - [   0.0001611000000000,  0.0001343700000000, -0.0006310300000000 ]  - [   0.0001375900000000, -0.0004970200000000, -0.0010783700000000 ]  - [   0.0002773100000000, -0.0005932400000000, -0.0002249600000000 ]  - [   0.0003508900000000, -0.0002911100000000, -0.0014859400000000 ]  - [  -0.0000416600000000,  0.0016152400000000, -0.0011893900000000 ]  - [   0.0015010000000000, -0.0008346600000000,  0.0010874200000000 ]  - [  -0.0001909600000000, -0.0002548100000000, -0.0002873000000000 ]  - [   0.0003544800000000,  0.0008496700000000,  0.0000882700000000 ]  - [  -0.0010884200000000,  0.0011479300000000, -0.0000437700000000 ]  - [  -0.0002197900000000,  0.0011786600000000,  0.0004970700000000 ]  - [   0.0043798700000000,  0.0154482400000000, -0.0091608600000000 ]  - [  -0.0057067600000000,  0.0024710300000000, -0.0153778900000000 ]  - [   0.0006668300000000, -0.0107562100000000,  0.0044065800000000 ]  - [  -0.0006631200000000,  0.0045873100000000,  0.0044369700000000 ]  - [  -0.0018381500000000,  0.0026268700000000, -0.0016756600000000 ]  - [   0.0013147100000000,  0.0020394500000000,  0.0005382100000000 ]  - [   0.0001195800000000, -0.0000171300000000, -0.0003065800000000 ]  - [   0.0000144100000000,  0.0000272800000000,  0.0002424500000000 ]  - [  -0.0011712400000000,  0.0053583700000000,  0.0002723200000000 ]  - [  -0.0007572200000000,  0.0008164500000000,  0.0012216500000000 ]  - [   0.0000335600000000, -0.0001277200000000,  0.0003591000000000 ]  - [   0.0002834900000000, -0.0025066500000000, -0.0005080600000000 ]  - [   0.0023146300000000, -0.0039289800000000, -0.0026054500000000 ]  - [  -0.0042977000000000,  0.0047408800000000,  0.0011195200000000 ]  - [  -0.0002827700000000,  0.0005640100000000, -0.0008995400000000 ]  - [   0.0088436100000000,  0.0010592500000000, -0.0010424500000000 ]  - [   0.0029781200000000,  0.0022165900000000, -0.0006413400000000 ]  - [  -0.0031164700000000, -0.0035563400000000, -0.0017482000000000 ]  - [  -0.0002603000000000,  0.0005482600000000,  0.0006802300000000 ]  - [  -0.0000829300000000,  0.0000123800000000,  0.0004882600000000 ]  - [   0.0004986700000000, -0.0003856200000000,  0.0007628800000000 ]  - [  -0.0009080600000000, -0.0006632100000000,  0.0003798500000000 ]  - [   0.0005830300000000, -0.0000463500000000, -0.0005035900000000 ]  - [   0.0009853600000000,  0.0006197200000000,  0.0025740600000000 ]  - [  -0.0007815400000000,  0.0012666800000000,  0.0002090300000000 ]  - [   0.0030424100000000, -0.0045407400000000,  0.0016630100000000 ]  - [  -0.0038671400000000,  0.0050313100000000, -0.0034422400000000 ]  - [   0.0005103400000000,  0.0000336900000000, -0.0006975900000000 ]  - [  -0.0014390100000000, -0.0014614300000000,  0.0015304900000000 ]  - [   0.0020257300000000,  0.0002884700000000,  0.0021636000000000 ]  - [  -0.0004276000000000, -0.0007329600000000,  0.0009437500000000 ]  - [   0.0010421500000000,  0.0012860000000000, -0.0003366400000000 ]  - [  -0.0062843500000000,  0.0396821400000000, -0.0144867100000000 ]  - [  -0.0006281300000000,  0.0021901100000000,  0.0013143600000000 ]  - [  -0.0006718900000000, -0.0088330800000000,  0.0034750300000000 ]  - [  -0.0003165400000000, -0.0055770900000000, -0.0015289500000000 ]- atom:    1  displacement:    [   0.0050000000026238, -0.0086602540363296,  0.0000000000000000 ]  forces:  - [  -0.0045266900000000,  0.0873798300000000, -0.0330866200000000 ]  - [  -0.0088375700000000,  0.0033395800000000, -0.0035425200000000 ]  - [   0.0014641900000000, -0.0231846700000000, -0.0000567300000000 ]  - [   0.0034258300000000, -0.0046433100000000, -0.0006468200000000 ]  - [  -0.0029109000000000,  0.0013769600000000, -0.0002902300000000 ]  - [   0.0017017700000000,  0.0021850700000000, -0.0005924000000000 ]  - [   0.0021078100000000, -0.0100907100000000,  0.0076912900000000 ]  - [  -0.0014189900000000, -0.0018549400000000, -0.0005476100000000 ]  - [   0.0023049500000000, -0.0033161500000000, -0.0023313000000000 ]  - [   0.0006748900000000,  0.0019258000000000, -0.0007377400000000 ]  - [  -0.0008714600000000, -0.0010695600000000, -0.0003009400000000 ]  - [   0.0023651600000000,  0.0000941300000000,  0.0009980900000000 ]  - [  -0.0002764900000000, -0.0018119500000000,  0.0009257700000000 ]  - [   0.0013514800000000, -0.0009881100000000,  0.0011389800000000 ]  - [   0.0000110400000000, -0.0010054300000000,  0.0015089800000000 ]  - [  -0.0001078700000000,  0.0023575700000000,  0.0011556800000000 ]  - [  -0.0004555200000000,  0.0007376600000000,  0.0003283300000000 ]  - [  -0.0002311500000000,  0.0000356800000000, -0.0009484600000000 ]  - [   0.0000467300000000,  0.0000612200000000,  0.0004636900000000 ]  - [   0.0004386800000000, -0.0000758900000000,  0.0006355000000000 ]  - [  -0.0001528300000000, -0.0001333200000000,  0.0006369700000000 ]  - [  -0.0001334300000000,  0.0004930600000000,  0.0010730800000000 ]  - [  -0.0002805700000000,  0.0005880500000000,  0.0002189000000000 ]  - [  -0.0003482600000000,  0.0002917600000000,  0.0014708800000000 ]  - [   0.0000448900000000, -0.0016213000000000,  0.0011833700000000 ]  - [  -0.0014908500000000,  0.0008387000000000, -0.0010898200000000 ]  - [   0.0001761800000000,  0.0002584900000000,  0.0002854600000000 ]  - [  -0.0003665800000000, -0.0008516900000000, -0.0000849600000000 ]  - [   0.0010913400000000, -0.0011530900000000,  0.0000406100000000 ]  - [   0.0002136400000000, -0.0011568800000000, -0.0004955300000000 ]  - [  -0.0044607200000000, -0.0154218400000000,  0.0092193500000000 ]  - [   0.0056989900000000, -0.0025071500000000,  0.0152947300000000 ]  - [  -0.0007246600000000,  0.0107653100000000, -0.0043492600000000 ]  - [   0.0006674800000000, -0.0046088500000000, -0.0044838600000000 ]  - [   0.0018285000000000, -0.0026269000000000,  0.0016548600000000 ]  - [  -0.0013357800000000, -0.0020352500000000, -0.0005475700000000 ]  - [  -0.0001275100000000,  0.0000129100000000,  0.0003095800000000 ]  - [  -0.0000137800000000, -0.0000239700000000, -0.0002454200000000 ]  - [   0.0012130000000000, -0.0052949200000000, -0.0001724300000000 ]  - [   0.0007537500000000, -0.0008135900000000, -0.0012284300000000 ]  - [  -0.0000336700000000,  0.0001240900000000, -0.0003613200000000 ]  - [  -0.0002755100000000,  0.0025288300000000,  0.0005087100000000 ]  - [  -0.0023258900000000,  0.0039408500000000,  0.0025843400000000 ]  - [   0.0042540600000000, -0.0047938100000000, -0.0010617800000000 ]  - [   0.0003189900000000, -0.0005719900000000,  0.0009101900000000 ]  - [  -0.0089755800000000, -0.0009612200000000,  0.0010303600000000 ]  - [  -0.0024538700000000, -0.0024605600000000,  0.0005960700000000 ]  - [   0.0030830200000000,  0.0035723800000000,  0.0017589200000000 ]  - [   0.0002520400000000, -0.0005349100000000, -0.0006835200000000 ]  - [   0.0000795200000000, -0.0000277600000000, -0.0004927000000000 ]  - [  -0.0004886100000000,  0.0003885900000000, -0.0007677000000000 ]  - [   0.0009170900000000,  0.0006518500000000, -0.0003837500000000 ]  - [  -0.0005777600000000,  0.0000675600000000,  0.0004973900000000 ]  - [  -0.0009982300000000, -0.0006330900000000, -0.0025866000000000 ]  - [   0.0007990100000000, -0.0012566300000000, -0.0002124700000000 ]  - [  -0.0030622400000000,  0.0045322200000000, -0.0016412100000000 ]  - [   0.0038778300000000, -0.0051030400000000,  0.0033783400000000 ]  - [  -0.0004978600000000, -0.0000686400000000,  0.0006959600000000 ]  - [   0.0014522500000000,  0.0014860200000000, -0.0015367100000000 ]  - [  -0.0020449200000000, -0.0002850000000000, -0.0021636300000000 ]  - [   0.0004237000000000,  0.0007280300000000, -0.0009482400000000 ]  - [  -0.0011157200000000, -0.0012911300000000,  0.0003315400000000 ]  - [   0.0071939400000000, -0.0387576700000000,  0.0133546900000000 ]  - [   0.0006274900000000, -0.0021727700000000, -0.0012962100000000 ]  - [   0.0007097800000000,  0.0088595700000000, -0.0035234700000000 ]  - [   0.0003524600000000,  0.0055859200000000,  0.0015573500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0224243500000000,  0.0510749500000000, -0.1021796600000000 ]  - [  -0.0032239600000000,  0.0017157500000000, -0.0104553700000000 ]  - [   0.0035500000000000, -0.0012156000000000, -0.0104577400000000 ]  - [  -0.0006638100000000, -0.0018102400000000, -0.0022603800000000 ]  - [   0.0000191600000000, -0.0003266400000000, -0.0050582900000000 ]  - [  -0.0010969000000000,  0.0013243500000000, -0.0024023900000000 ]  - [   0.0029856100000000, -0.0071187500000000,  0.0019998200000000 ]  - [  -0.0008682500000000, -0.0022143300000000, -0.0009245300000000 ]  - [   0.0005557900000000, -0.0012292700000000, -0.0009267600000000 ]  - [  -0.0044700600000000, -0.0003497600000000, -0.0011085100000000 ]  - [  -0.0021072200000000, -0.0007200100000000, -0.0013677900000000 ]  - [   0.0005992400000000, -0.0002771300000000, -0.0007898300000000 ]  - [  -0.0003982500000000, -0.0016049500000000,  0.0013600200000000 ]  - [   0.0012854200000000, -0.0004060800000000,  0.0015078700000000 ]  - [   0.0010896500000000, -0.0021066500000000,  0.0030879300000000 ]  - [   0.0011661100000000,  0.0037969800000000,  0.0110923900000000 ]  - [   0.0008464500000000,  0.0008651200000000,  0.0022915900000000 ]  - [   0.0001438300000000,  0.0010245300000000,  0.0016063000000000 ]  - [  -0.0004651800000000, -0.0007996000000000,  0.0023060200000000 ]  - [   0.0011169800000000,  0.0000814700000000,  0.0021760300000000 ]  - [  -0.0006307000000000,  0.0006395500000000,  0.0021784300000000 ]  - [   0.0010822300000000,  0.0016510800000000,  0.0036216800000000 ]  - [   0.0011685700000000, -0.0009360400000000,  0.0038007900000000 ]  - [  -0.0014138100000000,  0.0008998800000000,  0.0039580600000000 ]  - [   0.0001373600000000, -0.0009906800000000,  0.0013673200000000 ]  - [   0.0025973200000000,  0.0002424700000000,  0.0030803000000000 ]  - [  -0.0011354200000000,  0.0006172700000000,  0.0015114500000000 ]  - [  -0.0000872600000000,  0.0003211100000000,  0.0010708200000000 ]  - [  -0.0002340100000000, -0.0000853200000000,  0.0010862100000000 ]  - [  -0.0004567400000000,  0.0008374700000000,  0.0020249600000000 ]  - [  -0.0055107200000000, -0.0138025300000000,  0.0118802000000000 ]  - [   0.0095173200000000, -0.0105178700000000,  0.0142309000000000 ]  - [  -0.0152275500000000, -0.0008639300000000,  0.0142172700000000 ]  - [  -0.0007332000000000,  0.0010119500000000, -0.0010880700000000 ]  - [   0.0000442300000000,  0.0003229300000000, -0.0013537300000000 ]  - [  -0.0006666600000000,  0.0007603700000000, -0.0007792900000000 ]  - [  -0.0001490700000000, -0.0000444000000000,  0.0007358600000000 ]  - [   0.0003512700000000,  0.0000812800000000, -0.0008542500000000 ]  - [  -0.0003931700000000, -0.0007603700000000,  0.0039001900000000 ]  - [   0.0000131900000000,  0.0001196700000000, -0.0027972500000000 ]  - [  -0.0000575200000000,  0.0000703200000000, -0.0011737200000000 ]  - [   0.0000328200000000,  0.0004670900000000,  0.0015827400000000 ]  - [  -0.0008742900000000,  0.0004877200000000,  0.0011332000000000 ]  - [  -0.0003243300000000, -0.0002210800000000,  0.0069700300000000 ]  - [   0.0002461300000000, -0.0002315200000000,  0.0012443900000000 ]  - [   0.0004648100000000, -0.0024959200000000,  0.0080580900000000 ]  - [  -0.0035042000000000, -0.0002705700000000,  0.0092828600000000 ]  - [   0.0008044200000000,  0.0020282300000000,  0.0036479600000000 ]  - [   0.0008142500000000,  0.0005037400000000, -0.0037643900000000 ]  - [  -0.0003463400000000,  0.0003293300000000, -0.0022760000000000 ]  - [  -0.0001186000000000, -0.0004432100000000, -0.0021308300000000 ]  - [   0.0007738600000000,  0.0003753000000000, -0.0013886400000000 ]  - [   0.0014273900000000, -0.0007941200000000, -0.0020886700000000 ]  - [  -0.0025793500000000,  0.0006699100000000, -0.0035074400000000 ]  - [   0.0033484600000000,  0.0003328900000000,  0.0012705000000000 ]  - [  -0.0012614400000000,  0.0028657800000000,  0.0013499600000000 ]  - [  -0.0004181900000000, -0.0019025100000000,  0.0084924400000000 ]  - [   0.0011113400000000, -0.0018905100000000, -0.0032118000000000 ]  - [   0.0003788700000000,  0.0008146300000000, -0.0024664700000000 ]  - [  -0.0019383300000000,  0.0001346700000000, -0.0030667900000000 ]  - [  -0.0007332000000000, -0.0002596800000000, -0.0050262000000000 ]  - [   0.0030167400000000,  0.0011359000000000,  0.0057338100000000 ]  - [  -0.0083009000000000, -0.0207071300000000,  0.0439253800000000 ]  - [  -0.0030677000000000, -0.0050287700000000, -0.0105052300000000 ]  - [  -0.0003351300000000,  0.0059830900000000, -0.0027075500000000 ]  - [   0.0006782900000000, -0.0011615700000000, -0.0006662000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0228418800000000, -0.0526887500000000,  0.1030654200000000 ]  - [   0.0031237500000000, -0.0018081800000000,  0.0104762800000000 ]  - [  -0.0035514900000000,  0.0010935100000000,  0.0104737900000000 ]  - [   0.0006375600000000,  0.0018061400000000,  0.0022570700000000 ]  - [   0.0000222000000000,  0.0003446400000000,  0.0050578300000000 ]  - [   0.0010942500000000, -0.0013193000000000,  0.0024083400000000 ]  - [  -0.0029687300000000,  0.0071068400000000, -0.0020217500000000 ]  - [   0.0008643800000000,  0.0021927500000000,  0.0009209200000000 ]  - [  -0.0005444500000000,  0.0012233100000000,  0.0009197900000000 ]  - [   0.0044504800000000,  0.0003453700000000,  0.0010896900000000 ]  - [   0.0020814100000000,  0.0007116800000000,  0.0013471500000000 ]  - [  -0.0006015600000000,  0.0002805900000000,  0.0007711500000000 ]  - [   0.0004023900000000,  0.0015982100000000, -0.0013672400000000 ]  - [  -0.0012782200000000,  0.0004110400000000, -0.0015164400000000 ]  - [  -0.0010849700000000,  0.0020933700000000, -0.0030840100000000 ]  - [  -0.0011743000000000, -0.0037773900000000, -0.0110159800000000 ]  - [  -0.0008283800000000, -0.0008666000000000, -0.0022915200000000 ]  - [  -0.0001459900000000, -0.0010007000000000, -0.0016134900000000 ]  - [   0.0004582900000000,  0.0008038700000000, -0.0023062600000000 ]  - [  -0.0011222200000000, -0.0000880000000000, -0.0021740700000000 ]  - [   0.0006340400000000, -0.0006384000000000, -0.0021724800000000 ]  - [  -0.0010728700000000, -0.0016453600000000, -0.0036244300000000 ]  - [  -0.0011657600000000,  0.0009285400000000, -0.0038057500000000 ]  - [   0.0014074700000000, -0.0008888700000000, -0.0039639600000000 ]  - [  -0.0001398500000000,  0.0009780500000000, -0.0013609500000000 ]  - [  -0.0026035700000000, -0.0002376600000000, -0.0030913900000000 ]  - [   0.0011309300000000, -0.0006185900000000, -0.0015134800000000 ]  - [   0.0000878600000000, -0.0003136300000000, -0.0010542800000000 ]  - [   0.0002305100000000,  0.0000855400000000, -0.0010709900000000 ]  - [   0.0004674800000000, -0.0008430700000000, -0.0020164800000000 ]  - [   0.0055013000000000,  0.0137776000000000, -0.0119600800000000 ]  - [  -0.0096442900000000,  0.0106593500000000, -0.0143591600000000 ]  - [   0.0154434800000000,  0.0008711800000000, -0.0143718600000000 ]  - [   0.0007475700000000, -0.0009978000000000,  0.0011106600000000 ]  - [  -0.0000422500000000, -0.0003298900000000,  0.0013618700000000 ]  - [   0.0006582300000000, -0.0007622900000000,  0.0007846500000000 ]  - [   0.0001477700000000,  0.0000426500000000, -0.0007445700000000 ]  - [  -0.0003455300000000, -0.0000779400000000,  0.0008552500000000 ]  - [   0.0004952500000000,  0.0010183000000000, -0.0036001600000000 ]  - [  -0.0000118900000000, -0.0001200600000000,  0.0027964900000000 ]  - [   0.0000558300000000, -0.0000727400000000,  0.0011726800000000 ]  - [  -0.0000305300000000, -0.0004665000000000, -0.0015822400000000 ]  - [   0.0008596500000000, -0.0004683400000000, -0.0011043200000000 ]  - [   0.0000634800000000, -0.0001238700000000, -0.0065889300000000 ]  - [  -0.0002207200000000,  0.0002298500000000, -0.0012169200000000 ]  - [  -0.0005262000000000,  0.0025077300000000, -0.0080403800000000 ]  - [   0.0035561300000000,  0.0002526000000000, -0.0092483600000000 ]  - [  -0.0008111100000000, -0.0020076800000000, -0.0036369100000000 ]  - [  -0.0008201800000000, -0.0004797700000000,  0.0037524700000000 ]  - [   0.0003327800000000, -0.0003484100000000,  0.0022756200000000 ]  - [   0.0001385100000000,  0.0004407800000000,  0.0021281000000000 ]  - [  -0.0007627400000000, -0.0003880500000000,  0.0013904900000000 ]  - [  -0.0014011200000000,  0.0008009400000000,  0.0020883000000000 ]  - [   0.0025396600000000, -0.0006563400000000,  0.0034979000000000 ]  - [  -0.0033563900000000, -0.0003243900000000, -0.0012981100000000 ]  - [   0.0012389700000000, -0.0028828300000000, -0.0013771600000000 ]  - [   0.0002442200000000,  0.0016148700000000, -0.0089670100000000 ]  - [  -0.0011057500000000,  0.0018880800000000,  0.0032120100000000 ]  - [  -0.0003628000000000, -0.0007899700000000,  0.0024513800000000 ]  - [   0.0019278600000000, -0.0001375700000000,  0.0030652600000000 ]  - [   0.0007424200000000,  0.0002665500000000,  0.0050230300000000 ]  - [  -0.0030039500000000, -0.0011222600000000, -0.0056788700000000 ]  - [   0.0091040100000000,  0.0227380200000000, -0.0447522500000000 ]  - [   0.0030424400000000,  0.0049899500000000,  0.0104863200000000 ]  - [   0.0003186700000000, -0.0059701700000000,  0.0027187900000000 ]  - [  -0.0006815500000000,  0.0011594400000000,  0.0006335100000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009826000000000, -0.0004375300000000, -0.0001549100000000 ]  - [  -0.0005224000000000,  0.0003603800000000,  0.0001046300000000 ]  - [  -0.0000664700000000, -0.0004455400000000,  0.0000300800000000 ]  - [   0.0051946300000000,  0.0017945200000000,  0.0005966800000000 ]  - [   0.0074935700000000, -0.0004000200000000, -0.0008640800000000 ]  - [   0.0043899700000000, -0.0011423100000000,  0.0004581700000000 ]  - [  -0.0003844800000000, -0.0002065300000000,  0.0003476300000000 ]  - [  -0.0002482200000000,  0.0001793000000000, -0.0002414200000000 ]  - [   0.0000276000000000, -0.0001311400000000, -0.0001037500000000 ]  - [   0.0010992000000000, -0.0002279500000000, -0.0000965300000000 ]  - [   0.0012159100000000,  0.0001700600000000, -0.0000115300000000 ]  - [   0.0007950300000000,  0.0000829300000000,  0.0001108000000000 ]  - [   0.0000341100000000,  0.0000499200000000, -0.0000587500000000 ]  - [  -0.0001594600000000, -0.0000058300000000, -0.0000368800000000 ]  - [  -0.0001185500000000,  0.0001863400000000,  0.0000888100000000 ]  - [  -0.0001185500000000, -0.0001863400000000, -0.0000888100000000 ]  - [  -0.0001594600000000,  0.0000058300000000,  0.0000368800000000 ]  - [   0.0000341100000000, -0.0000499200000000,  0.0000587500000000 ]  - [   0.0012159100000000, -0.0001700600000000,  0.0000115300000000 ]  - [   0.0007950300000000, -0.0000829300000000, -0.0001108000000000 ]  - [   0.0010992000000000,  0.0002279500000000,  0.0000965300000000 ]  - [   0.0000276000000000,  0.0001311400000000,  0.0001037500000000 ]  - [  -0.0003844800000000,  0.0002065300000000, -0.0003476300000000 ]  - [  -0.0002482200000000, -0.0001793000000000,  0.0002414200000000 ]  - [   0.0043899700000000,  0.0011423100000000, -0.0004581700000000 ]  - [   0.0074935700000000,  0.0004000200000000,  0.0008640800000000 ]  - [   0.0051946300000000, -0.0017945200000000, -0.0005966800000000 ]  - [  -0.0000664700000000,  0.0004455400000000, -0.0000300800000000 ]  - [  -0.0005224000000000, -0.0003603800000000, -0.0001046300000000 ]  - [  -0.0009826000000000,  0.0004375300000000,  0.0001549100000000 ]  - [   0.0000749500000000,  0.0003573600000000,  0.0000347000000000 ]  - [  -0.0017898800000000, -0.0013325000000000, -0.0004191000000000 ]  - [  -0.0022980900000000,  0.0011190700000000,  0.0003876800000000 ]  - [  -0.0022980900000000, -0.0011190700000000, -0.0003876800000000 ]  - [   0.0000749500000000, -0.0003573600000000, -0.0000347000000000 ]  - [  -0.0017898800000000,  0.0013325000000000,  0.0004191000000000 ]  - [  -0.0296092500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000514400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000228100000000,  0.0000387900000000,  0.0000013800000000 ]  - [   0.0002156800000000,  0.0000008300000000, -0.0000019600000000 ]  - [   0.0000228100000000, -0.0000387900000000, -0.0000013800000000 ]  - [   0.0002156800000000, -0.0000008300000000,  0.0000019600000000 ]  - [   0.0001102700000000,  0.0003366000000000, -0.0005266900000000 ]  - [   0.0005812800000000, -0.0000295200000000,  0.0008703400000000 ]  - [   0.0000567700000000, -0.0002597400000000, -0.0003403500000000 ]  - [   0.0000751200000000,  0.0024705700000000,  0.0018934100000000 ]  - [   0.0040871300000000, -0.0003024300000000, -0.0033186000000000 ]  - [  -0.0003339400000000, -0.0023987800000000,  0.0014638100000000 ]  - [   0.0005812800000000,  0.0000295200000000, -0.0008703400000000 ]  - [   0.0001102700000000, -0.0003366000000000,  0.0005266900000000 ]  - [   0.0000567700000000,  0.0002597400000000,  0.0003403500000000 ]  - [  -0.0000087300000000, -0.0001008600000000,  0.0000214900000000 ]  - [  -0.0000087300000000,  0.0001008600000000, -0.0000214900000000 ]  - [   0.0001490100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010314000000000, -0.0050706700000000, -0.0000814700000000 ]  - [   0.0010314000000000,  0.0050706700000000,  0.0000814700000000 ]  - [   0.0099093000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0040871300000000,  0.0003024300000000,  0.0033186000000000 ]  - [   0.0000751200000000, -0.0024705700000000, -0.0018934100000000 ]  - [  -0.0003339400000000,  0.0023987800000000, -0.0014638100000000 ]  - [  -0.0124022900000000,  0.0000226500000000,  0.0000679100000000 ]  - [  -0.0124022900000000, -0.0000226500000000, -0.0000679100000000 ]  - [   0.0021922000000000, -0.0003246300000000,  0.0000127900000000 ]  - [   0.0004186600000000, -0.0000459500000000, -0.0000010100000000 ]  - [   0.0004186600000000,  0.0000459500000000,  0.0000010100000000 ]  - [   0.0021922000000000,  0.0003246300000000, -0.0000127900000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010128600000000,  0.0004284300000000,  0.0001413900000000 ]  - [   0.0005368900000000, -0.0003629700000000, -0.0001195200000000 ]  - [   0.0000853600000000,  0.0004356900000000, -0.0000424600000000 ]  - [  -0.0052218100000000, -0.0018526700000000, -0.0005015400000000 ]  - [  -0.0072475000000000,  0.0003667900000000,  0.0011203200000000 ]  - [  -0.0043653900000000,  0.0011596300000000, -0.0004314000000000 ]  - [   0.0004063700000000,  0.0002158700000000, -0.0003484400000000 ]  - [   0.0002683200000000, -0.0001856600000000,  0.0002444100000000 ]  - [  -0.0000010600000000,  0.0001357500000000,  0.0001067100000000 ]  - [  -0.0010669100000000,  0.0002310000000000,  0.0000978800000000 ]  - [  -0.0011925800000000, -0.0001822000000000,  0.0000131900000000 ]  - [  -0.0007872800000000, -0.0000740900000000, -0.0001095100000000 ]  - [  -0.0000064800000000, -0.0000522700000000,  0.0000547300000000 ]  - [   0.0001791100000000,  0.0000116600000000,  0.0000299700000000 ]  - [   0.0001352200000000, -0.0001856500000000, -0.0000923700000000 ]  - [   0.0001352200000000,  0.0001856500000000,  0.0000923700000000 ]  - [   0.0001791100000000, -0.0000116600000000, -0.0000299700000000 ]  - [  -0.0000064800000000,  0.0000522700000000, -0.0000547300000000 ]  - [  -0.0011925800000000,  0.0001822000000000, -0.0000131900000000 ]  - [  -0.0007872800000000,  0.0000740900000000,  0.0001095100000000 ]  - [  -0.0010669100000000, -0.0002310000000000, -0.0000978800000000 ]  - [  -0.0000010600000000, -0.0001357500000000, -0.0001067100000000 ]  - [   0.0004063700000000, -0.0002158700000000,  0.0003484400000000 ]  - [   0.0002683200000000,  0.0001856600000000, -0.0002444100000000 ]  - [  -0.0043653900000000, -0.0011596300000000,  0.0004314000000000 ]  - [  -0.0072475000000000, -0.0003667900000000, -0.0011203200000000 ]  - [  -0.0052218100000000,  0.0018526700000000,  0.0005015400000000 ]  - [   0.0000853600000000, -0.0004356900000000,  0.0000424600000000 ]  - [   0.0005368900000000,  0.0003629700000000,  0.0001195200000000 ]  - [   0.0010128600000000, -0.0004284300000000, -0.0001413900000000 ]  - [  -0.0000545300000000, -0.0003635700000000, -0.0000289900000000 ]  - [   0.0017997300000000,  0.0013083900000000,  0.0004209900000000 ]  - [   0.0023426800000000, -0.0011407800000000, -0.0003879700000000 ]  - [   0.0023426800000000,  0.0011407800000000,  0.0003879700000000 ]  - [  -0.0000545300000000,  0.0003635700000000,  0.0000289900000000 ]  - [   0.0017997300000000, -0.0013083900000000, -0.0004209900000000 ]  - [   0.0291408800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000234800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000550700000000, -0.0000388600000000,  0.0000013700000000 ]  - [  -0.0002436000000000,  0.0000009200000000, -0.0000019200000000 ]  - [  -0.0000550700000000,  0.0000388600000000, -0.0000013700000000 ]  - [  -0.0002436000000000, -0.0000009200000000,  0.0000019200000000 ]  - [  -0.0001375100000000, -0.0003187500000000,  0.0005283700000000 ]  - [  -0.0006143800000000,  0.0000138600000000, -0.0008666400000000 ]  - [  -0.0000614900000000,  0.0002551600000000,  0.0003418100000000 ]  - [  -0.0001032900000000, -0.0024768500000000, -0.0018784500000000 ]  - [  -0.0041360400000000,  0.0003141200000000,  0.0033736600000000 ]  - [   0.0002844700000000,  0.0024021600000000, -0.0014558300000000 ]  - [  -0.0006143800000000, -0.0000138600000000,  0.0008666400000000 ]  - [  -0.0001375100000000,  0.0003187500000000, -0.0005283700000000 ]  - [  -0.0000614900000000, -0.0002551600000000, -0.0003418100000000 ]  - [  -0.0000077000000000,  0.0000923600000000, -0.0000205600000000 ]  - [  -0.0000077000000000, -0.0000923600000000,  0.0000205600000000 ]  - [  -0.0001823900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010392000000000,  0.0051027000000000,  0.0000804100000000 ]  - [  -0.0010392000000000, -0.0051027000000000, -0.0000804100000000 ]  - [  -0.0097844800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0041360400000000, -0.0003141200000000, -0.0033736600000000 ]  - [  -0.0001032900000000,  0.0024768500000000,  0.0018784500000000 ]  - [   0.0002844700000000, -0.0024021600000000,  0.0014558300000000 ]  - [   0.0123671700000000, -0.0000204500000000,  0.0000690500000000 ]  - [   0.0123671700000000,  0.0000204500000000, -0.0000690500000000 ]  - [  -0.0022235500000000,  0.0003556400000000,  0.0000127500000000 ]  - [  -0.0004515500000000,  0.0000530000000000, -0.0000001300000000 ]  - [  -0.0004515500000000, -0.0000530000000000,  0.0000001300000000 ]  - [  -0.0022235500000000, -0.0003556400000000, -0.0000127500000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0005036400000000, -0.0006499100000000,  0.0007385400000000 ]  - [   0.0008146500000000, -0.0001112100000000,  0.0007385400000000 ]  - [  -0.0003110200000000,  0.0007611100000000,  0.0007385400000000 ]  - [  -0.0002912700000000, -0.0005676000000000,  0.0038788200000000 ]  - [   0.0006371900000000,  0.0000315600000000,  0.0038788200000000 ]  - [  -0.0003459200000000,  0.0005360400000000,  0.0038788200000000 ]  - [   0.0003677600000000,  0.0004972100000000, -0.0008521600000000 ]  - [  -0.0006144800000000,  0.0000698900000000, -0.0008521600000000 ]  - [   0.0002467100000000, -0.0005671000000000, -0.0008521600000000 ]  - [  -0.0012252800000000, -0.0015811600000000, -0.0028014900000000 ]  - [  -0.0007566800000000,  0.0018517000000000, -0.0028014900000000 ]  - [   0.0019819600000000, -0.0002705400000000, -0.0028014900000000 ]  - [   0.0001830600000000,  0.0005183200000000, -0.0011752200000000 ]  - [  -0.0005404100000000, -0.0001006300000000, -0.0011752200000000 ]  - [   0.0003573500000000, -0.0004177000000000, -0.0011752200000000 ]  - [  -0.0003630200000000, -0.0004163300000000, -0.0011717800000000 ]  - [   0.0005420600000000, -0.0001062200000000, -0.0011717800000000 ]  - [  -0.0001790400000000,  0.0005225500000000, -0.0011717800000000 ]  - [   0.0007510400000000,  0.0018491700000000, -0.0027925900000000 ]  - [  -0.0019769500000000, -0.0002741700000000, -0.0027925900000000 ]  - [   0.0012259100000000, -0.0015750000000000, -0.0027925900000000 ]  - [  -0.0002424900000000, -0.0005682000000000, -0.0008578100000000 ]  - [  -0.0003708300000000,  0.0004941000000000, -0.0008578100000000 ]  - [   0.0006133200000000,  0.0000741000000000, -0.0008578100000000 ]  - [   0.0002720500000000,  0.0003385300000000,  0.0036213300000000 ]  - [  -0.0004292000000000,  0.0000663300000000,  0.0036213300000000 ]  - [   0.0001571600000000, -0.0004048700000000,  0.0036213300000000 ]  - [   0.0003062800000000,  0.0007621200000000,  0.0007443700000000 ]  - [  -0.0008131500000000, -0.0001158200000000,  0.0007443700000000 ]  - [   0.0005068800000000, -0.0006463000000000,  0.0007443700000000 ]  - [  -0.0001497000000000, -0.0006717200000000,  0.0015853800000000 ]  - [   0.0006565800000000,  0.0002062200000000,  0.0015853800000000 ]  - [  -0.0005068800000000,  0.0004655000000000,  0.0015853800000000 ]  - [   0.0005104800000000,  0.0004641100000000,  0.0015817400000000 ]  - [   0.0001466900000000, -0.0006741400000000,  0.0015817400000000 ]  - [  -0.0006571700000000,  0.0002100300000000,  0.0015817400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0823633100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011699300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003223700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002625400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003218800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002646500000000 ]  - [  -0.0006161300000000, -0.0011104200000000,  0.0014454400000000 ]  - [   0.0012697100000000,  0.0000216300000000,  0.0014454400000000 ]  - [  -0.0006535900000000,  0.0010887900000000,  0.0014454400000000 ]  - [   0.0019924100000000,  0.0030770400000000,  0.0000848900000000 ]  - [  -0.0036610000000000,  0.0001869600000000,  0.0000848900000000 ]  - [   0.0016685900000000, -0.0032640000000000,  0.0000848900000000 ]  - [  -0.0012764600000000,  0.0000381600000000,  0.0014455800000000 ]  - [   0.0006051800000000, -0.0011245200000000,  0.0014455800000000 ]  - [   0.0006712800000000,  0.0010863600000000,  0.0014455800000000 ]  - [  -0.0001481600000000, -0.0000977100000000,  0.0016273900000000 ]  - [   0.0001587000000000, -0.0000794600000000,  0.0016273900000000 ]  - [  -0.0000105400000000,  0.0001771700000000,  0.0016273900000000 ]  - [   0.0001121500000000,  0.0000573600000000, -0.0038380700000000 ]  - [  -0.0001057500000000,  0.0000684500000000, -0.0038380700000000 ]  - [  -0.0000064000000000, -0.0001258000000000, -0.0038380700000000 ]  - [   0.0036601100000000,  0.0001721400000000,  0.0000932300000000 ]  - [  -0.0019791400000000,  0.0030836800000000,  0.0000932300000000 ]  - [  -0.0016809800000000, -0.0032558200000000,  0.0000932300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0357759000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0364113000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030359400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024477300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024409000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030363300000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001914300000000,  0.0025512600000000, -0.0008633400000000 ]  - [  -0.0012863400000000,  0.0011508200000000,  0.0000905500000000 ]  - [   0.0062839800000000,  0.0007459300000000, -0.0000051000000000 ]  - [   0.0063625200000000, -0.0011872000000000,  0.0013395600000000 ]  - [  -0.0019234200000000, -0.0019287000000000,  0.0019669100000000 ]  - [   0.0007714900000000, -0.0039606800000000,  0.0012584700000000 ]  - [  -0.0073965000000000,  0.0060565600000000,  0.0005052900000000 ]  - [  -0.0088836800000000, -0.0002205400000000, -0.0021467700000000 ]  - [   0.0004199400000000, -0.0010017100000000,  0.0015395100000000 ]  - [  -0.0015284200000000, -0.0056804200000000, -0.0013357400000000 ]  - [   0.0048877900000000, -0.0056230700000000,  0.0035590400000000 ]  - [   0.0075260700000000, -0.0017889200000000, -0.0019203300000000 ]  - [  -0.0041110700000000, -0.0032827500000000,  0.0033439400000000 ]  - [   0.0040050100000000,  0.0004687100000000,  0.0017688300000000 ]  - [  -0.0054507000000000,  0.0027917200000000,  0.0031030100000000 ]  - [   0.0006369000000000,  0.0024215300000000,  0.0003137800000000 ]  - [  -0.0018862500000000,  0.0014989600000000, -0.0000220100000000 ]  - [   0.0084673400000000, -0.0000057400000000,  0.0003084200000000 ]  - [  -0.0002119900000000, -0.0011707500000000,  0.0007651600000000 ]  - [   0.0015742700000000,  0.0002851600000000,  0.0007063300000000 ]  - [  -0.0003338900000000, -0.0007979200000000, -0.0014044800000000 ]  - [  -0.0007621700000000,  0.0003136000000000, -0.0010908200000000 ]  - [  -0.0004349100000000,  0.0019094300000000, -0.0003715900000000 ]  - [   0.0016009600000000,  0.0005853400000000, -0.0010885100000000 ]  - [   0.0000948500000000, -0.0002397100000000,  0.0008072200000000 ]  - [   0.0001014200000000, -0.0001582900000000,  0.0004402400000000 ]  - [   0.0000544800000000, -0.0001867600000000,  0.0004563400000000 ]  - [  -0.0005805300000000, -0.0002262300000000,  0.0003230600000000 ]  - [   0.0003709200000000, -0.0001786000000000,  0.0008369400000000 ]  - [  -0.0004042800000000,  0.0003305700000000,  0.0003404900000000 ]  - [  -0.0003171400000000,  0.0003995700000000,  0.0011093900000000 ]  - [   0.0010133400000000,  0.0008660900000000,  0.0008485300000000 ]  - [  -0.0005446500000000,  0.0013515400000000,  0.0005084600000000 ]  - [   0.0000461800000000,  0.0003655700000000, -0.0018500500000000 ]  - [  -0.0003301200000000, -0.0004796900000000, -0.0014150000000000 ]  - [  -0.0019273700000000,  0.0000771600000000,  0.0007193100000000 ]  - [   0.0001222400000000,  0.0002919500000000, -0.0006093200000000 ]  - [   0.0000845600000000,  0.0026357000000000,  0.0019872700000000 ]  - [   0.0010237400000000, -0.0050970600000000,  0.0001077000000000 ]  - [   0.0000007100000000, -0.0000947600000000, -0.0001519100000000 ]  - [   0.0005974900000000,  0.0000514600000000, -0.0012692900000000 ]  - [   0.0040950200000000,  0.0001516700000000,  0.0036390900000000 ]  - [  -0.0787603900000000, -0.0078848500000000,  0.0121880200000000 ]  - [   0.0050142800000000, -0.0013722100000000,  0.0006487800000000 ]  - [   0.0027767800000000,  0.0026650900000000,  0.0008104400000000 ]  - [  -0.0017425900000000,  0.0049582900000000,  0.0037023800000000 ]  - [  -0.0020152700000000, -0.0058231900000000,  0.0044277100000000 ]  - [   0.0105504200000000, -0.0014234400000000, -0.0072393900000000 ]  - [   0.0007130000000000, -0.0008387600000000, -0.0007155200000000 ]  - [   0.0009323500000000,  0.0006335900000000, -0.0007924000000000 ]  - [  -0.0039610500000000,  0.0007941200000000,  0.0001270700000000 ]  - [   0.0093880700000000, -0.0014639800000000,  0.0052046000000000 ]  - [  -0.0020179700000000,  0.0066645600000000, -0.0040996600000000 ]  - [  -0.0002916500000000, -0.0076537100000000, -0.0039574500000000 ]  - [   0.0007096100000000,  0.0004854600000000, -0.0003712500000000 ]  - [  -0.0028329100000000, -0.0001443200000000, -0.0006383400000000 ]  - [   0.0008079700000000, -0.0005581700000000, -0.0002642000000000 ]  - [  -0.0002738400000000, -0.0006066300000000, -0.0005007700000000 ]  - [   0.0006388200000000,  0.0002159300000000, -0.0002969600000000 ]  - [  -0.0005684400000000,  0.0004821800000000, -0.0003284800000000 ]  - [  -0.0010000900000000,  0.0014316100000000, -0.0006047200000000 ]  - [   0.0010433900000000,  0.0288009500000000, -0.0098318900000000 ]  - [   0.0021604600000000, -0.0061313600000000, -0.0038063200000000 ]  - [   0.0022421200000000, -0.0084431200000000,  0.0053081900000000 ]  - [   0.0431038100000000,  0.0011630900000000, -0.0166335700000000 ]  - [   0.0017467700000000,  0.0000580600000000,  0.0005151300000000 ]- atom:   43  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001975200000000, -0.0025833400000000,  0.0008697400000000 ]  - [   0.0013123600000000, -0.0011378300000000, -0.0000774200000000 ]  - [  -0.0062500300000000, -0.0008576500000000, -0.0001161400000000 ]  - [  -0.0062863600000000,  0.0012661800000000, -0.0013794800000000 ]  - [   0.0019440900000000,  0.0019128200000000, -0.0019564900000000 ]  - [  -0.0007592500000000,  0.0039725800000000, -0.0012441200000000 ]  - [   0.0072513200000000, -0.0060623300000000, -0.0004875400000000 ]  - [   0.0088846900000000,  0.0002272900000000,  0.0021533800000000 ]  - [  -0.0009151400000000,  0.0007473100000000, -0.0015393500000000 ]  - [   0.0015460000000000,  0.0056973900000000,  0.0013518100000000 ]  - [  -0.0042320700000000,  0.0059120600000000, -0.0035009600000000 ]  - [  -0.0075112100000000,  0.0018371100000000,  0.0019153200000000 ]  - [   0.0041239900000000,  0.0032981700000000, -0.0033616400000000 ]  - [  -0.0041829400000000, -0.0004708400000000, -0.0016154600000000 ]  - [   0.0054578000000000, -0.0028063800000000, -0.0031266900000000 ]  - [  -0.0006478500000000, -0.0024394100000000, -0.0003176800000000 ]  - [   0.0018999300000000, -0.0015030900000000,  0.0000189800000000 ]  - [  -0.0083467400000000, -0.0001725600000000, -0.0000767400000000 ]  - [   0.0002100900000000,  0.0011808100000000, -0.0007719900000000 ]  - [  -0.0015830900000000, -0.0002878200000000, -0.0007029000000000 ]  - [   0.0003463900000000,  0.0007933100000000,  0.0013911300000000 ]  - [   0.0007786200000000, -0.0003121400000000,  0.0010819300000000 ]  - [   0.0004412200000000, -0.0019352800000000,  0.0003731700000000 ]  - [  -0.0016087700000000, -0.0005841100000000,  0.0010775800000000 ]  - [  -0.0000907100000000,  0.0002406700000000, -0.0008234500000000 ]  - [  -0.0000965900000000,  0.0001615700000000, -0.0004508800000000 ]  - [  -0.0000600500000000,  0.0001850900000000, -0.0004675400000000 ]  - [   0.0005808700000000,  0.0002333500000000, -0.0003148500000000 ]  - [  -0.0003781400000000,  0.0001766900000000, -0.0008313100000000 ]  - [   0.0004072400000000, -0.0003257500000000, -0.0003368600000000 ]  - [   0.0003293800000000, -0.0003887400000000, -0.0011100700000000 ]  - [  -0.0010225400000000, -0.0008838600000000, -0.0008518700000000 ]  - [   0.0005621400000000, -0.0013698100000000, -0.0005113200000000 ]  - [  -0.0000458400000000, -0.0003643700000000,  0.0018586300000000 ]  - [   0.0003241900000000,  0.0004827400000000,  0.0014159800000000 ]  - [   0.0019188500000000, -0.0000701700000000, -0.0007090600000000 ]  - [  -0.0001273600000000, -0.0002981400000000,  0.0006124600000000 ]  - [  -0.0000963300000000, -0.0026256800000000, -0.0019846600000000 ]  - [  -0.0010489600000000,  0.0050763800000000, -0.0001096300000000 ]  - [   0.0000003200000000,  0.0000979000000000,  0.0001536600000000 ]  - [  -0.0006000300000000, -0.0000555600000000,  0.0012764700000000 ]  - [  -0.0041305000000000, -0.0001517800000000, -0.0036821600000000 ]  - [   0.0791502600000000,  0.0079374000000000, -0.0126132600000000 ]  - [  -0.0050355300000000,  0.0013813500000000, -0.0006524700000000 ]  - [  -0.0027667700000000, -0.0026909000000000, -0.0008129100000000 ]  - [   0.0017865000000000, -0.0049814200000000, -0.0037133400000000 ]  - [   0.0020653000000000,  0.0058508500000000, -0.0044408000000000 ]  - [  -0.0105018500000000,  0.0014116300000000,  0.0071295500000000 ]  - [  -0.0007210900000000,  0.0008642000000000,  0.0007192900000000 ]  - [  -0.0009453900000000, -0.0006553000000000,  0.0007975500000000 ]  - [   0.0039818400000000, -0.0007951500000000, -0.0001586300000000 ]  - [  -0.0093140300000000,  0.0014314000000000, -0.0051256200000000 ]  - [   0.0020621400000000, -0.0066623800000000,  0.0041056400000000 ]  - [   0.0003077500000000,  0.0076818300000000,  0.0039752400000000 ]  - [  -0.0007230400000000, -0.0004768700000000,  0.0003706600000000 ]  - [   0.0028346100000000,  0.0001297800000000,  0.0006860500000000 ]  - [  -0.0007884200000000,  0.0005687600000000,  0.0002637800000000 ]  - [   0.0002844200000000,  0.0005917300000000,  0.0005025900000000 ]  - [  -0.0006331800000000, -0.0002019200000000,  0.0003000300000000 ]  - [   0.0005556400000000, -0.0004834000000000,  0.0003313000000000 ]  - [   0.0009872000000000, -0.0014332500000000,  0.0006220700000000 ]  - [  -0.0011580800000000, -0.0286832500000000,  0.0097258200000000 ]  - [  -0.0022286900000000,  0.0061982900000000,  0.0038497800000000 ]  - [  -0.0022677400000000,  0.0084829200000000, -0.0053233300000000 ]  - [  -0.0436941600000000, -0.0012147200000000,  0.0168998700000000 ]  - [  -0.0017341900000000, -0.0000643200000000, -0.0005308400000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002560400000000, -0.0031390300000000,  0.0011122200000000 ]  - [   0.0031476700000000, -0.0007711100000000,  0.0012246700000000 ]  - [   0.0011807900000000, -0.0002086300000000,  0.0065568000000000 ]  - [   0.0034834900000000,  0.0053310300000000,  0.0084836000000000 ]  - [   0.0016947400000000,  0.0007255700000000,  0.0012784600000000 ]  - [   0.0001631400000000,  0.0018198000000000,  0.0013588300000000 ]  - [  -0.0015166800000000, -0.0020370200000000,  0.0080589400000000 ]  - [   0.0029933100000000,  0.0002883600000000,  0.0036490700000000 ]  - [  -0.0006212700000000,  0.0032034100000000,  0.0092863400000000 ]  - [   0.0017616600000000,  0.0024578100000000,  0.0036437500000000 ]  - [   0.0024432000000000, -0.0021273300000000,  0.0092509000000000 ]  - [  -0.0025014400000000, -0.0002111500000000,  0.0080423100000000 ]  - [   0.0014724600000000,  0.0010840300000000,  0.0012955100000000 ]  - [   0.0060610800000000,  0.0003506700000000,  0.0089778400000000 ]  - [   0.0016419400000000, -0.0007540300000000,  0.0013744500000000 ]  - [   0.0009010100000000,  0.0031222900000000,  0.0012316700000000 ]  - [  -0.0028589300000000,  0.0013483800000000,  0.0011236000000000 ]  - [   0.0006858800000000,  0.0007591400000000,  0.0069990000000000 ]  - [   0.0002874100000000,  0.0006074500000000, -0.0013872700000000 ]  - [  -0.0016925800000000, -0.0020206600000000, -0.0035100800000000 ]  - [  -0.0005047200000000, -0.0012672700000000, -0.0020865300000000 ]  - [  -0.0021643000000000, -0.0003667500000000, -0.0030693900000000 ]  - [  -0.0009090300000000,  0.0022886100000000, -0.0024573900000000 ]  - [   0.0012927000000000,  0.0015618700000000, -0.0032196100000000 ]  - [   0.0005332300000000,  0.0010882000000000, -0.0037593600000000 ]  - [  -0.0010809300000000, -0.0002593100000000, -0.0021358500000000 ]  - [   0.0004864800000000, -0.0008699800000000, -0.0022822000000000 ]  - [  -0.0007640000000000, -0.0008036300000000, -0.0021227100000000 ]  - [   0.0012299100000000, -0.0000826100000000, -0.0037559800000000 ]  - [  -0.0005012400000000,  0.0008597500000000, -0.0022698800000000 ]  - [   0.0019878800000000,  0.0003550800000000, -0.0032076400000000 ]  - [  -0.0014041100000000, -0.0016868800000000, -0.0030634700000000 ]  - [   0.0015399100000000, -0.0019457400000000, -0.0024629400000000 ]  - [  -0.0025651000000000, -0.0004584700000000, -0.0034955900000000 ]  - [  -0.0013411900000000,  0.0002033200000000, -0.0020927900000000 ]  - [   0.0006736500000000, -0.0000493900000000, -0.0013969600000000 ]  - [  -0.0005266300000000, -0.0006970600000000,  0.0014460700000000 ]  - [   0.0018911000000000,  0.0027837900000000,  0.0000787200000000 ]  - [  -0.0000900200000000, -0.0000349900000000, -0.0038384100000000 ]  - [   0.0000224300000000,  0.0000128800000000,  0.0016273700000000 ]  - [  -0.0008731300000000, -0.0001098100000000,  0.0014440400000000 ]  - [   0.0033387200000000,  0.0002480200000000,  0.0000967600000000 ]  - [   0.0122637900000000,  0.0074006400000000, -0.0715181100000000 ]  - [  -0.0006560600000000,  0.0005481400000000, -0.0026298200000000 ]  - [   0.0001758400000000, -0.0008478300000000, -0.0026296900000000 ]  - [   0.0037040600000000,  0.0038026100000000, -0.0001640600000000 ]  - [   0.0040980900000000, -0.0059037100000000,  0.0005135200000000 ]  - [  -0.0083937500000000, -0.0002674800000000,  0.0005123300000000 ]  - [  -0.0003729800000000, -0.0006065000000000,  0.0013204500000000 ]  - [   0.0007907100000000,  0.0001475100000000,  0.0013414100000000 ]  - [   0.0008182900000000,  0.0002965100000000,  0.0125857700000000 ]  - [   0.0051844200000000,  0.0012928900000000, -0.0001927300000000 ]  - [  -0.0044431200000000, -0.0071479300000000,  0.0004763900000000 ]  - [  -0.0030998000000000,  0.0065304000000000,  0.0004746800000000 ]  - [  -0.0007228700000000, -0.0000093800000000,  0.0013310300000000 ]  - [   0.0006586700000000,  0.0005319900000000,  0.0124417000000000 ]  - [   0.0005386900000000,  0.0006129400000000,  0.0013511600000000 ]  - [  -0.0004993100000000, -0.0002953100000000,  0.0030959300000000 ]  - [   0.0003052100000000, -0.0002001600000000,  0.0025507900000000 ]  - [  -0.0000410900000000,  0.0003603100000000,  0.0025503200000000 ]  - [   0.0013389600000000,  0.0006177300000000,  0.0061369300000000 ]  - [  -0.0107930900000000, -0.0151300900000000, -0.0145892900000000 ]  - [  -0.0078171100000000,  0.0108308700000000,  0.0088208000000000 ]  - [   0.0054975000000000, -0.0122314700000000,  0.0088287700000000 ]  - [  -0.0184549800000000, -0.0017727600000000, -0.0147624800000000 ]  - [   0.0011774900000000,  0.0008415100000000,  0.0061273300000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0021572200000000, -0.0017412400000000, -0.0007393800000000 ]  - [  -0.0019930100000000,  0.0001757600000000,  0.0005944400000000 ]  - [  -0.0004213600000000, -0.0009295400000000,  0.0001333200000000 ]  - [   0.0021933600000000,  0.0005797300000000,  0.0028135600000000 ]  - [   0.0038753100000000,  0.0004108400000000, -0.0058581000000000 ]  - [   0.0028837200000000, -0.0009374100000000,  0.0030646200000000 ]  - [  -0.0021638200000000, -0.0017369200000000, -0.0007343200000000 ]  - [  -0.0019942500000000,  0.0001754200000000,  0.0006041500000000 ]  - [  -0.0004181400000000, -0.0009230900000000,  0.0001500800000000 ]  - [   0.0022131000000000,  0.0005897500000000,  0.0028111400000000 ]  - [   0.0028909800000000, -0.0009498000000000,  0.0030496600000000 ]  - [   0.0038595300000000,  0.0004172200000000, -0.0058686400000000 ]  - [   0.0007790200000000, -0.0003458100000000, -0.0003263200000000 ]  - [  -0.0066028900000000, -0.0054316900000000, -0.0050093100000000 ]  - [  -0.0073341600000000,  0.0035188000000000,  0.0053606900000000 ]  - [  -0.0046742300000000, -0.0014749200000000,  0.0013547200000000 ]  - [  -0.0035649800000000,  0.0037113900000000, -0.0006581100000000 ]  - [   0.0003769600000000,  0.0001578500000000, -0.0006765800000000 ]  - [   0.0304320300000000,  0.0097931100000000, -0.0086737000000000 ]  - [   0.0528733400000000,  0.0034559500000000,  0.0216977000000000 ]  - [   0.0375212900000000, -0.0146184600000000, -0.0148335900000000 ]  - [   0.0005821500000000,  0.0060523500000000,  0.0005219900000000 ]  - [  -0.0130849300000000,  0.0062800000000000, -0.0029954600000000 ]  - [  -0.0064834200000000, -0.0056652500000000,  0.0024768900000000 ]  - [   0.0306099700000000,  0.0098771700000000, -0.0087267200000000 ]  - [   0.0566398100000000,  0.0040145000000000,  0.0246708700000000 ]  - [   0.0371589400000000, -0.0137587300000000, -0.0140890700000000 ]  - [   0.0005744900000000,  0.0060642800000000,  0.0005297900000000 ]  - [  -0.0064811400000000, -0.0056475900000000,  0.0024844400000000 ]  - [  -0.0131105400000000,  0.0063536700000000, -0.0030279000000000 ]  - [   0.0007793100000000, -0.0003537100000000, -0.0003247200000000 ]  - [  -0.0065992600000000, -0.0054373600000000, -0.0050134600000000 ]  - [  -0.0072982200000000,  0.0034833900000000,  0.0053220800000000 ]  - [  -0.0046583300000000, -0.0014591100000000,  0.0013347000000000 ]  - [   0.0003737700000000,  0.0001806200000000, -0.0006888700000000 ]  - [  -0.0035549700000000,  0.0037215300000000, -0.0006769700000000 ]  - [  -0.0123904100000000, -0.0000270900000000, -0.0000373800000000 ]  - [  -0.0123756000000000, -0.0000169900000000,  0.0000373900000000 ]  - [   0.0004356300000000, -0.0000505900000000, -0.0000006500000000 ]  - [   0.0022071200000000,  0.0003446700000000,  0.0000024500000000 ]  - [   0.0022090900000000,  0.0003326400000000, -0.0000023500000000 ]  - [   0.0004370400000000, -0.0000469300000000,  0.0000005100000000 ]  - [  -0.0009951000000000,  0.0016554000000000,  0.0013353500000000 ]  - [   0.0017305900000000,  0.0001392300000000, -0.0011942500000000 ]  - [  -0.0009092400000000, -0.0014817600000000, -0.0001345800000000 ]  - [  -0.0009942100000000,  0.0016236600000000,  0.0013234800000000 ]  - [   0.0017474700000000,  0.0001542200000000, -0.0011858000000000 ]  - [  -0.0009352100000000, -0.0014695400000000, -0.0001406900000000 ]  - [   0.0436966600000000,  0.0043639100000000, -0.0186101300000000 ]  - [   0.0010973300000000, -0.0255342700000000,  0.0107443100000000 ]  - [  -0.0036422200000000,  0.0259335600000000,  0.0076789200000000 ]  - [   0.0021865100000000, -0.0084421200000000, -0.0078391600000000 ]  - [   0.0022449300000000,  0.0062005300000000, -0.0054838500000000 ]  - [   0.0148739000000000, -0.0011694700000000,  0.0132778500000000 ]  - [   0.0022019200000000, -0.0084166800000000, -0.0078187300000000 ]  - [   0.0022638900000000,  0.0061994900000000, -0.0054851200000000 ]  - [   0.0149159500000000, -0.0011631200000000,  0.0133488400000000 ]  - [   0.0430995600000000,  0.0042777000000000, -0.0183481800000000 ]  - [   0.0011039100000000, -0.0256828300000000,  0.0108094200000000 ]  - [  -0.0037018300000000,  0.0260389800000000,  0.0077211500000000 ]  - [  -0.2997116300000000, -0.0000006700000000, -0.0000500600000000 ]  - [  -0.0122781200000000,  0.0013870900000000, -0.0000031900000000 ]  - [   0.0093017600000000,  0.0000128800000000,  0.0000094700000000 ]  - [   0.0094160300000000, -0.0063407600000000, -0.0000198200000000 ]  - [   0.0093213800000000, -0.0000135300000000, -0.0000141500000000 ]  - [   0.0094206900000000, -0.0064103500000000,  0.0000253200000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005541200000000,  0.0014050800000000, -0.0050222400000000 ]  - [  -0.0014938900000000, -0.0002226600000000, -0.0050222400000000 ]  - [   0.0009397700000000, -0.0011824200000000, -0.0050222400000000 ]  - [  -0.0013065300000000, -0.0021926900000000, -0.0105047200000000 ]  - [   0.0025521800000000, -0.0000351400000000, -0.0105047200000000 ]  - [  -0.0012456600000000,  0.0022278300000000, -0.0105047200000000 ]  - [   0.0005564900000000,  0.0014193900000000, -0.0050249800000000 ]  - [  -0.0015074800000000, -0.0002277700000000, -0.0050249800000000 ]  - [   0.0009509900000000, -0.0011916300000000, -0.0050249800000000 ]  - [  -0.0013085800000000, -0.0021996900000000, -0.0104916900000000 ]  - [  -0.0012506900000000,  0.0022331100000000, -0.0104916900000000 ]  - [   0.0025592800000000, -0.0000334200000000, -0.0104916900000000 ]  - [  -0.0013300400000000,  0.0032659300000000, -0.0027273400000000 ]  - [  -0.0021633600000000, -0.0027848100000000, -0.0027273400000000 ]  - [   0.0034934000000000, -0.0004811200000000, -0.0027273400000000 ]  - [   0.0015345000000000,  0.0000698400000000, -0.0006591300000000 ]  - [  -0.0008277400000000,  0.0012939900000000, -0.0006591300000000 ]  - [  -0.0007067600000000, -0.0013638400000000, -0.0006591300000000 ]  - [  -0.0093072100000000, -0.0208408500000000,  0.0439128500000000 ]  - [   0.0227023100000000,  0.0023601400000000,  0.0439128500000000 ]  - [  -0.0133951000000000,  0.0184807000000000,  0.0439128500000000 ]  - [   0.0003371600000000, -0.0014031800000000,  0.0056945400000000 ]  - [  -0.0013837700000000,  0.0004096000000000,  0.0056945400000000 ]  - [   0.0010466100000000,  0.0009935800000000,  0.0056945400000000 ]  - [  -0.0099539400000000, -0.0224393700000000,  0.0447799400000000 ]  - [   0.0244100400000000,  0.0025993200000000,  0.0447799400000000 ]  - [  -0.0144561000000000,  0.0198400500000000,  0.0447799400000000 ]  - [   0.0003328300000000, -0.0013954000000000,  0.0057202500000000 ]  - [   0.0010420300000000,  0.0009859400000000,  0.0057202500000000 ]  - [  -0.0013748700000000,  0.0004094600000000,  0.0057202500000000 ]  - [  -0.0013381700000000,  0.0032741600000000, -0.0027002100000000 ]  - [  -0.0021664200000000, -0.0027959600000000, -0.0027002100000000 ]  - [   0.0035045900000000, -0.0004781900000000, -0.0027002100000000 ]  - [   0.0015518400000000,  0.0000796300000000, -0.0006409700000000 ]  - [  -0.0007069600000000, -0.0013837500000000, -0.0006409700000000 ]  - [  -0.0008448800000000,  0.0013041200000000, -0.0006409700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0364080700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0357696000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024423000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030369700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0030319900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024384500000000 ]  - [  -0.0006235800000000,  0.0009580600000000,  0.0061337700000000 ]  - [  -0.0005179100000000, -0.0010190700000000,  0.0061337700000000 ]  - [   0.0011415000000000,  0.0000610100000000,  0.0061337700000000 ]  - [  -0.0006055900000000,  0.0009562200000000,  0.0061270100000000 ]  - [  -0.0005253200000000, -0.0010025700000000,  0.0061270100000000 ]  - [   0.0011309100000000,  0.0000463500000000,  0.0061270100000000 ]  - [  -0.0167560600000000, -0.0016002500000000, -0.0146402300000000 ]  - [   0.0097638900000000, -0.0137110500000000, -0.0146402300000000 ]  - [   0.0069921800000000,  0.0153113000000000, -0.0146402300000000 ]  - [  -0.0038145900000000,  0.0083177800000000,  0.0088250300000000 ]  - [  -0.0052961100000000, -0.0074624300000000,  0.0088250300000000 ]  - [   0.0091107100000000, -0.0008553600000000,  0.0088250300000000 ]  - [  -0.0038357800000000,  0.0083658800000000,  0.0088172200000000 ]  - [  -0.0053271700000000, -0.0075048200000000,  0.0088172200000000 ]  - [   0.0091629500000000, -0.0008610500000000,  0.0088172200000000 ]  - [  -0.0167669600000000, -0.0016214300000000, -0.0147011700000000 ]  - [   0.0097876800000000, -0.0137099000000000, -0.0147011700000000 ]  - [   0.0069792800000000,  0.0153313300000000, -0.0147011700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2987141200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0259482200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0098323200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032770200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0098638400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033365100000000 ]