# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f4c29dd3-ff1f-413f-a8da-93b1156a3f02/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 K3Nb3Si2O13 / P-62m (189) / materials id 17059](https://mdr.nims.go.jp/datasets/a5fb697a-fc5c-4a48-ae01-cd768f8506ad)

## 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: "P-62m"  number: 189  Hall_symbol: "P -6 -2"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     9.184941280000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.592470650000000,     7.954392490000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.840296430000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.771346270000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.771346270000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.228653730000000,  0.228653730000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.514155830000000,  0.817400100000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.303244270000000,  0.485844170000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.182599900000000,  0.696755730000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.485844170000000,  0.303244270000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.182599900000000,  0.696755730000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.514155830000000,  0.817400100000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.303244270000000,  0.485844170000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.696755730000000,  0.182599900000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.817400100000000,  0.514155830000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.817400100000000,  0.514155830000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.696755730000000,  0.182599900000000,  0.773475010000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.485844170000000,  0.303244270000000,  0.226524990000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.826071770000000,  0.826071770000000,  0.730464580000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.666666670000000,  0.333333330000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.276005090000000,  0.276005090000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.723994910000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.723994910000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.826071770000000,  0.826071770000000,  0.269535420000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.173928230000000,  0.000000000000000,  0.730464580000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.000000000000000,  0.173928230000000,  0.730464580000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.173928230000000,  0.269535420000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.173928230000000,  0.000000000000000,  0.269535420000000 ]    mass: 15.999400  - symbol: Si # 27    coordinates: [  0.666666670000000,  0.333333330000000,  0.289349890000000 ]    mass: 28.085500  - symbol: Si # 28    coordinates: [  0.666666670000000,  0.333333330000000,  0.710650110000000 ]    mass: 28.085500  - symbol: Si # 29    coordinates: [  0.333333330000000,  0.666666670000000,  0.710650110000000 ]    mass: 28.085500  - symbol: Si # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.289349890000000 ]    mass: 28.085500  - symbol: K  # 31    coordinates: [  0.402253360000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 32    coordinates: [  0.000000000000000,  0.402253360000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 33    coordinates: [  0.606636880000000,  0.606636880000000,  0.500000000000000 ]    mass: 39.098300  - symbol: K  # 34    coordinates: [  0.393363120000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300  - symbol: K  # 35    coordinates: [  0.597746640000000,  0.597746640000000,  0.000000000000000 ]    mass: 39.098300  - symbol: K  # 36    coordinates: [  0.000000000000000,  0.393363120000000,  0.500000000000000 ]    mass: 39.098300  - symbol: Nb # 37    coordinates: [  0.237801460000000,  0.237801460000000,  0.250227060000000 ]    mass: 92.906380  - symbol: Nb # 38    coordinates: [  0.000000000000000,  0.762198540000000,  0.749772940000000 ]    mass: 92.906380  - symbol: Nb # 39    coordinates: [  0.000000000000000,  0.762198540000000,  0.250227060000000 ]    mass: 92.906380  - symbol: Nb # 40    coordinates: [  0.762198540000000,  0.000000000000000,  0.250227060000000 ]    mass: 92.906380  - symbol: Nb # 41    coordinates: [  0.237801460000000,  0.237801460000000,  0.749772940000000 ]    mass: 92.906380  - symbol: Nb # 42    coordinates: [  0.762198540000000,  0.000000000000000,  0.749772940000000 ]    mass: 92.906380  reciprocal_lattice: # without 2pi  - [     0.108873858799454,     0.062858351749341,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.125716703224937,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.127546197892928 ] # c*unit_cell:  lattice:  - [     9.184941280000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.592470650000000,     7.954392490000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.840296430000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.771346270000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.771346270000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.228653730000000,  0.228653730000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.514155830000000,  0.817400100000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.303244270000000,  0.485844170000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.182599900000000,  0.696755730000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.485844170000000,  0.303244270000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.182599900000000,  0.696755730000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.514155830000000,  0.817400100000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.303244270000000,  0.485844170000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.696755730000000,  0.182599900000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.817400100000000,  0.514155830000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.817400100000000,  0.514155830000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.696755730000000,  0.182599900000000,  0.773475010000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.485844170000000,  0.303244270000000,  0.226524990000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.826071770000000,  0.826071770000000,  0.730464580000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.333333330000000,  0.666666670000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.666666670000000,  0.333333330000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.276005090000000,  0.276005090000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.723994910000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.723994910000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.826071770000000,  0.826071770000000,  0.269535420000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.173928230000000,  0.000000000000000,  0.730464580000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.000000000000000,  0.173928230000000,  0.730464580000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.173928230000000,  0.269535420000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.173928230000000,  0.000000000000000,  0.269535420000000 ]    mass: 15.999400    reduced_to: 26  - symbol: Si # 27    coordinates: [  0.666666670000000,  0.333333330000000,  0.289349890000000 ]    mass: 28.085500    reduced_to: 27  - symbol: Si # 28    coordinates: [  0.666666670000000,  0.333333330000000,  0.710650110000000 ]    mass: 28.085500    reduced_to: 28  - symbol: Si # 29    coordinates: [  0.333333330000000,  0.666666670000000,  0.710650110000000 ]    mass: 28.085500    reduced_to: 29  - symbol: Si # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.289349890000000 ]    mass: 28.085500    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.402253360000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.000000000000000,  0.402253360000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 32  - symbol: K  # 33    coordinates: [  0.606636880000000,  0.606636880000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.393363120000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 35    coordinates: [  0.597746640000000,  0.597746640000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.000000000000000,  0.393363120000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 36  - symbol: Nb # 37    coordinates: [  0.237801460000000,  0.237801460000000,  0.250227060000000 ]    mass: 92.906380    reduced_to: 37  - symbol: Nb # 38    coordinates: [  0.000000000000000,  0.762198540000000,  0.749772940000000 ]    mass: 92.906380    reduced_to: 38  - symbol: Nb # 39    coordinates: [  0.000000000000000,  0.762198540000000,  0.250227060000000 ]    mass: 92.906380    reduced_to: 39  - symbol: Nb # 40    coordinates: [  0.762198540000000,  0.000000000000000,  0.250227060000000 ]    mass: 92.906380    reduced_to: 40  - symbol: Nb # 41    coordinates: [  0.237801460000000,  0.237801460000000,  0.749772940000000 ]    mass: 92.906380    reduced_to: 41  - symbol: Nb # 42    coordinates: [  0.762198540000000,  0.000000000000000,  0.749772940000000 ]    mass: 92.906380    reduced_to: 42supercell:  lattice:  - [     9.184941280000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.592470650000000,     7.954392490000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.680592860000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.771346270000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.771346270000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.771346270000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.771346270000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 5    coordinates: [  0.228653730000000,  0.228653730000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.228653730000000,  0.228653730000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.514155830000000,  0.817400100000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.514155830000000,  0.817400100000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.303244270000000,  0.485844170000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.303244270000000,  0.485844170000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.182599900000000,  0.696755730000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.182599900000000,  0.696755730000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.485844170000000,  0.303244270000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.485844170000000,  0.303244270000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.182599900000000,  0.696755730000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.182599900000000,  0.696755730000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.514155830000000,  0.817400100000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.514155830000000,  0.817400100000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.303244270000000,  0.485844170000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.303244270000000,  0.485844170000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.696755730000000,  0.182599900000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.696755730000000,  0.182599900000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.817400100000000,  0.514155830000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.817400100000000,  0.514155830000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.817400100000000,  0.514155830000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.817400100000000,  0.514155830000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.696755730000000,  0.182599900000000,  0.386737505000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.696755730000000,  0.182599900000000,  0.886737505000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.485844170000000,  0.303244270000000,  0.113262495000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.485844170000000,  0.303244270000000,  0.613262495000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.826071770000000,  0.826071770000000,  0.365232290000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.826071770000000,  0.826071770000000,  0.865232290000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.276005090000000,  0.276005090000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.276005090000000,  0.276005090000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.723994910000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.723994910000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.000000000000000,  0.723994910000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.000000000000000,  0.723994910000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.826071770000000,  0.826071770000000,  0.134767710000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.826071770000000,  0.826071770000000,  0.634767710000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.173928230000000,  0.000000000000000,  0.365232290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.173928230000000,  0.000000000000000,  0.865232290000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.000000000000000,  0.173928230000000,  0.365232290000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.000000000000000,  0.173928230000000,  0.865232290000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.173928230000000,  0.134767710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.000000000000000,  0.173928230000000,  0.634767710000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.173928230000000,  0.000000000000000,  0.134767710000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.173928230000000,  0.000000000000000,  0.634767710000000 ]    mass: 15.999400    reduced_to: 51  - symbol: Si # 53    coordinates: [  0.666666670000000,  0.333333330000000,  0.144674945000000 ]    mass: 28.085500    reduced_to: 53  - symbol: Si # 54    coordinates: [  0.666666670000000,  0.333333330000000,  0.644674945000000 ]    mass: 28.085500    reduced_to: 53  - symbol: Si # 55    coordinates: [  0.666666670000000,  0.333333330000000,  0.355325055000000 ]    mass: 28.085500    reduced_to: 55  - symbol: Si # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.855325055000000 ]    mass: 28.085500    reduced_to: 55  - symbol: Si # 57    coordinates: [  0.333333330000000,  0.666666670000000,  0.355325055000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.855325055000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 59    coordinates: [  0.333333330000000,  0.666666670000000,  0.144674945000000 ]    mass: 28.085500    reduced_to: 59  - symbol: Si # 60    coordinates: [  0.333333330000000,  0.666666670000000,  0.644674945000000 ]    mass: 28.085500    reduced_to: 59  - symbol: K  # 61    coordinates: [  0.402253360000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.402253360000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 63    coordinates: [  0.000000000000000,  0.402253360000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 64    coordinates: [  0.000000000000000,  0.402253360000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 65    coordinates: [  0.606636880000000,  0.606636880000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 66    coordinates: [  0.606636880000000,  0.606636880000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 67    coordinates: [  0.393363120000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 67  - symbol: K  # 68    coordinates: [  0.393363120000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 67  - symbol: K  # 69    coordinates: [  0.597746640000000,  0.597746640000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 69  - symbol: K  # 70    coordinates: [  0.597746640000000,  0.597746640000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 69  - symbol: K  # 71    coordinates: [  0.000000000000000,  0.393363120000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 71  - symbol: K  # 72    coordinates: [  0.000000000000000,  0.393363120000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 71  - symbol: Nb # 73    coordinates: [  0.237801460000000,  0.237801460000000,  0.125113530000000 ]    mass: 92.906380    reduced_to: 73  - symbol: Nb # 74    coordinates: [  0.237801460000000,  0.237801460000000,  0.625113530000000 ]    mass: 92.906380    reduced_to: 73  - symbol: Nb # 75    coordinates: [  0.000000000000000,  0.762198540000000,  0.374886470000000 ]    mass: 92.906380    reduced_to: 75  - symbol: Nb # 76    coordinates: [  0.000000000000000,  0.762198540000000,  0.874886470000000 ]    mass: 92.906380    reduced_to: 75  - symbol: Nb # 77    coordinates: [  0.000000000000000,  0.762198540000000,  0.125113530000000 ]    mass: 92.906380    reduced_to: 77  - symbol: Nb # 78    coordinates: [  0.000000000000000,  0.762198540000000,  0.625113530000000 ]    mass: 92.906380    reduced_to: 77  - symbol: Nb # 79    coordinates: [  0.762198540000000,  0.000000000000000,  0.125113530000000 ]    mass: 92.906380    reduced_to: 79  - symbol: Nb # 80    coordinates: [  0.762198540000000,  0.000000000000000,  0.625113530000000 ]    mass: 92.906380    reduced_to: 79  - symbol: Nb # 81    coordinates: [  0.237801460000000,  0.237801460000000,  0.374886470000000 ]    mass: 92.906380    reduced_to: 81  - symbol: Nb # 82    coordinates: [  0.237801460000000,  0.237801460000000,  0.874886470000000 ]    mass: 92.906380    reduced_to: 81  - symbol: Nb # 83    coordinates: [  0.762198540000000,  0.000000000000000,  0.374886470000000 ]    mass: 92.906380    reduced_to: 83  - symbol: Nb # 84    coordinates: [  0.762198540000000,  0.000000000000000,  0.874886470000000 ]    mass: 92.906380    reduced_to: 83displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0034365400000000, -0.0634815000000000,  0.0000000000000000 ]  - [   0.0382567400000000, -0.0637366000000000,  0.0000000000000000 ]  - [  -0.0738055000000000, -0.0003204900000000,  0.0000000000000000 ]  - [  -0.0742747200000000,  0.0000098600000000,  0.0000000000000000 ]  - [   0.0370371200000000,  0.0643098900000000,  0.0000000000000000 ]  - [   0.0372320200000000,  0.0643655700000000,  0.0000000000000000 ]  - [   0.0034524000000000, -0.0004096900000000, -0.0010444400000000 ]  - [   0.0010270700000000, -0.0012270700000000, -0.0011839600000000 ]  - [  -0.0002508500000000, -0.0008636200000000, -0.0011158400000000 ]  - [  -0.0016235500000000, -0.0000126300000000, -0.0012739900000000 ]  - [   0.0126940600000000, -0.0025459500000000,  0.0100789100000000 ]  - [   0.0013326900000000,  0.0013709800000000, -0.0014566400000000 ]  - [   0.0014366200000000, -0.0013038300000000,  0.0009315900000000 ]  - [   0.0019746600000000, -0.0007108400000000,  0.0010079600000000 ]  - [   0.0013326900000000,  0.0013709800000000,  0.0014566400000000 ]  - [   0.0126940600000000, -0.0025459500000000, -0.0100789100000000 ]  - [   0.0010270700000000, -0.0012270700000000,  0.0011839600000000 ]  - [   0.0034524000000000, -0.0004096900000000,  0.0010444400000000 ]  - [  -0.0016235500000000, -0.0000126300000000,  0.0012739900000000 ]  - [  -0.0002508500000000, -0.0008636200000000,  0.0011158400000000 ]  - [   0.0012236100000000,  0.0017207300000000, -0.0007734900000000 ]  - [   0.0006322600000000,  0.0017088400000000, -0.0008309100000000 ]  - [  -0.0039761200000000,  0.0036763600000000, -0.0041070200000000 ]  - [  -0.0017742100000000, -0.0000255200000000, -0.0007981100000000 ]  - [  -0.0017742100000000, -0.0000255200000000,  0.0007981100000000 ]  - [  -0.0039761200000000,  0.0036763600000000,  0.0041070200000000 ]  - [   0.0006322600000000,  0.0017088400000000,  0.0008309100000000 ]  - [   0.0012236100000000,  0.0017207300000000,  0.0007734900000000 ]  - [   0.0019746600000000, -0.0007108400000000, -0.0010079600000000 ]  - [   0.0014366200000000, -0.0013038300000000, -0.0009315900000000 ]  - [  -0.0007942700000000, -0.0001863500000000, -0.0015830500000000 ]  - [   0.0055530200000000, -0.0047188300000000,  0.0079866800000000 ]  - [   0.0016715300000000, -0.0000942200000000,  0.0024771600000000 ]  - [   0.0016715300000000, -0.0000942200000000, -0.0024771600000000 ]  - [   0.0003378000000000,  0.0003951600000000, -0.0006659000000000 ]  - [   0.0003378000000000,  0.0003951600000000,  0.0006659000000000 ]  - [   0.0345717500000000,  0.0598689800000000,  0.0006612100000000 ]  - [   0.0345717500000000,  0.0598689800000000, -0.0006612100000000 ]  - [  -0.0683861300000000, -0.0002995300000000, -0.0018390200000000 ]  - [  -0.0683861300000000, -0.0002995300000000,  0.0018390200000000 ]  - [   0.0382203600000000, -0.0590515700000000, -0.0007371700000000 ]  - [   0.0382203600000000, -0.0590515700000000,  0.0007371700000000 ]  - [   0.0055530200000000, -0.0047188300000000, -0.0079866800000000 ]  - [  -0.0007942700000000, -0.0001863500000000,  0.0015830500000000 ]  - [   0.0003991500000000, -0.0003879200000000, -0.0016467800000000 ]  - [  -0.0022554300000000,  0.0029926100000000, -0.0044437900000000 ]  - [  -0.0005228400000000,  0.0002052800000000, -0.0016805900000000 ]  - [  -0.0015571200000000, -0.0006620800000000, -0.0016029500000000 ]  - [  -0.0015571200000000, -0.0006620800000000,  0.0016029500000000 ]  - [  -0.0005228400000000,  0.0002052800000000,  0.0016805900000000 ]  - [  -0.0022554300000000,  0.0029926100000000,  0.0044437900000000 ]  - [   0.0003991500000000, -0.0003879200000000,  0.0016467800000000 ]  - [  -0.0014593600000000, -0.0017461600000000,  0.0012441100000000 ]  - [  -0.0001937700000000, -0.0002154800000000,  0.0006995700000000 ]  - [  -0.0001937700000000, -0.0002154800000000, -0.0006995700000000 ]  - [  -0.0014593600000000, -0.0017461600000000, -0.0012441100000000 ]  - [  -0.0003788400000000, -0.0000776100000000, -0.0023608800000000 ]  - [  -0.0073827500000000,  0.0004458400000000, -0.0002916800000000 ]  - [  -0.0073827500000000,  0.0004458400000000,  0.0002916800000000 ]  - [  -0.0003788400000000, -0.0000776100000000,  0.0023608800000000 ]  - [  -0.0016183300000000, -0.0022314800000000,  0.0000000000000000 ]  - [   0.0003508300000000, -0.0000956800000000,  0.0000000000000000 ]  - [  -0.0000481800000000,  0.0024827100000000,  0.0000000000000000 ]  - [  -0.0000735600000000,  0.0004059000000000,  0.0000000000000000 ]  - [  -0.0007532000000000, -0.0008864800000000,  0.0002721900000000 ]  - [  -0.0007532000000000, -0.0008864800000000, -0.0002721900000000 ]  - [   0.0005246700000000, -0.0004419800000000, -0.0003777500000000 ]  - [   0.0005246700000000, -0.0004419800000000,  0.0003777500000000 ]  - [  -0.0029297800000000, -0.0019644500000000,  0.0000000000000000 ]  - [  -0.0003018200000000, -0.0003360300000000,  0.0000000000000000 ]  - [  -0.0000577900000000,  0.0010949300000000, -0.0001892300000000 ]  - [  -0.0000577900000000,  0.0010949300000000,  0.0001892300000000 ]  - [  -0.0353291600000000, -0.0635251200000000,  0.0097190600000000 ]  - [  -0.0362855300000000, -0.0622647800000000,  0.0101481200000000 ]  - [  -0.0363516100000000,  0.0620580200000000, -0.0102866300000000 ]  - [  -0.0240430900000000,  0.0625879200000000, -0.0122029100000000 ]  - [  -0.0240430900000000,  0.0625879200000000,  0.0122029100000000 ]  - [  -0.0363516100000000,  0.0620580200000000,  0.0102866300000000 ]  - [   0.0675009800000000,  0.0041163900000000,  0.0104279800000000 ]  - [   0.0726288700000000, -0.0002886300000000,  0.0086005200000000 ]  - [  -0.0362855300000000, -0.0622647800000000, -0.0101481200000000 ]  - [  -0.0353291600000000, -0.0635251200000000, -0.0097190600000000 ]  - [   0.0726288700000000, -0.0002886300000000, -0.0086005200000000 ]  - [   0.0675009800000000,  0.0041163900000000, -0.0104279800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0776555600000000, -0.0653324300000000,  0.0000000000000000 ]  - [   0.0361003800000000, -0.0650742500000000,  0.0000000000000000 ]  - [  -0.0749732300000000,  0.0003145700000000,  0.0000000000000000 ]  - [  -0.0745057100000000, -0.0000125700000000,  0.0000000000000000 ]  - [   0.0373592700000000,  0.0645350700000000,  0.0000000000000000 ]  - [   0.0371624400000000,  0.0644812700000000,  0.0000000000000000 ]  - [  -0.0022328300000000, -0.0029692000000000, -0.0009255000000000 ]  - [   0.0001808000000000, -0.0021580700000000, -0.0008023800000000 ]  - [  -0.0032728900000000,  0.0014824900000000, -0.0008560800000000 ]  - [  -0.0019144000000000,  0.0006518300000000, -0.0007110800000000 ]  - [  -0.0102097400000000,  0.0052116400000000, -0.0118466300000000 ]  - [   0.0009542600000000,  0.0013735200000000, -0.0005209200000000 ]  - [   0.0008907500000000, -0.0014345900000000,  0.0010502900000000 ]  - [   0.0003495200000000, -0.0020298000000000,  0.0009613800000000 ]  - [   0.0009542600000000,  0.0013735200000000,  0.0005209200000000 ]  - [  -0.0102097400000000,  0.0052116400000000,  0.0118466300000000 ]  - [   0.0001808000000000, -0.0021580700000000,  0.0008023800000000 ]  - [  -0.0022328300000000, -0.0029692000000000,  0.0009255000000000 ]  - [  -0.0019144000000000,  0.0006518300000000,  0.0007110800000000 ]  - [  -0.0032728900000000,  0.0014824900000000,  0.0008560800000000 ]  - [  -0.0000188400000000,  0.0016743800000000, -0.0011991200000000 ]  - [   0.0005789000000000,  0.0016793300000000, -0.0011547400000000 ]  - [   0.0004789900000000, -0.0042783100000000,  0.0021331600000000 ]  - [  -0.0017500000000000, -0.0005939200000000, -0.0011748600000000 ]  - [  -0.0017500000000000, -0.0005939200000000,  0.0011748600000000 ]  - [   0.0004789900000000, -0.0042783100000000, -0.0021331600000000 ]  - [   0.0005789000000000,  0.0016793300000000,  0.0011547400000000 ]  - [  -0.0000188400000000,  0.0016743800000000,  0.0011991200000000 ]  - [   0.0003495200000000, -0.0020298000000000, -0.0009613800000000 ]  - [   0.0008907500000000, -0.0014345900000000, -0.0010502900000000 ]  - [   0.0003416800000000, -0.0006763500000000, -0.0017524500000000 ]  - [  -0.0061235400000000,  0.0039405200000000, -0.0114723200000000 ]  - [  -0.0016584300000000,  0.0000925200000000, -0.0024267400000000 ]  - [  -0.0016584300000000,  0.0000925200000000,  0.0024267400000000 ]  - [  -0.0003360900000000, -0.0003856700000000,  0.0006784500000000 ]  - [  -0.0003360900000000, -0.0003856700000000, -0.0006784500000000 ]  - [   0.0344613000000000,  0.0596884200000000, -0.0006451900000000 ]  - [   0.0344613000000000,  0.0596884200000000,  0.0006451900000000 ]  - [  -0.0696788500000000,  0.0003037600000000,  0.0018991600000000 ]  - [  -0.0696788500000000,  0.0003037600000000, -0.0018991600000000 ]  - [   0.0307490200000000, -0.0604453300000000,  0.0004672800000000 ]  - [   0.0307490200000000, -0.0604453300000000, -0.0004672800000000 ]  - [  -0.0061235400000000,  0.0039405200000000,  0.0114723200000000 ]  - [   0.0003416800000000, -0.0006763500000000,  0.0017524500000000 ]  - [   0.0005748700000000,  0.0003519800000000, -0.0016926300000000 ]  - [   0.0032041100000000, -0.0030465200000000,  0.0011167500000000 ]  - [   0.0000418400000000,  0.0006411400000000, -0.0016532700000000 ]  - [   0.0010887800000000,  0.0015166400000000, -0.0017393600000000 ]  - [   0.0010887800000000,  0.0015166400000000,  0.0017393600000000 ]  - [   0.0000418400000000,  0.0006411400000000,  0.0016532700000000 ]  - [   0.0032041100000000, -0.0030465200000000, -0.0011167500000000 ]  - [   0.0005748700000000,  0.0003519800000000,  0.0016926300000000 ]  - [   0.0014593400000000,  0.0017256800000000,  0.0007902400000000 ]  - [   0.0001881800000000,  0.0001998700000000,  0.0013614700000000 ]  - [   0.0001881800000000,  0.0001998700000000, -0.0013614700000000 ]  - [   0.0014593400000000,  0.0017256800000000, -0.0007902400000000 ]  - [   0.0004088300000000,  0.0000769300000000,  0.0002792300000000 ]  - [   0.0073391300000000, -0.0004353600000000, -0.0017457300000000 ]  - [   0.0073391300000000, -0.0004353600000000,  0.0017457300000000 ]  - [   0.0004088300000000,  0.0000769300000000, -0.0002792300000000 ]  - [   0.0023879700000000,  0.0022322900000000,  0.0000000000000000 ]  - [   0.0004041700000000,  0.0000980400000000,  0.0000000000000000 ]  - [  -0.0003230500000000, -0.0018247000000000,  0.0000000000000000 ]  - [  -0.0003000100000000,  0.0002402400000000,  0.0000000000000000 ]  - [   0.0000091600000000, -0.0003873900000000, -0.0002794900000000 ]  - [   0.0000091600000000, -0.0003873900000000,  0.0002794900000000 ]  - [   0.0009556100000000,  0.0004409100000000,  0.0003703300000000 ]  - [   0.0009556100000000,  0.0004409100000000, -0.0003703300000000 ]  - [   0.0025371600000000,  0.0013155200000000,  0.0000000000000000 ]  - [  -0.0000782200000000, -0.0003147400000000,  0.0000000000000000 ]  - [  -0.0006738500000000,  0.0001763900000000,  0.0001809800000000 ]  - [  -0.0006738500000000,  0.0001763900000000, -0.0001809800000000 ]  - [  -0.0371607400000000, -0.0619492000000000,  0.0097348200000000 ]  - [  -0.0361911300000000, -0.0632241400000000,  0.0093450500000000 ]  - [  -0.0360968700000000,  0.0634439900000000, -0.0090965900000000 ]  - [  -0.0483940400000000,  0.0628918800000000, -0.0063644300000000 ]  - [  -0.0483940400000000,  0.0628918800000000,  0.0063644300000000 ]  - [  -0.0360968700000000,  0.0634439900000000,  0.0090965900000000 ]  - [   0.0774667200000000, -0.0041805300000000,  0.0090197500000000 ]  - [   0.0722771100000000,  0.0003014000000000,  0.0109199400000000 ]  - [  -0.0361911300000000, -0.0632241400000000, -0.0093450500000000 ]  - [  -0.0371607400000000, -0.0619492000000000, -0.0097348200000000 ]  - [   0.0722771100000000,  0.0003014000000000, -0.0109199400000000 ]  - [   0.0774667200000000, -0.0041805300000000, -0.0090197500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0370408000000000, -0.0641565400000000, -0.2664763600000000 ]  - [   0.0372034900000000, -0.0644383400000000,  0.0332263700000000 ]  - [  -0.0743774100000000, -0.0000089400000000, -0.0294509900000000 ]  - [  -0.0743894900000000, -0.0000004300000000,  0.0165905700000000 ]  - [   0.0371964500000000,  0.0644082600000000, -0.0294509900000000 ]  - [   0.0371951100000000,  0.0644229800000000,  0.0165905700000000 ]  - [   0.0027966200000000,  0.0003900000000000, -0.0029802700000000 ]  - [  -0.0005130600000000, -0.0028692300000000,  0.0015699400000000 ]  - [   0.0006635900000000, -0.0014373900000000, -0.0033172800000000 ]  - [  -0.0022546300000000,  0.0014321600000000,  0.0019276700000000 ]  - [   0.0282710000000000, -0.0055154200000000,  0.0049230000000000 ]  - [  -0.0008934300000000,  0.0014522500000000,  0.0037871600000000 ]  - [  -0.0004160000000000, -0.0017520400000000,  0.0035422600000000 ]  - [   0.0040724700000000, -0.0005023700000000, -0.0009705300000000 ]  - [   0.0032702100000000,  0.0012811600000000,  0.0057750100000000 ]  - [  -0.0258000000000000,  0.0082182800000000,  0.0070652400000000 ]  - [   0.0017253100000000, -0.0005157600000000,  0.0035422600000000 ]  - [  -0.0016011700000000, -0.0037780500000000, -0.0009705300000000 ]  - [  -0.0012805100000000, -0.0007825700000000,  0.0039030800000000 ]  - [  -0.0042068400000000,  0.0021042200000000, -0.0013051600000000 ]  - [   0.0009130200000000, -0.0012933800000000, -0.0033172800000000 ]  - [  -0.0001129700000000,  0.0026686500000000,  0.0019276700000000 ]  - [  -0.0093590100000000, -0.0272411100000000,  0.0049230000000000 ]  - [  -0.0008109700000000,  0.0014998600000000,  0.0037871600000000 ]  - [  -0.0027446200000000, -0.0021915100000000,  0.0057750100000000 ]  - [   0.0057827600000000,  0.0264526000000000,  0.0070652400000000 ]  - [   0.0013179800000000,  0.0007176700000000,  0.0039030800000000 ]  - [   0.0002811100000000,  0.0046953400000000, -0.0013051600000000 ]  - [  -0.0017360600000000, -0.0022269500000000, -0.0029802700000000 ]  - [   0.0027413500000000, -0.0009902900000000,  0.0015699400000000 ]  - [  -0.0048093500000000,  0.0025115400000000,  0.0026080000000000 ]  - [   0.0386042500000000, -0.0187368300000000,  0.0074911100000000 ]  - [   0.0031474000000000, -0.0004907000000000,  0.0056614200000000 ]  - [  -0.0031496000000000,  0.0004926300000000,  0.0057219200000000 ]  - [  -0.0011487400000000, -0.0029710800000000,  0.0056614200000000 ]  - [   0.0011481700000000,  0.0029739500000000,  0.0057219200000000 ]  - [   0.0334906000000000,  0.0608197400000000,  0.0068016500000000 ]  - [   0.0355396900000000,  0.0587397800000000,  0.0068574100000000 ]  - [  -0.0694167400000000,  0.0014061600000000,  0.0068016500000000 ]  - [  -0.0686399900000000, -0.0014083900000000,  0.0068574100000000 ]  - [   0.0379452500000000, -0.0657231000000000,  0.0683252700000000 ]  - [   0.0311730900000000, -0.0539933700000000,  0.0675295000000000 ]  - [  -0.0394261500000000,  0.0179998600000000,  0.0107363900000000 ]  - [   0.0042499600000000, -0.0033245300000000,  0.0059401600000000 ]  - [   0.0002296200000000,  0.0054207900000000,  0.0026080000000000 ]  - [  -0.0030755600000000, -0.0428006800000000,  0.0074911100000000 ]  - [  -0.0002523500000000,  0.0004370800000000,  0.0006321400000000 ]  - [   0.0009758100000000, -0.0016901500000000, -0.0038964400000000 ]  - [  -0.0014656600000000,  0.0025386000000000, -0.0005861800000000 ]  - [  -0.0002391500000000,  0.0004142200000000,  0.0039760200000000 ]  - [   0.0041247400000000,  0.0431439800000000,  0.0107363900000000 ]  - [   0.0007541500000000, -0.0053428300000000,  0.0059401600000000 ]  - [   0.0047127100000000,  0.0135527500000000, -0.0003110600000000 ]  - [  -0.0007828200000000, -0.0019782100000000, -0.0046389900000000 ]  - [   0.0007924600000000,  0.0020068300000000, -0.0066233200000000 ]  - [  -0.0047204800000000, -0.0135907300000000, -0.0023975700000000 ]  - [  -0.0021342000000000,  0.0003171200000000, -0.0066233200000000 ]  - [   0.0141301600000000, -0.0027073100000000, -0.0023975700000000 ]  - [  -0.0140933800000000,  0.0026950500000000, -0.0003110600000000 ]  - [   0.0021045900000000, -0.0003111700000000, -0.0046389900000000 ]  - [   0.0004285400000000,  0.0000360000000000,  0.0071305900000000 ]  - [   0.0003732200000000, -0.0000018100000000, -0.0028704700000000 ]  - [  -0.0001610200000000,  0.0002788900000000,  0.0067876200000000 ]  - [  -0.0001894700000000,  0.0003281700000000, -0.0028963400000000 ]  - [   0.0013502400000000,  0.0002822400000000, -0.0016211300000000 ]  - [  -0.0020816000000000, -0.0015533800000000, -0.0016430700000000 ]  - [  -0.0009195500000000, -0.0010282200000000, -0.0016211300000000 ]  - [   0.0023860700000000,  0.0010260200000000, -0.0016430700000000 ]  - [  -0.0002454500000000, -0.0003531300000000,  0.0071305900000000 ]  - [  -0.0001850400000000, -0.0003241200000000, -0.0028704700000000 ]  - [  -0.0015005100000000,  0.0025989600000000, -0.0013894600000000 ]  - [   0.0007619300000000, -0.0013197100000000, -0.0014107300000000 ]  - [  -0.0286564000000000, -0.0851544800000000,  0.0285051700000000 ]  - [  -0.0383569900000000, -0.0614029600000000, -0.0074797500000000 ]  - [  -0.0327575200000000,  0.0567376900000000, -0.0580013400000000 ]  - [  -0.0375264700000000,  0.0649977500000000,  0.0295724600000000 ]  - [  -0.0347821200000000,  0.0602444000000000,  0.0571539500000000 ]  - [  -0.0397069900000000,  0.0687745300000000, -0.0383527200000000 ]  - [   0.0880741500000000, -0.0177600700000000,  0.0285051700000000 ]  - [   0.0723550100000000,  0.0025166500000000, -0.0074797500000000 ]  - [  -0.0341025300000000, -0.0641591700000000, -0.0269179000000000 ]  - [  -0.0437930700000000, -0.0403922300000000,  0.0088928800000000 ]  - [   0.0726147400000000, -0.0025459300000000, -0.0269179000000000 ]  - [   0.0568772300000000,  0.0177298000000000,  0.0088928800000000 ]- atom:    7  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0400386700000000, -0.0649369400000000,  0.0021724500000000 ]  - [   0.0376202900000000, -0.0644459200000000, -0.0011187700000000 ]  - [  -0.0698605400000000,  0.0079160100000000, -0.0195821600000000 ]  - [  -0.0745487500000000,  0.0002024100000000,  0.0011101100000000 ]  - [   0.0378166200000000,  0.0650924800000000,  0.0003194100000000 ]  - [   0.0372214100000000,  0.0646897500000000, -0.0007200500000000 ]  - [  -0.1925123200000000, -0.1725906300000000,  0.0456830200000000 ]  - [   0.0003105500000000, -0.0020261000000000, -0.0010778800000000 ]  - [  -0.0064932500000000,  0.0170448100000000, -0.0020388500000000 ]  - [  -0.0017835600000000,  0.0003125000000000, -0.0010999300000000 ]  - [   0.0502802600000000,  0.0159186500000000, -0.0034039500000000 ]  - [   0.0011027800000000,  0.0013572000000000, -0.0010985000000000 ]  - [   0.0011168100000000, -0.0013675800000000,  0.0009869900000000 ]  - [   0.0013863700000000, -0.0016171500000000,  0.0011361300000000 ]  - [   0.0032559000000000,  0.0007684500000000, -0.0009987100000000 ]  - [   0.0017641500000000,  0.0014227300000000,  0.0020335300000000 ]  - [  -0.0020220200000000, -0.0044131800000000,  0.0001009300000000 ]  - [  -0.0017249000000000, -0.0032718200000000,  0.0016752900000000 ]  - [  -0.0028870600000000,  0.0027751900000000, -0.0013542300000000 ]  - [  -0.0020663400000000,  0.0007937700000000,  0.0013829900000000 ]  - [  -0.0056416900000000,  0.0051221200000000, -0.0007383700000000 ]  - [   0.0003867200000000,  0.0019403200000000, -0.0010850700000000 ]  - [   0.0018301300000000,  0.0009845800000000, -0.0010308400000000 ]  - [  -0.0016940600000000, -0.0000890500000000, -0.0010819300000000 ]  - [  -0.0014638800000000,  0.0001456600000000,  0.0008462600000000 ]  - [  -0.0014334800000000,  0.0000863100000000,  0.0010833900000000 ]  - [  -0.0003037000000000,  0.0023767200000000,  0.0014282300000000 ]  - [  -0.0006901200000000,  0.0024589200000000,  0.0007997900000000 ]  - [   0.0022204400000000, -0.0005876500000000, -0.0009257200000000 ]  - [   0.0011879300000000, -0.0013377600000000, -0.0011032100000000 ]  - [   0.0019111300000000, -0.0016205400000000, -0.0013330700000000 ]  - [   0.0020822300000000, -0.0017866100000000, -0.0020638400000000 ]  - [   0.0012318900000000,  0.0088314300000000, -0.0201738700000000 ]  - [  -0.0001992400000000, -0.0001191200000000,  0.0001415000000000 ]  - [  -0.0002185400000000,  0.0001231700000000,  0.0003204900000000 ]  - [  -0.0000796000000000,  0.0001969100000000, -0.0001577000000000 ]  - [   0.0349212800000000,  0.0607616900000000,  0.0004977400000000 ]  - [   0.0346424100000000,  0.0598702200000000, -0.0003918400000000 ]  - [  -0.0687871600000000,  0.0050433400000000,  0.0161401500000000 ]  - [  -0.0693234400000000,  0.0002257400000000, -0.0024009200000000 ]  - [   0.0375501700000000, -0.0605663400000000, -0.0017968600000000 ]  - [   0.0348389300000000, -0.0597324600000000,  0.0002884900000000 ]  - [   0.0346336700000000, -0.0070162400000000,  0.0032080300000000 ]  - [   0.0004392700000000, -0.0008322300000000,  0.0015660500000000 ]  - [   0.0011704500000000, -0.0002807500000000, -0.0021046000000000 ]  - [   0.0010901800000000, -0.0004276900000000, -0.0012837100000000 ]  - [   0.0019055400000000,  0.0017579800000000, -0.0009440600000000 ]  - [   0.0023843500000000,  0.0020844800000000, -0.0026460000000000 ]  - [   0.0227278600000000,  0.0182659900000000,  0.0030806100000000 ]  - [   0.0002324600000000,  0.0006884500000000,  0.0015196500000000 ]  - [   0.0052249500000000, -0.0013211800000000,  0.0012493900000000 ]  - [   0.0005310500000000, -0.0001247700000000,  0.0015702600000000 ]  - [   0.0015359200000000, -0.0020650000000000,  0.0001439000000000 ]  - [   0.0000946500000000, -0.0003039500000000,  0.0011644300000000 ]  - [   0.0004726900000000, -0.0005291100000000, -0.0008271900000000 ]  - [   0.0004112000000000, -0.0005655900000000, -0.0010797400000000 ]  - [   0.0014701300000000,  0.0017515900000000,  0.0104257800000000 ]  - [   0.0010435800000000,  0.0000457500000000, -0.0023633500000000 ]  - [   0.0988152800000000,  0.0812937300000000, -0.0340269300000000 ]  - [   0.0002530100000000,  0.0002123100000000,  0.0010540300000000 ]  - [   0.0004661300000000,  0.0025607700000000, -0.0021642300000000 ]  - [   0.0005144500000000,  0.0001425000000000,  0.0002406100000000 ]  - [  -0.0005418200000000, -0.0018284500000000, -0.0008255900000000 ]  - [  -0.0002783400000000,  0.0000623600000000,  0.0001916700000000 ]  - [   0.0005934000000000,  0.0008537200000000, -0.0013520800000000 ]  - [  -0.0003467100000000, -0.0005508400000000,  0.0000489900000000 ]  - [  -0.0004813300000000,  0.0030163900000000,  0.0027334200000000 ]  - [   0.0008842600000000,  0.0000863500000000, -0.0001251500000000 ]  - [   0.0011981700000000,  0.0006290200000000,  0.0003287400000000 ]  - [  -0.0001015800000000, -0.0002338900000000,  0.0001535900000000 ]  - [  -0.0008531900000000, -0.0016305400000000,  0.0003356900000000 ]  - [  -0.0003550400000000,  0.0003993500000000,  0.0000171400000000 ]  - [  -0.0456459100000000, -0.0730344000000000,  0.0103714900000000 ]  - [  -0.0365249500000000, -0.0627597500000000,  0.0105823100000000 ]  - [  -0.0399552000000000,  0.0634605400000000, -0.0078598000000000 ]  - [  -0.0394047700000000,  0.0631040400000000, -0.0119053300000000 ]  - [  -0.0766863900000000,  0.0733392000000000,  0.0125426900000000 ]  - [  -0.0367861200000000,  0.0627995300000000,  0.0103612300000000 ]  - [   0.0972944500000000,  0.0173988300000000,  0.0110427600000000 ]  - [   0.0721830000000000, -0.0000125100000000,  0.0106143800000000 ]  - [  -0.0374618000000000, -0.0646277100000000, -0.0096440500000000 ]  - [  -0.0385823600000000, -0.0632487500000000, -0.0101850900000000 ]  - [   0.0717861500000000,  0.0009730800000000, -0.0184999300000000 ]  - [   0.0736658400000000,  0.0005151700000000,  0.0019193700000000 ]- atom:    7  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0343549700000000, -0.0639148400000000, -0.0022251800000000 ]  - [   0.0367754700000000, -0.0644060400000000,  0.0011194300000000 ]  - [  -0.0789174400000000, -0.0078379100000000,  0.0193452900000000 ]  - [  -0.0742398900000000, -0.0001995200000000, -0.0011179400000000 ]  - [   0.0365756100000000,  0.0637769700000000, -0.0003116300000000 ]  - [   0.0371694700000000,  0.0641650400000000,  0.0007117200000000 ]  - [   0.1946290400000000,  0.1723260800000000, -0.0497928100000000 ]  - [   0.0009034000000000, -0.0013553400000000, -0.0009036200000000 ]  - [   0.0030314000000000, -0.0161065500000000,  0.0000628700000000 ]  - [  -0.0017511900000000,  0.0003258500000000, -0.0008812500000000 ]  - [  -0.0484931900000000, -0.0134529800000000,  0.0014333600000000 ]  - [   0.0012102600000000,  0.0013865400000000, -0.0008853700000000 ]  - [   0.0012022000000000, -0.0013718200000000,  0.0009920600000000 ]  - [   0.0009300500000000, -0.0011215500000000,  0.0008462800000000 ]  - [  -0.0009093500000000,  0.0019654600000000,  0.0029602300000000 ]  - [   0.0005587200000000,  0.0013188600000000, -0.0000502600000000 ]  - [   0.0032220200000000,  0.0010152300000000,  0.0018635200000000 ]  - [   0.0029200400000000, -0.0001313100000000,  0.0003240700000000 ]  - [  -0.0006563200000000, -0.0021150100000000,  0.0033164800000000 ]  - [  -0.0014666300000000, -0.0001452800000000,  0.0006039500000000 ]  - [   0.0068201900000000, -0.0018460500000000, -0.0012451400000000 ]  - [   0.0008331300000000,  0.0014345100000000, -0.0008988300000000 ]  - [  -0.0053806900000000, -0.0016974400000000, -0.0009453700000000 ]  - [  -0.0018409200000000, -0.0005490600000000, -0.0008990700000000 ]  - [  -0.0020721600000000, -0.0007873100000000,  0.0011342900000000 ]  - [  -0.0021042600000000, -0.0007280800000000,  0.0008962100000000 ]  - [   0.0015190700000000,  0.0010004300000000,  0.0005551700000000 ]  - [   0.0019008500000000,  0.0009199600000000,  0.0011795400000000 ]  - [   0.0001043600000000, -0.0021386000000000, -0.0010531300000000 ]  - [   0.0011312800000000, -0.0014036800000000, -0.0008782900000000 ]  - [  -0.0024040300000000,  0.0007763100000000, -0.0020006100000000 ]  - [  -0.0025682500000000,  0.0009385700000000, -0.0012735200000000 ]  - [  -0.0010991400000000, -0.0088008500000000,  0.0200314500000000 ]  - [   0.0002000700000000,  0.0001188300000000, -0.0001413100000000 ]  - [   0.0002192100000000, -0.0001264300000000, -0.0003179600000000 ]  - [   0.0000793300000000, -0.0001975100000000,  0.0001543200000000 ]  - [   0.0341072900000000,  0.0588233500000000, -0.0004979000000000 ]  - [   0.0343871000000000,  0.0596952700000000,  0.0003873100000000 ]  - [  -0.0693581500000000, -0.0050416400000000, -0.0160420400000000 ]  - [  -0.0687417100000000, -0.0002240700000000,  0.0023828500000000 ]  - [   0.0314869900000000, -0.0590027300000000,  0.0018575100000000 ]  - [   0.0341925200000000, -0.0598322300000000, -0.0003007900000000 ]  - [  -0.0346965300000000,  0.0060970400000000,  0.0001744200000000 ]  - [  -0.0009215000000000, -0.0000113000000000,  0.0017664500000000 ]  - [  -0.0001949800000000,  0.0002899700000000, -0.0012300200000000 ]  - [  -0.0001177500000000,  0.0004377300000000, -0.0020514600000000 ]  - [  -0.0023884200000000, -0.0009125000000000, -0.0023904100000000 ]  - [  -0.0028469900000000, -0.0012310500000000, -0.0006946800000000 ]  - [  -0.0229501400000000, -0.0172128800000000,  0.0002665900000000 ]  - [  -0.0007154100000000,  0.0001559400000000,  0.0018140800000000 ]  - [  -0.0042212300000000,  0.0014199600000000,  0.0020847700000000 ]  - [   0.0004416200000000,  0.0001261000000000,  0.0017638200000000 ]  - [  -0.0015507900000000,  0.0021212400000000,  0.0018904400000000 ]  - [  -0.0000962100000000,  0.0003095200000000,  0.0008777800000000 ]  - [  -0.0004716100000000,  0.0005342200000000, -0.0012089100000000 ]  - [  -0.0004084300000000,  0.0005699600000000, -0.0009588100000000 ]  - [  -0.0014549900000000, -0.0017408700000000, -0.0123379700000000 ]  - [  -0.0010464400000000, -0.0000470200000000,  0.0003100500000000 ]  - [  -0.1013149000000000, -0.0864271400000000,  0.0381095200000000 ]  - [  -0.0002453500000000, -0.0002102600000000,  0.0009870000000000 ]  - [   0.0002215300000000, -0.0025174600000000,  0.0021114900000000 ]  - [   0.0002352200000000, -0.0001411700000000, -0.0002382600000000 ]  - [   0.0001590300000000,  0.0024754000000000,  0.0008226300000000 ]  - [  -0.0000982800000000,  0.0005861900000000, -0.0001890300000000 ]  - [  -0.0012803900000000, -0.0021453200000000,  0.0013827500000000 ]  - [  -0.0003885900000000, -0.0007241400000000, -0.0000489500000000 ]  - [   0.0019210000000000, -0.0030061700000000, -0.0027209200000000 ]  - [   0.0005876300000000, -0.0000863000000000,  0.0001257100000000 ]  - [  -0.0015113200000000, -0.0013183200000000, -0.0003801300000000 ]  - [  -0.0002718500000000, -0.0004156100000000, -0.0001506900000000 ]  - [   0.0001080900000000,  0.0028983700000000, -0.0003364100000000 ]  - [  -0.0003821000000000,  0.0008747400000000, -0.0000164100000000 ]  - [  -0.0268418200000000, -0.0527253800000000,  0.0091137700000000 ]  - [  -0.0359426500000000, -0.0627599400000000,  0.0089057300000000 ]  - [  -0.0325316700000000,  0.0620554400000000, -0.0116511600000000 ]  - [  -0.0330731500000000,  0.0624190100000000, -0.0075339900000000 ]  - [   0.0041729400000000,  0.0522024800000000,  0.0069228300000000 ]  - [  -0.0356843100000000,  0.0627180200000000,  0.0091262200000000 ]  - [   0.0490301400000000, -0.0154491700000000,  0.0086466300000000 ]  - [   0.0727500000000000,  0.0000107900000000,  0.0088759100000000 ]  - [  -0.0350014300000000, -0.0609163100000000, -0.0098268200000000 ]  - [  -0.0338976400000000, -0.0622912800000000, -0.0092975200000000 ]  - [   0.0731616700000000, -0.0009650100000000, -0.0009911100000000 ]  - [   0.0712973100000000, -0.0005009300000000, -0.0213208500000000 ]- atom:    7  displacement:    [  -0.0050000000038040,  0.0086602540356482,  0.0000000000000000 ]  forces:  - [   0.0368840300000000, -0.0644347000000000,  0.0007145200000000 ]  - [   0.0373880500000000, -0.0644428300000000, -0.0004601400000000 ]  - [  -0.0697977700000000,  0.0000591900000000, -0.0075574200000000 ]  - [  -0.0742848100000000,  0.0000473500000000,  0.0009627800000000 ]  - [   0.0368633700000000,  0.0659761800000000,  0.0024302700000000 ]  - [   0.0371689400000000,  0.0645783000000000, -0.0004866600000000 ]  - [  -0.0514111500000000, -0.1318264800000000,  0.0274859200000000 ]  - [   0.0004640100000000, -0.0018744400000000, -0.0010080300000000 ]  - [   0.0066222000000000,  0.0383849300000000, -0.0028700100000000 ]  - [  -0.0017508400000000,  0.0002653500000000, -0.0010262600000000 ]  - [  -0.0025121900000000, -0.0062711400000000, -0.0010179000000000 ]  - [   0.0011562100000000,  0.0013523800000000, -0.0010408700000000 ]  - [   0.0007014600000000, -0.0011315300000000,  0.0010407900000000 ]  - [   0.0007789500000000, -0.0007718800000000,  0.0011108000000000 ]  - [   0.0025069700000000,  0.0008576800000000, -0.0002735100000000 ]  - [   0.0011972700000000,  0.0010485500000000,  0.0009459100000000 ]  - [  -0.0004346900000000, -0.0033431800000000,  0.0005944500000000 ]  - [   0.0004075900000000, -0.0029676800000000,  0.0011323500000000 ]  - [  -0.0020012900000000,  0.0010647200000000,  0.0000794200000000 ]  - [  -0.0015105200000000,  0.0005719500000000,  0.0017476600000000 ]  - [   0.0007290900000000,  0.0160727200000000,  0.0002325800000000 ]  - [   0.0005019400000000,  0.0018183000000000, -0.0010160300000000 ]  - [  -0.0031185200000000,  0.0030772800000000, -0.0010443200000000 ]  - [  -0.0017461500000000, -0.0002231900000000, -0.0010286800000000 ]  - [  -0.0017278500000000,  0.0000536000000000,  0.0010339100000000 ]  - [  -0.0020307500000000, -0.0000848500000000,  0.0011952200000000 ]  - [   0.0004704400000000,  0.0019907400000000,  0.0013446700000000 ]  - [   0.0005932200000000,  0.0021216000000000,  0.0004544500000000 ]  - [  -0.0023883400000000,  0.0005127400000000, -0.0011295200000000 ]  - [   0.0011077300000000, -0.0013556900000000, -0.0010247300000000 ]  - [   0.0005840900000000, -0.0013795400000000, -0.0017319600000000 ]  - [   0.0004545000000000, -0.0012854200000000, -0.0016751300000000 ]  - [   0.0063910400000000, -0.0007065300000000, -0.0099689900000000 ]  - [  -0.0000108400000000, -0.0001648500000000,  0.0000772700000000 ]  - [  -0.0008102800000000,  0.0010519900000000,  0.0013258600000000 ]  - [  -0.0000985900000000,  0.0001300200000000, -0.0000888000000000 ]  - [   0.0342574500000000,  0.0613560200000000, -0.0022011200000000 ]  - [   0.0344815900000000,  0.0598935200000000,  0.0003025700000000 ]  - [  -0.0642749500000000,  0.0004173900000000,  0.0091824300000000 ]  - [  -0.0690208700000000,  0.0000244400000000, -0.0009886300000000 ]  - [   0.0344678600000000, -0.0597004600000000, -0.0002237400000000 ]  - [   0.0345586800000000, -0.0597704300000000, -0.0000130700000000 ]  - [  -0.0082998600000000, -0.0057629900000000,  0.0013126300000000 ]  - [   0.0000901000000000, -0.0006299200000000,  0.0016259800000000 ]  - [   0.0002537300000000,  0.0003097200000000, -0.0016247900000000 ]  - [   0.0001908400000000,  0.0005021200000000, -0.0016547600000000 ]  - [   0.0012783100000000,  0.0013631900000000, -0.0013040800000000 ]  - [   0.0011962500000000,  0.0013656200000000, -0.0019655000000000 ]  - [   0.0118253200000000,  0.0120476800000000,  0.0021829500000000 ]  - [   0.0000919400000000,  0.0006165000000000,  0.0016286100000000 ]  - [  -0.0007482900000000,  0.0029491200000000,  0.0015113900000000 ]  - [   0.0004951300000000,  0.0000649200000000,  0.0016410800000000 ]  - [   0.0066053600000000, -0.0059762600000000, -0.0008765400000000 ]  - [   0.0000942600000000, -0.0001424800000000,  0.0010910400000000 ]  - [   0.0004366600000000, -0.0007520900000000, -0.0017794100000000 ]  - [   0.0005616200000000, -0.0008269600000000, -0.0008769100000000 ]  - [   0.0008710800000000,  0.0009286700000000,  0.0044826800000000 ]  - [  -0.0003140400000000,  0.0009256000000000, -0.0015679200000000 ]  - [   0.0257162600000000,  0.0788621900000000, -0.0206165700000000 ]  - [   0.0000950500000000,  0.0001580900000000,  0.0010297300000000 ]  - [   0.0008379000000000,  0.0008451400000000,  0.0007976400000000 ]  - [   0.0004608300000000,  0.0000682100000000,  0.0000124400000000 ]  - [  -0.0013007200000000, -0.0003066400000000, -0.0000925400000000 ]  - [  -0.0002532700000000,  0.0001864000000000,  0.0000696400000000 ]  - [   0.0020318100000000, -0.0014781000000000,  0.0027129200000000 ]  - [  -0.0003400300000000, -0.0005639400000000, -0.0001005800000000 ]  - [   0.0025202300000000, -0.0000299100000000, -0.0019110500000000 ]  - [   0.0008258500000000,  0.0000137200000000,  0.0001023800000000 ]  - [   0.0016963400000000, -0.0006480700000000, -0.0022552200000000 ]  - [  -0.0001441800000000, -0.0002628500000000,  0.0001284800000000 ]  - [  -0.0013624400000000, -0.0001970200000000,  0.0000105100000000 ]  - [  -0.0004159700000000,  0.0005439100000000,  0.0000132300000000 ]  - [  -0.0360943300000000, -0.0814749900000000,  0.0113089900000000 ]  - [  -0.0363825400000000, -0.0628611100000000,  0.0098913300000000 ]  - [  -0.0376126300000000,  0.0631588800000000, -0.0093237100000000 ]  - [  -0.0363746300000000,  0.0630340300000000, -0.0101604900000000 ]  - [  -0.0313530900000000,  0.0603636800000000,  0.0087308300000000 ]  - [  -0.0364947300000000,  0.0627413800000000,  0.0100834600000000 ]  - [   0.0659718300000000,  0.0170211500000000,  0.0097455400000000 ]  - [   0.0722488200000000, -0.0000130300000000,  0.0098923300000000 ]  - [  -0.0368621700000000, -0.0644032600000000, -0.0079734000000000 ]  - [  -0.0367649100000000, -0.0642415000000000, -0.0117998000000000 ]  - [   0.0711968300000000,  0.0008234900000000, -0.0146449400000000 ]  - [   0.0717191900000000,  0.0006855500000000, -0.0049959400000000 ]- atom:    7  displacement:    [   0.0050000000038040, -0.0086602540356482,  0.0000000000000000 ]  forces:  - [   0.0375109000000000, -0.0644166300000000, -0.0006957300000000 ]  - [   0.0370057500000000, -0.0644070600000000,  0.0004582700000000 ]  - [  -0.0789876300000000, -0.0001019300000000,  0.0075825300000000 ]  - [  -0.0744969700000000, -0.0000470200000000, -0.0009700000000000 ]  - [   0.0375255100000000,  0.0628693000000000, -0.0024393000000000 ]  - [   0.0372219800000000,  0.0642730900000000,  0.0004876800000000 ]  - [   0.0536716800000000,  0.1285517000000000, -0.0296958000000000 ]  - [   0.0007473300000000, -0.0015103100000000, -0.0009708000000000 ]  - [  -0.0103409400000000, -0.0382164200000000,  0.0008846100000000 ]  - [  -0.0017869000000000,  0.0003789800000000, -0.0009525600000000 ]  - [   0.0049269300000000,  0.0090202900000000, -0.0009759200000000 ]  - [   0.0011604500000000,  0.0013916200000000, -0.0009406400000000 ]  - [   0.0016239800000000, -0.0016096400000000,  0.0009402900000000 ]  - [   0.0015426200000000, -0.0019705800000000,  0.0008624300000000 ]  - [  -0.0001802700000000,  0.0018814700000000,  0.0022459900000000 ]  - [   0.0011181300000000,  0.0016943200000000,  0.0010352500000000 ]  - [   0.0016432700000000, -0.0000450700000000,  0.0013753900000000 ]  - [   0.0008035900000000, -0.0004155600000000,  0.0008481400000000 ]  - [  -0.0015440600000000, -0.0004057000000000,  0.0018890200000000 ]  - [  -0.0020301700000000,  0.0000735400000000,  0.0002268400000000 ]  - [   0.0005319500000000, -0.0125226300000000, -0.0022091500000000 ]  - [   0.0007159100000000,  0.0015602100000000, -0.0009648100000000 ]  - [  -0.0004137800000000, -0.0036884000000000, -0.0009320500000000 ]  - [  -0.0017910200000000, -0.0004195200000000, -0.0009500100000000 ]  - [  -0.0018070500000000, -0.0006955200000000,  0.0009452500000000 ]  - [  -0.0015029100000000, -0.0005559700000000,  0.0007811000000000 ]  - [   0.0007501700000000,  0.0013866400000000,  0.0006342500000000 ]  - [   0.0006294700000000,  0.0012561500000000,  0.0015233800000000 ]  - [   0.0047111500000000, -0.0032553500000000, -0.0008439700000000 ]  - [   0.0012179800000000, -0.0013850900000000, -0.0009541600000000 ]  - [  -0.0010735000000000,  0.0005381000000000, -0.0016051200000000 ]  - [  -0.0009407900000000,  0.0004430500000000, -0.0016602200000000 ]  - [  -0.0063980300000000,  0.0007831200000000,  0.0098921300000000 ]  - [   0.0000101900000000,  0.0001663500000000, -0.0000793400000000 ]  - [   0.0008140300000000, -0.0010495600000000, -0.0013151500000000 ]  - [   0.0001003400000000, -0.0001311800000000,  0.0000852900000000 ]  - [   0.0347684100000000,  0.0582031100000000,  0.0022152300000000 ]  - [   0.0345474000000000,  0.0596699200000000, -0.0003088100000000 ]  - [  -0.0737731700000000, -0.0004597000000000, -0.0091875400000000 ]  - [  -0.0690390200000000, -0.0000256300000000,  0.0009901400000000 ]  - [   0.0345676600000000, -0.0598644600000000,  0.0002104000000000 ]  - [   0.0344718700000000, -0.0597928900000000,  0.0000107300000000 ]  - [   0.0077353300000000,  0.0049810300000000,  0.0020226600000000 ]  - [  -0.0005738300000000, -0.0002141400000000,  0.0017093600000000 ]  - [   0.0007176500000000, -0.0003153400000000, -0.0017103500000000 ]  - [   0.0007776600000000, -0.0005079100000000, -0.0016838900000000 ]  - [  -0.0017740800000000, -0.0005226000000000, -0.0020343100000000 ]  - [  -0.0016891500000000, -0.0005268700000000, -0.0013695300000000 ]  - [  -0.0123950400000000, -0.0112146300000000,  0.0011547200000000 ]  - [  -0.0005787300000000,  0.0002275600000000,  0.0017078400000000 ]  - [   0.0017034200000000, -0.0029953400000000,  0.0018310800000000 ]  - [   0.0004778200000000, -0.0000669800000000,  0.0016948800000000 ]  - [  -0.0066022300000000,  0.0059558200000000,  0.0029090500000000 ]  - [  -0.0000979500000000,  0.0001491300000000,  0.0009542600000000 ]  - [  -0.0004455900000000,  0.0007601500000000, -0.0002726000000000 ]  - [  -0.0005697500000000,  0.0008339700000000, -0.0011597000000000 ]  - [  -0.0008588700000000, -0.0009201000000000, -0.0064721600000000 ]  - [   0.0003238000000000, -0.0009302500000000, -0.0004730100000000 ]  - [  -0.0268296000000000, -0.0788285400000000,  0.0230131300000000 ]  - [  -0.0000869000000000, -0.0001576800000000,  0.0010152200000000 ]  - [  -0.0001532000000000, -0.0007906200000000, -0.0008624000000000 ]  - [   0.0002890200000000, -0.0000669900000000, -0.0000117900000000 ]  - [   0.0009248900000000,  0.0009548400000000,  0.0000924500000000 ]  - [  -0.0001226600000000,  0.0004635200000000, -0.0000683400000000 ]  - [  -0.0027684400000000,  0.0001854600000000, -0.0027144700000000 ]  - [  -0.0003969600000000, -0.0007124800000000,  0.0001026700000000 ]  - [  -0.0010604000000000,  0.0000506600000000,  0.0019211300000000 ]  - [   0.0006461100000000, -0.0000134000000000, -0.0001005900000000 ]  - [  -0.0020430000000000, -0.0000433000000000,  0.0022259100000000 ]  - [  -0.0002309000000000, -0.0003876400000000, -0.0001280100000000 ]  - [   0.0006237500000000,  0.0014688800000000, -0.0000119200000000 ]  - [  -0.0003208800000000,  0.0007315300000000, -0.0000124400000000 ]  - [  -0.0363311300000000, -0.0439193900000000,  0.0081397000000000 ]  - [  -0.0360843300000000, -0.0626545900000000,  0.0095899800000000 ]  - [  -0.0348642600000000,  0.0623633200000000, -0.0101410700000000 ]  - [  -0.0360940000000000,  0.0624863000000000, -0.0093247800000000 ]  - [  -0.0411112900000000,  0.0651570600000000,  0.0107358500000000 ]  - [  -0.0359736600000000,  0.0627766700000000,  0.0093974200000000 ]  - [   0.0792511000000000, -0.0170311100000000,  0.0097577700000000 ]  - [   0.0726833600000000,  0.0000147100000000,  0.0095872800000000 ]  - [  -0.0355941100000000, -0.0611180900000000, -0.0115131300000000 ]  - [  -0.0356914800000000, -0.0612715600000000, -0.0076612000000000 ]  - [   0.0737419300000000, -0.0008194300000000, -0.0048090900000000 ]  - [   0.0732141600000000, -0.0006807900000000, -0.0145008100000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0371382300000000, -0.0643661300000000, -0.0019623600000000 ]  - [   0.0370056400000000, -0.0643848200000000,  0.0025569700000000 ]  - [  -0.0822062500000000, -0.0080995600000000,  0.0060107300000000 ]  - [  -0.0741130700000000,  0.0003816300000000,  0.0047827300000000 ]  - [   0.0374066400000000,  0.0644003000000000, -0.0022928300000000 ]  - [   0.0373592200000000,  0.0641941700000000,  0.0029157200000000 ]  - [   0.0486328400000000,  0.0591850800000000, -0.0802610500000000 ]  - [   0.0005226600000000, -0.0017587400000000, -0.0001710500000000 ]  - [  -0.0017768400000000,  0.0031643200000000, -0.0079749900000000 ]  - [  -0.0018159400000000,  0.0004667300000000, -0.0003242000000000 ]  - [   0.0041235200000000,  0.0018676200000000, -0.0079773200000000 ]  - [   0.0012973000000000,  0.0013307500000000, -0.0003258400000000 ]  - [   0.0012046200000000, -0.0014021200000000,  0.0010240200000000 ]  - [   0.0014219300000000, -0.0013601900000000,  0.0015114300000000 ]  - [  -0.0021006700000000,  0.0022029200000000,  0.0032203100000000 ]  - [   0.0022962500000000,  0.0015854100000000,  0.0016779900000000 ]  - [   0.0014956200000000, -0.0007215200000000,  0.0032916100000000 ]  - [  -0.0000579400000000, -0.0022332000000000,  0.0039914800000000 ]  - [  -0.0004999400000000, -0.0027093000000000,  0.0032192800000000 ]  - [  -0.0017219600000000,  0.0014866700000000,  0.0016763000000000 ]  - [   0.0008700300000000,  0.0001089000000000, -0.0038069400000000 ]  - [   0.0005190800000000,  0.0017677700000000, -0.0002923400000000 ]  - [  -0.0018184200000000, -0.0003973800000000, -0.0018120400000000 ]  - [  -0.0018050800000000, -0.0004437400000000, -0.0004453700000000 ]  - [  -0.0018107700000000, -0.0001758500000000,  0.0009699700000000 ]  - [  -0.0019720700000000, -0.0005430000000000,  0.0013149200000000 ]  - [   0.0001740800000000,  0.0023485700000000,  0.0014157900000000 ]  - [   0.0008026700000000,  0.0009601300000000,  0.0016682800000000 ]  - [   0.0012301000000000, -0.0014912200000000, -0.0021203900000000 ]  - [   0.0013039000000000, -0.0013266500000000, -0.0003925700000000 ]  - [   0.0010218500000000, -0.0009637200000000, -0.0012969600000000 ]  - [  -0.0016239900000000,  0.0001421800000000, -0.0011226900000000 ]  - [  -0.0115551600000000, -0.0141737700000000,  0.0226952600000000 ]  - [   0.0001820300000000,  0.0002161900000000,  0.0017826900000000 ]  - [   0.0001165100000000,  0.0000636200000000, -0.0016213400000000 ]  - [   0.0000464200000000, -0.0000903200000000,  0.0012872900000000 ]  - [   0.0345273400000000,  0.0593677500000000, -0.0029716400000000 ]  - [   0.0344794900000000,  0.0599132100000000,  0.0025154300000000 ]  - [  -0.0608996300000000,  0.0095574100000000,  0.0101072000000000 ]  - [  -0.0693815500000000, -0.0003536400000000,  0.0045854900000000 ]  - [   0.0342633500000000, -0.0596357800000000, -0.0030898400000000 ]  - [   0.0345726900000000, -0.0598760800000000,  0.0023079700000000 ]  - [   0.0001893800000000, -0.0000216600000000, -0.0017125900000000 ]  - [  -0.0003415600000000, -0.0004414700000000,  0.0023271200000000 ]  - [   0.0003150300000000, -0.0001399300000000, -0.0015457900000000 ]  - [   0.0006428300000000,  0.0000769100000000, -0.0013759700000000 ]  - [   0.0018325600000000,  0.0014646000000000, -0.0008532300000000 ]  - [  -0.0022545100000000, -0.0009342400000000, -0.0007572200000000 ]  - [  -0.0004914100000000, -0.0003409400000000,  0.0018092900000000 ]  - [  -0.0003487100000000,  0.0004398400000000,  0.0023699700000000 ]  - [   0.0003098300000000,  0.0002219700000000,  0.0006691500000000 ]  - [   0.0005460500000000, -0.0000470400000000,  0.0022133300000000 ]  - [  -0.0004502400000000,  0.0003779400000000,  0.0034764800000000 ]  - [  -0.0000113100000000, -0.0000034500000000, -0.0002317500000000 ]  - [   0.0002844600000000, -0.0005557000000000, -0.0004585500000000 ]  - [  -0.0001841900000000,  0.0005727400000000, -0.0022265400000000 ]  - [  -0.0004593000000000, -0.0006894900000000, -0.0128749200000000 ]  - [  -0.0013026200000000, -0.0015409000000000, -0.0037914500000000 ]  - [  -0.0437847700000000, -0.0541590100000000,  0.0537232400000000 ]  - [   0.0000070900000000,  0.0000000900000000, -0.0005998800000000 ]  - [  -0.0007837700000000,  0.0008985600000000,  0.0005495900000000 ]  - [   0.0004933600000000, -0.0001367700000000, -0.0006050400000000 ]  - [  -0.0003205500000000,  0.0004208500000000,  0.0004220300000000 ]  - [  -0.0000847800000000,  0.0003574000000000, -0.0005812000000000 ]  - [  -0.0025405400000000,  0.0008270900000000, -0.0001496100000000 ]  - [  -0.0002674800000000, -0.0007338600000000, -0.0005671100000000 ]  - [   0.0026263200000000, -0.0017288000000000,  0.0001066200000000 ]  - [   0.0005782000000000,  0.0000600700000000, -0.0005774000000000 ]  - [   0.0013453800000000, -0.0017642200000000,  0.0000222800000000 ]  - [  -0.0003574100000000, -0.0002461900000000, -0.0005931100000000 ]  - [   0.0001689300000000,  0.0009649900000000,  0.0007548700000000 ]  - [  -0.0004000100000000,  0.0006828000000000, -0.0004680300000000 ]  - [  -0.0365666500000000, -0.0626921300000000,  0.0144587000000000 ]  - [  -0.0364049800000000, -0.0630506900000000,  0.0058032800000000 ]  - [  -0.0349492500000000,  0.0626549800000000, -0.0096192000000000 ]  - [  -0.0359645400000000,  0.0625608200000000, -0.0104959400000000 ]  - [  -0.0360542700000000,  0.0624192100000000,  0.0140904300000000 ]  - [  -0.0363518900000000,  0.0630844300000000,  0.0061586200000000 ]  - [   0.0783787800000000,  0.0063246400000000,  0.0280923100000000 ]  - [   0.0730688400000000, -0.0000474500000000,  0.0039780200000000 ]  - [  -0.0381800200000000, -0.0609940400000000, -0.0099364600000000 ]  - [  -0.0351027700000000, -0.0631121200000000, -0.0103261300000000 ]  - [   0.0692958100000000, -0.0016540900000000, -0.0183562200000000 ]  - [   0.0750199800000000,  0.0024196100000000, -0.0185891300000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0372563500000000, -0.0644879000000000,  0.0019896300000000 ]  - [   0.0373864400000000, -0.0644671200000000, -0.0025548800000000 ]  - [  -0.0665217400000000,  0.0081611500000000, -0.0059785300000000 ]  - [  -0.0746710500000000, -0.0003760400000000, -0.0047811700000000 ]  - [   0.0369803000000000,  0.0644536300000000,  0.0023311700000000 ]  - [   0.0370348200000000,  0.0646562800000000, -0.0029152300000000 ]  - [  -0.0468274700000000, -0.0619526700000000,  0.0786718300000000 ]  - [   0.0006920100000000, -0.0016212500000000, -0.0018094300000000 ]  - [  -0.0017372000000000, -0.0024391400000000,  0.0059816700000000 ]  - [  -0.0017180400000000,  0.0001693100000000, -0.0016555400000000 ]  - [  -0.0017264100000000,  0.0009121000000000,  0.0059793900000000 ]  - [   0.0010121700000000,  0.0014133100000000, -0.0016568900000000 ]  - [   0.0011165300000000, -0.0013397500000000,  0.0009518400000000 ]  - [   0.0008910600000000, -0.0013827500000000,  0.0004683900000000 ]  - [   0.0043873000000000,  0.0005494700000000, -0.0012223700000000 ]  - [   0.0000027300000000,  0.0011559000000000,  0.0003022100000000 ]  - [  -0.0002717000000000, -0.0026467400000000, -0.0013081600000000 ]  - [   0.0012899500000000, -0.0011292300000000, -0.0020496700000000 ]  - [  -0.0030216900000000,  0.0033236300000000, -0.0012232000000000 ]  - [  -0.0018131900000000, -0.0008618400000000,  0.0003007700000000 ]  - [   0.0003585400000000,  0.0032263700000000,  0.0018263700000000 ]  - [   0.0007006700000000,  0.0016069600000000, -0.0016894500000000 ]  - [  -0.0017090700000000, -0.0002410900000000, -0.0001685700000000 ]  - [  -0.0017293600000000, -0.0001940700000000, -0.0015342100000000 ]  - [  -0.0017247700000000, -0.0004643000000000,  0.0010060100000000 ]  - [  -0.0015604700000000, -0.0000943000000000,  0.0006667100000000 ]  - [   0.0010425700000000,  0.0010296300000000,  0.0005631800000000 ]  - [   0.0004191100000000,  0.0024183200000000,  0.0003137700000000 ]  - [   0.0010799100000000, -0.0012517400000000,  0.0001416900000000 ]  - [   0.0010152100000000, -0.0014147000000000, -0.0015871800000000 ]  - [  -0.0015076000000000,  0.0001201600000000, -0.0020412100000000 ]  - [   0.0011443600000000, -0.0009843700000000, -0.0022093800000000 ]  - [   0.0113182700000000,  0.0138817800000000, -0.0223045400000000 ]  - [  -0.0001840700000000, -0.0002183400000000, -0.0017871900000000 ]  - [  -0.0001134900000000, -0.0000642100000000,  0.0016074100000000 ]  - [  -0.0000456900000000,  0.0000893300000000, -0.0012868500000000 ]  - [   0.0344985500000000,  0.0601949600000000,  0.0029281900000000 ]  - [   0.0345498700000000,  0.0596486500000000, -0.0025083000000000 ]  - [  -0.0770670000000000, -0.0094282700000000, -0.0100224200000000 ]  - [  -0.0686763100000000,  0.0003578000000000, -0.0045838400000000 ]  - [   0.0347676200000000, -0.0599299200000000,  0.0030586600000000 ]  - [   0.0344566200000000, -0.0596873000000000, -0.0023041900000000 ]  - [  -0.0007396700000000, -0.0008061400000000,  0.0050405900000000 ]  - [  -0.0001399300000000, -0.0004016200000000,  0.0010077400000000 ]  - [   0.0006574800000000,  0.0001393300000000, -0.0017931500000000 ]  - [   0.0003242400000000, -0.0000758100000000, -0.0019575800000000 ]  - [  -0.0023104800000000, -0.0006179700000000, -0.0024836800000000 ]  - [   0.0017764900000000,  0.0017792600000000, -0.0025747300000000 ]  - [  -0.0000701100000000,  0.0011347500000000,  0.0014876400000000 ]  - [  -0.0001330400000000,  0.0004046100000000,  0.0009659900000000 ]  - [   0.0006483200000000, -0.0002148300000000,  0.0026654400000000 ]  - [   0.0004248800000000,  0.0000451200000000,  0.0011224000000000 ]  - [   0.0004313200000000, -0.0003617000000000, -0.0014140000000000 ]  - [   0.0000089700000000,  0.0000088200000000,  0.0022741500000000 ]  - [  -0.0002871300000000,  0.0005605800000000, -0.0015745900000000 ]  - [   0.0001811900000000, -0.0005683900000000,  0.0001837500000000 ]  - [   0.0004547500000000,  0.0006745000000000,  0.0107571600000000 ]  - [   0.0013230900000000,  0.0015557000000000,  0.0017682400000000 ]  - [   0.0434963800000000,  0.0537949300000000, -0.0523717300000000 ]  - [   0.0000013600000000,  0.0000012900000000,  0.0026449200000000 ]  - [   0.0014992800000000, -0.0008717200000000, -0.0005919400000000 ]  - [   0.0002577300000000,  0.0001358600000000,  0.0006044800000000 ]  - [  -0.0000555400000000,  0.0002324100000000, -0.0004318300000000 ]  - [  -0.0002900700000000,  0.0002932800000000,  0.0005808200000000 ]  - [   0.0017991500000000, -0.0021073500000000,  0.0001655400000000 ]  - [  -0.0004704000000000, -0.0005410100000000,  0.0005690800000000 ]  - [  -0.0011594600000000,  0.0017259000000000, -0.0000877700000000 ]  - [   0.0008954600000000, -0.0000614300000000,  0.0005787200000000 ]  - [  -0.0017078200000000,  0.0010988900000000, -0.0000495700000000 ]  - [  -0.0000193000000000, -0.0004040300000000,  0.0005926100000000 ]  - [  -0.0009038800000000,  0.0003148500000000, -0.0007438100000000 ]  - [  -0.0003365900000000,  0.0005925400000000,  0.0004674700000000 ]  - [  -0.0358283400000000, -0.0628524600000000,  0.0050194800000000 ]  - [  -0.0360641000000000, -0.0624649300000000,  0.0136711200000000 ]  - [  -0.0375049200000000,  0.0628594100000000, -0.0098352700000000 ]  - [  -0.0364979500000000,  0.0629542800000000, -0.0090033700000000 ]  - [  -0.0364276800000000,  0.0631024800000000,  0.0053884400000000 ]  - [  -0.0361151800000000,  0.0624328900000000,  0.0133168500000000 ]  - [   0.0663947600000000, -0.0065161400000000, -0.0086357700000000 ]  - [   0.0718616200000000,  0.0000452500000000,  0.0154974700000000 ]  - [  -0.0342976400000000, -0.0645085900000000, -0.0095126300000000 ]  - [  -0.0373596200000000, -0.0623953900000000, -0.0091783900000000 ]  - [   0.0756265000000000,  0.0016398200000000, -0.0011216800000000 ]  - [   0.0698812900000000, -0.0024489500000000, -0.0009151100000000 ]- atom:   31  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0366206800000000, -0.0645171900000000, -0.0045445300000000 ]  - [   0.0429760500000000, -0.0663446200000000,  0.0392137900000000 ]  - [  -0.0746088700000000,  0.0004434300000000,  0.0047945800000000 ]  - [  -0.0716356600000000, -0.0061804200000000, -0.0354007700000000 ]  - [   0.0369130900000000,  0.0646431000000000, -0.0000011700000000 ]  - [   0.0358664100000000,  0.0655147200000000,  0.0012201700000000 ]  - [   0.0027680600000000,  0.0005113600000000,  0.0002755900000000 ]  - [   0.0029384100000000,  0.0004582300000000, -0.0023810600000000 ]  - [  -0.0013772700000000,  0.0007768300000000, -0.0010259400000000 ]  - [  -0.0011795600000000,  0.0007665500000000, -0.0010087400000000 ]  - [   0.0049809500000000,  0.0009934900000000, -0.0029366900000000 ]  - [   0.0054553300000000,  0.0006743700000000,  0.0011952300000000 ]  - [   0.0042894600000000, -0.0018058300000000,  0.0010964700000000 ]  - [   0.0011340800000000, -0.0014566500000000,  0.0009830300000000 ]  - [   0.0443047300000000, -0.0048296100000000,  0.0002660900000000 ]  - [   0.0019652900000000,  0.0012948500000000,  0.0009552500000000 ]  - [   0.0351362900000000,  0.0090191300000000,  0.0005451400000000 ]  - [   0.0012868300000000, -0.0009156800000000,  0.0010930200000000 ]  - [   0.0014350400000000,  0.0025580400000000,  0.0007190500000000 ]  - [  -0.0017155400000000,  0.0004418900000000,  0.0010625300000000 ]  - [   0.0027518000000000, -0.0013110700000000,  0.0010795000000000 ]  - [   0.0032260300000000, -0.0014903700000000, -0.0030135700000000 ]  - [  -0.0030206700000000, -0.0034930200000000, -0.0020937600000000 ]  - [  -0.0028726000000000, -0.0036678400000000,  0.0001871300000000 ]  - [  -0.0024865700000000, -0.0273468400000000,  0.0008868800000000 ]  - [  -0.0021164100000000, -0.0013279900000000,  0.0009594300000000 ]  - [   0.0233656400000000, -0.0254513300000000,  0.0012164800000000 ]  - [   0.0010801500000000,  0.0010300500000000,  0.0011007300000000 ]  - [   0.0014092100000000, -0.0014023400000000, -0.0007819900000000 ]  - [   0.0013784200000000, -0.0015769900000000, -0.0011409900000000 ]  - [  -0.2060700200000000,  0.0772927500000000, -0.0069327600000000 ]  - [  -0.0028241800000000,  0.0010521800000000, -0.0016255000000000 ]  - [   0.0042886400000000,  0.0013363500000000, -0.0000618600000000 ]  - [   0.0010023400000000,  0.0003231600000000,  0.0004022200000000 ]  - [   0.0006426700000000, -0.0031152900000000,  0.0000588600000000 ]  - [   0.0002094400000000, -0.0010045200000000, -0.0003270800000000 ]  - [   0.0334852500000000,  0.0610597000000000, -0.0013241200000000 ]  - [   0.0342466200000000,  0.0600007500000000,  0.0002443700000000 ]  - [  -0.0630810200000000, -0.0071966200000000,  0.0327475600000000 ]  - [  -0.0687310600000000,  0.0003013300000000, -0.0040315100000000 ]  - [   0.0423564600000000, -0.0640916900000000, -0.0354996500000000 ]  - [   0.0343558500000000, -0.0602909500000000,  0.0044539900000000 ]  - [  -0.0103203100000000,  0.0047893200000000,  0.0019575200000000 ]  - [  -0.0111008900000000,  0.0054776200000000,  0.0017617100000000 ]  - [   0.0145273900000000,  0.0397309300000000, -0.0013191600000000 ]  - [   0.0004506500000000,  0.0012552200000000, -0.0016253500000000 ]  - [  -0.0226043100000000, -0.0181941000000000, -0.0014675300000000 ]  - [  -0.0013833600000000, -0.0001888800000000, -0.0016489300000000 ]  - [  -0.0043277300000000, -0.0016265400000000,  0.0025957300000000 ]  - [  -0.0042349500000000, -0.0016617400000000,  0.0006156100000000 ]  - [   0.0002096900000000,  0.0042620900000000,  0.0005411300000000 ]  - [   0.0003756000000000,  0.0043335600000000,  0.0029021900000000 ]  - [  -0.0008222800000000,  0.0037201100000000,  0.0007667800000000 ]  - [  -0.0009918100000000,  0.0042334300000000,  0.0011343000000000 ]  - [  -0.0032287800000000,  0.0204022900000000, -0.0007555400000000 ]  - [  -0.0001324200000000,  0.0010688200000000, -0.0008630200000000 ]  - [  -0.0250642800000000, -0.0117534600000000, -0.0004012200000000 ]  - [  -0.0009763100000000, -0.0004339500000000, -0.0012609700000000 ]  - [  -0.0042667900000000, -0.0010554900000000,  0.0005251900000000 ]  - [  -0.0045313000000000, -0.0012242500000000,  0.0010467600000000 ]  - [  -0.0002157700000000, -0.0002836700000000, -0.0000454900000000 ]  - [  -0.0030925300000000, -0.0010826000000000, -0.0000086600000000 ]  - [  -0.0002219600000000,  0.0009518000000000, -0.0000210000000000 ]  - [  -0.0006090100000000,  0.0036486500000000, -0.0001533500000000 ]  - [   0.0031874100000000, -0.0006048900000000,  0.0013480500000000 ]  - [  -0.0001414700000000, -0.0007548800000000,  0.0000473200000000 ]  - [  -0.0028924100000000, -0.0009784000000000,  0.0002837200000000 ]  - [   0.0001244100000000, -0.0002639900000000, -0.0000217000000000 ]  - [   0.0000819700000000, -0.0004812900000000, -0.0001381600000000 ]  - [   0.0023113600000000, -0.0024231400000000,  0.0010367500000000 ]  - [  -0.0009662300000000,  0.0039630500000000,  0.0000048600000000 ]  - [  -0.0004381200000000,  0.0012755400000000, -0.0000097400000000 ]  - [  -0.0329549500000000, -0.0651315100000000,  0.0105117300000000 ]  - [  -0.0329447400000000, -0.0652172100000000,  0.0088280900000000 ]  - [   0.0226860600000000,  0.0425283700000000, -0.0071868400000000 ]  - [  -0.0348758900000000,  0.0622355400000000, -0.0098266000000000 ]  - [  -0.0286003200000000,  0.0579140200000000,  0.0323139000000000 ]  - [  -0.0311221000000000,  0.0619886600000000, -0.0148001600000000 ]  - [   0.0804562300000000, -0.0029675100000000, -0.0124849000000000 ]  - [   0.0761182800000000, -0.0032239600000000,  0.0329409900000000 ]  - [  -0.0142527100000000, -0.0825390900000000, -0.0102340000000000 ]  - [  -0.0352382000000000, -0.0633478700000000, -0.0099228400000000 ]  - [   0.0982452600000000,  0.0008511000000000, -0.0094514200000000 ]  - [   0.0736278700000000, -0.0008670400000000, -0.0101411400000000 ]- atom:   31  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0377566100000000, -0.0643315000000000,  0.0045136100000000 ]  - [   0.0313028500000000, -0.0624916500000000, -0.0388160200000000 ]  - [  -0.0741700100000000, -0.0004482800000000, -0.0047885900000000 ]  - [  -0.0770113900000000,  0.0061141900000000,  0.0354261800000000 ]  - [   0.0374776500000000,  0.0642077000000000,  0.0000116300000000 ]  - [   0.0385125400000000,  0.0633360000000000, -0.0012211700000000 ]  - [  -0.0015513100000000, -0.0038994300000000, -0.0022548100000000 ]  - [  -0.0017178700000000, -0.0038445700000000,  0.0003876800000000 ]  - [  -0.0021526300000000, -0.0001279600000000, -0.0009559600000000 ]  - [  -0.0023497300000000, -0.0001136500000000, -0.0009816200000000 ]  - [  -0.0026296500000000,  0.0017430300000000,  0.0009379900000000 ]  - [  -0.0031049900000000,  0.0020617600000000, -0.0031715300000000 ]  - [  -0.0019739700000000, -0.0008956200000000,  0.0008879100000000 ]  - [   0.0011928300000000, -0.0012838200000000,  0.0010023800000000 ]  - [  -0.0415152200000000,  0.0074715900000000,  0.0017549100000000 ]  - [   0.0003671200000000,  0.0014450000000000,  0.0010322200000000 ]  - [  -0.0342007500000000, -0.0125017700000000,  0.0014742700000000 ]  - [  -0.0000790700000000, -0.0024736700000000,  0.0008914200000000 ]  - [  -0.0049421800000000, -0.0019468900000000,  0.0012658400000000 ]  - [  -0.0018235100000000,  0.0002087000000000,  0.0009217900000000 ]  - [  -0.0015468400000000,  0.0046983600000000, -0.0030644400000000 ]  - [  -0.0020111700000000,  0.0048682300000000,  0.0010182400000000 ]  - [  -0.0005336200000000,  0.0028251900000000,  0.0001094400000000 ]  - [  -0.0006802400000000,  0.0030019800000000, -0.0021736300000000 ]  - [  -0.0011982100000000,  0.0265295400000000,  0.0011014100000000 ]  - [  -0.0014267700000000,  0.0006704200000000,  0.0010254100000000 ]  - [  -0.0223191800000000,  0.0288971900000000,  0.0007940500000000 ]  - [   0.0001273600000000,  0.0023580800000000,  0.0008852100000000 ]  - [   0.0009182800000000, -0.0013313000000000, -0.0011964200000000 ]  - [   0.0009506900000000, -0.0011556100000000, -0.0008507300000000 ]  - [   0.2012125700000000, -0.0788724700000000,  0.0027286200000000 ]  - [   0.0023261300000000, -0.0018935700000000, -0.0017065400000000 ]  - [  -0.0042527800000000, -0.0013461500000000,  0.0000226700000000 ]  - [  -0.0009961400000000, -0.0003235700000000, -0.0004033600000000 ]  - [  -0.0006519400000000,  0.0031250700000000, -0.0000670600000000 ]  - [  -0.0002104400000000,  0.0010008400000000,  0.0003216900000000 ]  - [   0.0355393100000000,  0.0585142800000000,  0.0013196900000000 ]  - [   0.0347814600000000,  0.0595629000000000, -0.0002504600000000 ]  - [  -0.0749095600000000,  0.0071864200000000, -0.0328804200000000 ]  - [  -0.0693247300000000, -0.0003041600000000,  0.0040247100000000 ]  - [   0.0266258500000000, -0.0555091000000000,  0.0351006100000000 ]  - [   0.0346655600000000, -0.0592746700000000, -0.0044252300000000 ]  - [   0.0097909200000000, -0.0056290600000000,  0.0013941500000000 ]  - [   0.0105663300000000, -0.0062991400000000,  0.0015506100000000 ]  - [  -0.0132954500000000, -0.0391610800000000, -0.0020275400000000 ]  - [   0.0005233500000000, -0.0012432100000000, -0.0017087700000000 ]  - [   0.0220717500000000,  0.0188380700000000, -0.0018825600000000 ]  - [   0.0008983300000000,  0.0010345000000000, -0.0016866200000000 ]  - [   0.0038409200000000,  0.0024685800000000,  0.0007492800000000 ]  - [   0.0037427400000000,  0.0025019800000000,  0.0027117700000000 ]  - [   0.0007603200000000, -0.0042321600000000,  0.0027959800000000 ]  - [   0.0005973000000000, -0.0043079300000000,  0.0004348000000000 ]  - [   0.0008330000000000, -0.0037137600000000,  0.0012540600000000 ]  - [   0.0009946100000000, -0.0042200900000000,  0.0009043800000000 ]  - [   0.0032275100000000, -0.0204018200000000, -0.0012606600000000 ]  - [   0.0001347100000000, -0.0010609100000000, -0.0011667900000000 ]  - [   0.0249566000000000,  0.0118360300000000, -0.0015785300000000 ]  - [   0.0009762200000000,  0.0004344500000000, -0.0007712300000000 ]  - [   0.0042405600000000,  0.0010601300000000,  0.0015136400000000 ]  - [   0.0045073700000000,  0.0012269700000000,  0.0009883300000000 ]  - [   0.0009645100000000,  0.0002814600000000,  0.0000447600000000 ]  - [   0.0038336400000000,  0.0010706100000000, -0.0000036000000000 ]  - [  -0.0001549100000000, -0.0002996500000000,  0.0000201400000000 ]  - [   0.0002288200000000, -0.0029791800000000,  0.0001513700000000 ]  - [  -0.0039599000000000, -0.0007795400000000, -0.0014562800000000 ]  - [  -0.0005946800000000, -0.0005214900000000, -0.0000425500000000 ]  - [   0.0043561400000000,  0.0009678000000000, -0.0002708600000000 ]  - [   0.0013453200000000,  0.0002612700000000,  0.0000220000000000 ]  - [  -0.0004564900000000, -0.0001690300000000,  0.0001330100000000 ]  - [  -0.0027255900000000,  0.0017012100000000, -0.0009553400000000 ]  - [   0.0002232200000000, -0.0026700500000000, -0.0000044500000000 ]  - [  -0.0003000300000000,  0.0000020800000000,  0.0000108300000000 ]  - [  -0.0395065800000000, -0.0604040100000000,  0.0089405000000000 ]  - [  -0.0395156500000000, -0.0603211300000000,  0.0106640700000000 ]  - [  -0.0883588200000000,  0.0806851700000000, -0.0117186000000000 ]  - [  -0.0375821400000000,  0.0632779400000000, -0.0096486600000000 ]  - [  -0.0437928000000000,  0.0675648800000000, -0.0127373300000000 ]  - [  -0.0412999200000000,  0.0635212500000000,  0.0341631600000000 ]  - [   0.0644627900000000,  0.0029827000000000,  0.0319094800000000 ]  - [   0.0688162800000000,  0.0032201400000000, -0.0133669400000000 ]  - [  -0.0579931000000000, -0.0431177700000000, -0.0092365800000000 ]  - [  -0.0372281900000000, -0.0621791100000000, -0.0095527300000000 ]  - [   0.0440903400000000,  0.0024516100000000, -0.0096985400000000 ]  - [   0.0713077600000000,  0.0008642300000000, -0.0093327600000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0372807700000000, -0.0645022100000000,  0.0042686000000000 ]  - [   0.0470094600000000, -0.0668543600000000,  0.0091732500000000 ]  - [  -0.0745009400000000,  0.0000349900000000,  0.0042686000000000 ]  - [  -0.0814023100000000,  0.0072842100000000,  0.0091732500000000 ]  - [   0.0371834900000000,  0.0644036900000000,  0.0023081500000000 ]  - [   0.0372651800000000,  0.0645451800000000, -0.0022552100000000 ]  - [   0.0009435000000000, -0.0015661600000000, -0.0006121100000000 ]  - [   0.0002158900000000, -0.0019213100000000, -0.0004456000000000 ]  - [  -0.0017221100000000,  0.0007896000000000, -0.0008600900000000 ]  - [  -0.0017492800000000, -0.0001451700000000, -0.0006979300000000 ]  - [   0.0000710500000000,  0.0015771200000000, -0.0001741100000000 ]  - [   0.0024327500000000,  0.0009786500000000, -0.0000788300000000 ]  - [   0.0005859800000000, -0.0015261100000000, -0.0000096100000000 ]  - [   0.0010262900000000, -0.0014126500000000,  0.0015322200000000 ]  - [   0.0029894700000000,  0.0008734900000000,  0.0011602800000000 ]  - [   0.0009641600000000,  0.0014343400000000,  0.0016891000000000 ]  - [  -0.0008855400000000, -0.0021465200000000, -0.0023926500000000 ]  - [   0.0007123100000000, -0.0015781400000000,  0.0016462200000000 ]  - [  -0.0016146400000000, -0.0002555800000000, -0.0000096100000000 ]  - [  -0.0017365400000000,  0.0001824700000000,  0.0015322200000000 ]  - [   0.0013303000000000,  0.0008500900000000, -0.0001741100000000 ]  - [  -0.0003688400000000,  0.0025961500000000, -0.0000788300000000 ]  - [  -0.0018280800000000,  0.0000340200000000, -0.0006121100000000 ]  - [  -0.0017718500000000, -0.0007736900000000, -0.0004456000000000 ]  - [  -0.0014161700000000, -0.0018401700000000, -0.0023926500000000 ]  - [  -0.0017228600000000, -0.0001721900000000,  0.0016462200000000 ]  - [  -0.0007382700000000,  0.0030257000000000,  0.0011602800000000 ]  - [   0.0007600900000000,  0.0015521600000000,  0.0016891000000000 ]  - [   0.0015448700000000, -0.0010965900000000, -0.0008600900000000 ]  - [   0.0007489200000000, -0.0015875100000000, -0.0006979300000000 ]  - [  -0.0049378100000000, -0.0085525400000000, -0.0502077600000000 ]  - [  -0.0002014200000000, -0.0003488600000000, -0.0009262800000000 ]  - [   0.0003462900000000, -0.0000717700000000, -0.0015886100000000 ]  - [   0.0001036600000000, -0.0000897500000000,  0.0014385700000000 ]  - [  -0.0002353000000000,  0.0002640100000000, -0.0015886100000000 ]  - [  -0.0001295600000000,  0.0000449000000000,  0.0014385700000000 ]  - [   0.0346947600000000,  0.0600930900000000, -0.0021245300000000 ]  - [   0.0344850900000000,  0.0597299400000000,  0.0020418800000000 ]  - [  -0.0624333400000000, -0.0062249600000000,  0.0050642600000000 ]  - [  -0.0690685600000000,  0.0000657800000000,  0.0038073300000000 ]  - [   0.0258257000000000, -0.0571813400000000,  0.0050642600000000 ]  - [   0.0345912400000000, -0.0597822400000000,  0.0038073300000000 ]  - [  -0.0005213100000000, -0.0009029400000000,  0.0026777200000000 ]  - [  -0.0003467000000000, -0.0006005100000000,  0.0030163400000000 ]  - [  -0.0000865500000000, -0.0001201300000000, -0.0050100800000000 ]  - [   0.0004220200000000, -0.0000102300000000, -0.0010899800000000 ]  - [  -0.0000607600000000, -0.0001350200000000, -0.0050100800000000 ]  - [  -0.0002198700000000,  0.0003603600000000, -0.0010899800000000 ]  - [  -0.0011609900000000, -0.0003460200000000,  0.0019937200000000 ]  - [   0.0008139900000000,  0.0012416000000000,  0.0020546100000000 ]  - [   0.0002808300000000, -0.0011784600000000,  0.0019937200000000 ]  - [   0.0006682700000000,  0.0013257300000000,  0.0020546100000000 ]  - [  -0.0004641400000000, -0.0001831000000000,  0.0014888800000000 ]  - [   0.0006623700000000, -0.0000788600000000, -0.0000611900000000 ]  - [   0.0013892700000000, -0.0004434000000000,  0.0024012800000000 ]  - [  -0.0000548200000000,  0.0000440100000000, -0.0023465100000000 ]  - [  -0.0010786300000000,  0.0009814400000000,  0.0024012800000000 ]  - [   0.0000655200000000, -0.0000254700000000, -0.0023465100000000 ]  - [   0.0000735000000000, -0.0004935000000000,  0.0014888800000000 ]  - [  -0.0003994800000000,  0.0005342000000000, -0.0000611900000000 ]  - [   0.0003340700000000,  0.0000422000000000, -0.0004812000000000 ]  - [   0.0004815200000000, -0.0002026100000000,  0.0003664800000000 ]  - [  -0.0001304900000000,  0.0003104200000000, -0.0004812000000000 ]  - [  -0.0004162200000000,  0.0003157100000000,  0.0003664800000000 ]  - [   0.0012149200000000,  0.0021043100000000,  0.0044452800000000 ]  - [  -0.0002989600000000, -0.0005178200000000, -0.0005248100000000 ]  - [   0.0007185600000000,  0.0001184000000000,  0.0005603200000000 ]  - [   0.0007799300000000, -0.0000350800000000, -0.0004457900000000 ]  - [  -0.0002468300000000, -0.0004275200000000, -0.0005989900000000 ]  - [   0.0001835200000000,  0.0003178600000000,  0.0009160200000000 ]  - [  -0.0002567400000000,  0.0006815000000000,  0.0005603200000000 ]  - [  -0.0004203500000000,  0.0006579000000000, -0.0004457900000000 ]  - [  -0.0358612300000000, -0.0621134700000000,  0.0090261300000000 ]  - [  -0.0366714400000000, -0.0635168000000000,  0.0094728800000000 ]  - [  -0.0252284700000000,  0.0590387600000000,  0.0094747600000000 ]  - [  -0.0360367300000000,  0.0623412100000000, -0.0148512000000000 ]  - [  -0.0355296000000000,  0.0639205700000000,  0.0020837200000000 ]  - [  -0.0372419600000000,  0.0628110500000000,  0.0016004900000000 ]  - [   0.0731216400000000,  0.0011907500000000,  0.0020837200000000 ]  - [   0.0730169400000000, -0.0008469600000000,  0.0016004900000000 ]  - [  -0.0358376900000000, -0.0620727000000000, -0.0056465400000000 ]  - [  -0.0360554600000000, -0.0624498900000000, -0.0129374000000000 ]  - [   0.0637433000000000,  0.0076708800000000,  0.0094747600000000 ]  - [   0.0720074300000000, -0.0000381200000000, -0.0148512000000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0371111300000000, -0.0643510100000000, -0.0042791300000000 ]  - [   0.0275496500000000, -0.0620399100000000, -0.0090570000000000 ]  - [  -0.0742851700000000, -0.0000363200000000, -0.0042791300000000 ]  - [  -0.0675029600000000, -0.0071612600000000, -0.0090570000000000 ]  - [   0.0372105600000000,  0.0644505700000000, -0.0023005300000000 ]  - [   0.0371282300000000,  0.0643079900000000,  0.0022277500000000 ]  - [   0.0002753500000000, -0.0018058900000000, -0.0013573000000000 ]  - [   0.0010046200000000, -0.0014492300000000, -0.0015339400000000 ]  - [  -0.0018084000000000, -0.0001687200000000, -0.0011088800000000 ]  - [  -0.0017789900000000,  0.0007601600000000, -0.0012810100000000 ]  - [   0.0022483600000000,  0.0011632600000000, -0.0018055700000000 ]  - [  -0.0001130500000000,  0.0017604300000000, -0.0018977800000000 ]  - [   0.0017434000000000, -0.0012279000000000,  0.0019881500000000 ]  - [   0.0012750100000000, -0.0013315300000000,  0.0004429800000000 ]  - [  -0.0008505500000000,  0.0019035900000000,  0.0008402600000000 ]  - [   0.0013390500000000,  0.0013093300000000,  0.0002862400000000 ]  - [   0.0021455300000000, -0.0012170200000000,  0.0043620900000000 ]  - [   0.0005106700000000, -0.0017908700000000,  0.0003282200000000 ]  - [  -0.0019350900000000,  0.0008958800000000,  0.0019881500000000 ]  - [  -0.0017906500000000,  0.0004384300000000,  0.0004429800000000 ]  - [  -0.0001167700000000,  0.0025287600000000, -0.0018055700000000 ]  - [   0.0015811000000000,  0.0007823100000000, -0.0018977800000000 ]  - [  -0.0017016300000000, -0.0006644900000000, -0.0013573000000000 ]  - [  -0.0017573800000000,  0.0001454100000000, -0.0015339400000000 ]  - [  -0.0021267400000000,  0.0012495700000000,  0.0043620900000000 ]  - [  -0.0018062800000000, -0.0004531800000000,  0.0003282200000000 ]  - [   0.0020738300000000,  0.0002151900000000,  0.0008402600000000 ]  - [   0.0004643900000000,  0.0018143200000000,  0.0002862400000000 ]  - [   0.0007580800000000, -0.0016504900000000, -0.0011088800000000 ]  - [   0.0015478200000000, -0.0011605700000000, -0.0012810100000000 ]  - [   0.0047091200000000,  0.0081564400000000,  0.0472368400000000 ]  - [  -0.0002840200000000, -0.0004919500000000, -0.0024079700000000 ]  - [  -0.0003558500000000,  0.0000739400000000,  0.0016267200000000 ]  - [  -0.0001016100000000,  0.0000891200000000, -0.0014403400000000 ]  - [   0.0002419600000000, -0.0002712100000000,  0.0016267200000000 ]  - [   0.0001279900000000, -0.0000434400000000, -0.0014403400000000 ]  - [   0.0343337400000000,  0.0594677800000000,  0.0021584800000000 ]  - [   0.0345447400000000,  0.0598332400000000, -0.0020560400000000 ]  - [  -0.0757148500000000,  0.0063003900000000, -0.0050865400000000 ]  - [  -0.0689927800000000, -0.0000667800000000, -0.0038037800000000 ]  - [   0.0433137200000000, -0.0624207900000000, -0.0050865400000000 ]  - [   0.0344385500000000, -0.0597828900000000, -0.0038037800000000 ]  - [   0.0000403100000000,  0.0000698200000000,  0.0006564000000000 ]  - [  -0.0001378100000000, -0.0002386900000000,  0.0003002300000000 ]  - [   0.0010412500000000,  0.0000490700000000,  0.0016786300000000 ]  - [   0.0005462600000000,  0.0000157700000000, -0.0022455100000000 ]  - [  -0.0004781300000000,  0.0009262800000000,  0.0016786300000000 ]  - [  -0.0002594800000000,  0.0004809600000000, -0.0022455100000000 ]  - [   0.0006818000000000,  0.0011942000000000,  0.0013479300000000 ]  - [  -0.0012848400000000, -0.0003933700000000,  0.0012764200000000 ]  - [   0.0006933100000000,  0.0011875500000000,  0.0013479300000000 ]  - [   0.0003017500000000, -0.0013093900000000,  0.0012764200000000 ]  - [   0.0004660600000000,  0.0001884700000000,  0.0005351300000000 ]  - [  -0.0006569300000000,  0.0000806900000000,  0.0021170600000000 ]  - [  -0.0014356800000000,  0.0004683900000000, -0.0045130300000000 ]  - [   0.0000554400000000, -0.0000396400000000,  0.0002973600000000 ]  - [   0.0011234800000000, -0.0010091400000000, -0.0045130300000000 ]  - [  -0.0000620500000000,  0.0000282000000000,  0.0002973600000000 ]  - [  -0.0000698100000000,  0.0004978600000000,  0.0005351300000000 ]  - [   0.0003983400000000, -0.0005285700000000,  0.0021170600000000 ]  - [   0.0004169700000000, -0.0000429600000000,  0.0004802900000000 ]  - [   0.0002661300000000,  0.0002029900000000, -0.0003513400000000 ]  - [  -0.0002456900000000,  0.0003396200000000,  0.0004802900000000 ]  - [   0.0000427300000000,  0.0003319700000000, -0.0003513400000000 ]  - [  -0.0020476000000000, -0.0035465500000000, -0.0045830400000000 ]  - [  -0.0004373000000000, -0.0007574300000000,  0.0005253300000000 ]  - [   0.0007519400000000, -0.0001180900000000, -0.0005744100000000 ]  - [   0.0006933100000000,  0.0000340700000000,  0.0004465000000000 ]  - [  -0.0001279000000000, -0.0002215200000000,  0.0005993200000000 ]  - [  -0.0005862200000000, -0.0010153700000000, -0.0008575500000000 ]  - [  -0.0004782400000000,  0.0005921600000000, -0.0005744100000000 ]  - [  -0.0003171500000000,  0.0006174600000000,  0.0004465000000000 ]  - [  -0.0366062800000000, -0.0634039400000000,  0.0104266100000000 ]  - [  -0.0357929100000000, -0.0619951400000000,  0.0100419000000000 ]  - [  -0.0479145100000000,  0.0667374800000000, -0.0291594500000000 ]  - [  -0.0364267400000000,  0.0631674700000000, -0.0046259100000000 ]  - [  -0.0369453400000000,  0.0615840000000000,  0.0174228600000000 ]  - [  -0.0352226100000000,  0.0626928700000000,  0.0178492900000000 ]  - [   0.0718059800000000, -0.0012036000000000,  0.0174228600000000 ]  - [   0.0719049300000000,  0.0008427600000000,  0.0178492900000000 ]  - [  -0.0366123600000000, -0.0634144700000000, -0.0138364600000000 ]  - [  -0.0364098800000000, -0.0630637600000000, -0.0065416400000000 ]  - [   0.0817536000000000, -0.0081264400000000, -0.0291594500000000 ]  - [   0.0729180100000000,  0.0000372500000000, -0.0046259100000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0388619400000000, -0.0648025300000000,  0.0031380900000000 ]  - [   0.0388619400000000, -0.0648025300000000, -0.0031380900000000 ]  - [  -0.0736510500000000,  0.0006242000000000, -0.0020002300000000 ]  - [  -0.0736510500000000,  0.0006242000000000,  0.0020002300000000 ]  - [   0.0375325100000000,  0.0637554800000000, -0.0011483300000000 ]  - [   0.0375325100000000,  0.0637554800000000,  0.0011483300000000 ]  - [   0.0017480700000000,  0.0063812700000000, -0.0124447500000000 ]  - [   0.0004052900000000, -0.0018195000000000, -0.0008069600000000 ]  - [  -0.0056304600000000, -0.0056006300000000, -0.0074132200000000 ]  - [  -0.0019058600000000,  0.0004035600000000, -0.0008936900000000 ]  - [   0.0119118200000000, -0.0018890400000000,  0.0168017700000000 ]  - [   0.0008065000000000,  0.0014022500000000, -0.0012709000000000 ]  - [   0.0016585800000000, -0.0016635400000000,  0.0011047500000000 ]  - [   0.0013542900000000, -0.0013313500000000,  0.0009350000000000 ]  - [   0.0119118200000000, -0.0018890400000000, -0.0168017700000000 ]  - [   0.0008065000000000,  0.0014022500000000,  0.0012709000000000 ]  - [   0.0017480700000000,  0.0063812700000000,  0.0124447500000000 ]  - [   0.0004052900000000, -0.0018195000000000,  0.0008069600000000 ]  - [  -0.0056304600000000, -0.0056006300000000,  0.0074132200000000 ]  - [  -0.0019058600000000,  0.0004035600000000,  0.0008936900000000 ]  - [   0.0003897500000000,  0.0027493800000000, -0.0008772800000000 ]  - [   0.0005285500000000,  0.0018493000000000, -0.0009441900000000 ]  - [  -0.0004496500000000,  0.0006906600000000, -0.0009949000000000 ]  - [  -0.0016049800000000,  0.0000169700000000, -0.0010904300000000 ]  - [  -0.0004496500000000,  0.0006906600000000,  0.0009949000000000 ]  - [  -0.0016049800000000,  0.0000169700000000,  0.0010904300000000 ]  - [   0.0003897500000000,  0.0027493800000000,  0.0008772800000000 ]  - [   0.0005285500000000,  0.0018493000000000,  0.0009441900000000 ]  - [   0.0016585800000000, -0.0016635400000000, -0.0011047500000000 ]  - [   0.0013542900000000, -0.0013313500000000, -0.0009350000000000 ]  - [   0.0040211300000000, -0.0014436500000000, -0.0013123700000000 ]  - [   0.0007556700000000, -0.0009703500000000, -0.0015660800000000 ]  - [  -0.0562109400000000,  0.0000514900000000,  0.0000000000000000 ]  - [  -0.0002027200000000,  0.0000001200000000,  0.0000000000000000 ]  - [   0.0008549900000000, -0.0004408200000000,  0.0000000000000000 ]  - [   0.0000575500000000,  0.0001187400000000,  0.0000000000000000 ]  - [   0.0345500000000000,  0.0580878200000000,  0.0000000000000000 ]  - [   0.0346243500000000,  0.0597224600000000,  0.0000000000000000 ]  - [  -0.0678909500000000,  0.0019312600000000,  0.0000000000000000 ]  - [  -0.0690074600000000,  0.0000448600000000,  0.0000000000000000 ]  - [   0.0382226400000000, -0.0606098600000000,  0.0000000000000000 ]  - [   0.0346714800000000, -0.0597138800000000,  0.0000000000000000 ]  - [   0.0040211300000000, -0.0014436500000000,  0.0013123700000000 ]  - [   0.0007556700000000, -0.0009703500000000,  0.0015660800000000 ]  - [   0.0014069200000000, -0.0032705000000000, -0.0017804600000000 ]  - [   0.0005036600000000, -0.0008905100000000, -0.0016423800000000 ]  - [   0.0004057800000000,  0.0011733800000000, -0.0019054900000000 ]  - [  -0.0000328300000000,  0.0005556200000000, -0.0017978500000000 ]  - [   0.0004057800000000,  0.0011733800000000,  0.0019054900000000 ]  - [  -0.0000328300000000,  0.0005556200000000,  0.0017978500000000 ]  - [   0.0014069200000000, -0.0032705000000000,  0.0017804600000000 ]  - [   0.0005036600000000, -0.0008905100000000,  0.0016423800000000 ]  - [  -0.0008247300000000, -0.0008183400000000,  0.0010342500000000 ]  - [  -0.0001628300000000, -0.0003415000000000,  0.0010253700000000 ]  - [  -0.0008247300000000, -0.0008183400000000, -0.0010342500000000 ]  - [  -0.0001628300000000, -0.0003415000000000, -0.0010253700000000 ]  - [   0.0240621900000000,  0.0000018100000000, -0.0014754200000000 ]  - [   0.0006221400000000, -0.0000191700000000, -0.0010263300000000 ]  - [   0.0240621900000000,  0.0000018100000000,  0.0014754200000000 ]  - [   0.0006221400000000, -0.0000191700000000,  0.0010263300000000 ]  - [   0.0008921400000000,  0.0003450400000000, -0.0001085800000000 ]  - [   0.0008921400000000,  0.0003450400000000,  0.0001085800000000 ]  - [   0.0000563400000000, -0.0002982800000000, -0.0002826200000000 ]  - [   0.0000563400000000, -0.0002982800000000,  0.0002826200000000 ]  - [   0.0028399900000000, -0.0013296000000000,  0.0000000000000000 ]  - [  -0.0004489600000000, -0.0006652100000000,  0.0000000000000000 ]  - [   0.0024365100000000, -0.0005107500000000,  0.0000000000000000 ]  - [   0.0007999500000000,  0.0000531400000000,  0.0000000000000000 ]  - [  -0.0006400500000000, -0.0002301300000000,  0.0003896500000000 ]  - [  -0.0006400500000000, -0.0002301300000000, -0.0003896500000000 ]  - [   0.0020693700000000,  0.0011376600000000,  0.0000000000000000 ]  - [  -0.0003065300000000,  0.0005241700000000,  0.0000000000000000 ]  - [  -0.0378484200000000, -0.0570779700000000,  0.0102600800000000 ]  - [  -0.0366237500000000, -0.0622974400000000,  0.0089798800000000 ]  - [  -0.0489570800000000,  0.0669048500000000, -0.0081087900000000 ]  - [  -0.0368215700000000,  0.0631330400000000, -0.0118969700000000 ]  - [  -0.0489570800000000,  0.0669048500000000,  0.0081087900000000 ]  - [  -0.0368215700000000,  0.0631330400000000,  0.0118969700000000 ]  - [   0.0666502200000000, -0.0046712100000000,  0.0108929800000000 ]  - [   0.0720501400000000,  0.0002480500000000,  0.0083412300000000 ]  - [  -0.0378484200000000, -0.0570779700000000, -0.0102600800000000 ]  - [  -0.0366237500000000, -0.0622974400000000, -0.0089798800000000 ]  - [   0.0666502200000000, -0.0046712100000000, -0.0108929800000000 ]  - [   0.0720501400000000,  0.0002480500000000, -0.0083412300000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0355330800000000, -0.0640520900000000, -0.0031613600000000 ]  - [   0.0355330800000000, -0.0640520900000000,  0.0031613600000000 ]  - [  -0.0751406400000000, -0.0006266500000000,  0.0020005000000000 ]  - [  -0.0751406400000000, -0.0006266500000000, -0.0020005000000000 ]  - [   0.0368603900000000,  0.0651044800000000,  0.0011482700000000 ]  - [   0.0368603900000000,  0.0651044800000000, -0.0011482700000000 ]  - [  -0.0005763000000000, -0.0097249400000000,  0.0104271600000000 ]  - [   0.0008111100000000, -0.0015568600000000, -0.0011717100000000 ]  - [   0.0020581300000000,  0.0062416400000000,  0.0054467500000000 ]  - [  -0.0016255900000000,  0.0002286000000000, -0.0010856500000000 ]  - [  -0.0096370800000000,  0.0046540800000000, -0.0189273100000000 ]  - [   0.0015003800000000,  0.0013409000000000, -0.0007106400000000 ]  - [   0.0006452200000000, -0.0010810300000000,  0.0008781400000000 ]  - [   0.0009564300000000, -0.0014105300000000,  0.0010434600000000 ]  - [  -0.0096370800000000,  0.0046540800000000,  0.0189273100000000 ]  - [   0.0015003800000000,  0.0013409000000000,  0.0007106400000000 ]  - [  -0.0005763000000000, -0.0097249400000000, -0.0104271600000000 ]  - [   0.0008111100000000, -0.0015568600000000,  0.0011717100000000 ]  - [   0.0020581300000000,  0.0062416400000000, -0.0054467500000000 ]  - [  -0.0016255900000000,  0.0002286000000000,  0.0010856500000000 ]  - [   0.0008340300000000,  0.0006137800000000, -0.0011066100000000 ]  - [   0.0006939400000000,  0.0015205500000000, -0.0010352600000000 ]  - [  -0.0030781500000000, -0.0013243500000000, -0.0009893000000000 ]  - [  -0.0019264800000000, -0.0006488600000000, -0.0008878000000000 ]  - [  -0.0030781500000000, -0.0013243500000000,  0.0009893000000000 ]  - [  -0.0019264800000000, -0.0006488600000000,  0.0008878000000000 ]  - [   0.0008340300000000,  0.0006137800000000,  0.0011066100000000 ]  - [   0.0006939400000000,  0.0015205500000000,  0.0010352600000000 ]  - [   0.0006452200000000, -0.0010810300000000, -0.0008781400000000 ]  - [   0.0009564300000000, -0.0014105300000000, -0.0010434600000000 ]  - [  -0.0045201000000000,  0.0006142000000000, -0.0020152200000000 ]  - [  -0.0012410900000000,  0.0001250700000000, -0.0017713100000000 ]  - [   0.0560502100000000,  0.0000511100000000,  0.0000000000000000 ]  - [   0.0002037400000000,  0.0000001000000000,  0.0000000000000000 ]  - [  -0.0008505200000000,  0.0004308800000000,  0.0000000000000000 ]  - [  -0.0000568800000000, -0.0001211800000000,  0.0000000000000000 ]  - [   0.0344757600000000,  0.0614703000000000,  0.0000000000000000 ]  - [   0.0344045800000000,  0.0598411000000000,  0.0000000000000000 ]  - [  -0.0701642000000000, -0.0019227600000000,  0.0000000000000000 ]  - [  -0.0690544700000000, -0.0000452700000000,  0.0000000000000000 ]  - [   0.0307815100000000, -0.0589415700000000,  0.0000000000000000 ]  - [   0.0343575900000000, -0.0598497900000000,  0.0000000000000000 ]  - [  -0.0045201000000000,  0.0006142000000000,  0.0020152200000000 ]  - [  -0.0012410900000000,  0.0001250700000000,  0.0017713100000000 ]  - [  -0.0004303900000000,  0.0032837500000000, -0.0015565100000000 ]  - [   0.0004693200000000,  0.0008912500000000, -0.0016949400000000 ]  - [  -0.0008880300000000, -0.0003292400000000, -0.0014280400000000 ]  - [  -0.0004510800000000,  0.0002898100000000, -0.0015405600000000 ]  - [  -0.0008880300000000, -0.0003292400000000,  0.0014280400000000 ]  - [  -0.0004510800000000,  0.0002898100000000,  0.0015405600000000 ]  - [  -0.0004303900000000,  0.0032837500000000,  0.0015565100000000 ]  - [   0.0004693200000000,  0.0008912500000000,  0.0016949400000000 ]  - [   0.0008223900000000,  0.0008355500000000,  0.0010362700000000 ]  - [   0.0001610700000000,  0.0003481200000000,  0.0010275500000000 ]  - [   0.0008223900000000,  0.0008355500000000, -0.0010362700000000 ]  - [   0.0001610700000000,  0.0003481200000000, -0.0010275500000000 ]  - [  -0.0239906100000000, -0.0000329900000000, -0.0014773300000000 ]  - [  -0.0006152700000000,  0.0000197300000000, -0.0010286300000000 ]  - [  -0.0239906100000000, -0.0000329900000000,  0.0014773300000000 ]  - [  -0.0006152700000000,  0.0000197300000000,  0.0010286300000000 ]  - [  -0.0001427300000000, -0.0003416400000000,  0.0001067500000000 ]  - [  -0.0001427300000000, -0.0003416400000000, -0.0001067500000000 ]  - [  -0.0004354800000000,  0.0009459000000000,  0.0002812900000000 ]  - [  -0.0004354800000000,  0.0009459000000000, -0.0002812900000000 ]  - [  -0.0032278700000000, -0.0000140500000000,  0.0000000000000000 ]  - [  -0.0002869100000000, -0.0006099400000000,  0.0000000000000000 ]  - [  -0.0009676400000000,  0.0005457200000000,  0.0000000000000000 ]  - [   0.0006716000000000, -0.0000537000000000,  0.0000000000000000 ]  - [   0.0002692400000000, -0.0004209300000000, -0.0003895000000000 ]  - [   0.0002692400000000, -0.0004209300000000,  0.0003895000000000 ]  - [  -0.0028874400000000,  0.0000198200000000,  0.0000000000000000 ]  - [  -0.0004302500000000,  0.0007499700000000,  0.0000000000000000 ]  - [  -0.0346004200000000, -0.0684740400000000,  0.0092402700000000 ]  - [  -0.0358386500000000, -0.0632150700000000,  0.0105052100000000 ]  - [  -0.0235249500000000,  0.0585921600000000, -0.0114144900000000 ]  - [  -0.0356432800000000,  0.0623764000000000, -0.0075777100000000 ]  - [  -0.0235249500000000,  0.0585921600000000,  0.0114144900000000 ]  - [  -0.0356432800000000,  0.0623764000000000,  0.0075777100000000 ]  - [   0.0783049100000000,  0.0046865500000000,  0.0086144600000000 ]  - [   0.0728773100000000, -0.0002486500000000,  0.0111409200000000 ]  - [  -0.0346004200000000, -0.0684740400000000, -0.0092402700000000 ]  - [  -0.0358386500000000, -0.0632150700000000, -0.0105052100000000 ]  - [   0.0783049100000000,  0.0046865500000000, -0.0086144600000000 ]  - [   0.0728773100000000, -0.0002486500000000, -0.0111409200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0396443600000000, -0.0650648900000000,  0.0056848800000000 ]  - [   0.0347407000000000, -0.0637858300000000,  0.0057000200000000 ]  - [  -0.0761700300000000, -0.0018005800000000,  0.0056848800000000 ]  - [  -0.0726105000000000,  0.0018065900000000,  0.0057000200000000 ]  - [   0.0365256700000000,  0.0668654700000000,  0.0056848800000000 ]  - [   0.0378698000000000,  0.0619792500000000,  0.0057000200000000 ]  - [  -0.0193832900000000, -0.0246286700000000,  0.0213798000000000 ]  - [   0.0007555100000000, -0.0015104800000000,  0.0007953600000000 ]  - [  -0.0116374100000000,  0.0291007600000000,  0.0213798000000000 ]  - [  -0.0016858700000000,  0.0001009500000000,  0.0007953600000000 ]  - [   0.0310207000000000, -0.0044720800000000,  0.0213798000000000 ]  - [   0.0009303600000000,  0.0014095300000000,  0.0007953600000000 ]  - [   0.0027948100000000, -0.0019504500000000, -0.0006316700000000 ]  - [   0.0009051400000000, -0.0014130900000000,  0.0022760600000000 ]  - [  -0.0290508000000000,  0.0072749600000000,  0.0236194600000000 ]  - [   0.0013699500000000,  0.0013362400000000,  0.0027744600000000 ]  - [   0.0208257000000000,  0.0215212400000000,  0.0236194600000000 ]  - [   0.0004722400000000, -0.0018545300000000,  0.0027744600000000 ]  - [   0.0082250900000000, -0.0287962100000000,  0.0236194600000000 ]  - [  -0.0018421900000000,  0.0005182900000000,  0.0027744600000000 ]  - [   0.0009286300000000, -0.0000212300000000, -0.0025972000000000 ]  - [   0.0004596700000000,  0.0018710900000000,  0.0002985300000000 ]  - [  -0.0004459300000000,  0.0008148400000000, -0.0025972000000000 ]  - [  -0.0018502500000000, -0.0005374600000000,  0.0002985300000000 ]  - [  -0.0030865500000000, -0.0014451500000000, -0.0006316700000000 ]  - [  -0.0016763400000000, -0.0000773300000000,  0.0022760600000000 ]  - [   0.0002917400000000,  0.0033956000000000, -0.0006316700000000 ]  - [   0.0007712100000000,  0.0014904200000000,  0.0022760600000000 ]  - [  -0.0004827100000000, -0.0007936000000000, -0.0025972000000000 ]  - [   0.0013905800000000, -0.0013336300000000,  0.0002985300000000 ]  - [  -0.0002914400000000, -0.0003766900000000, -0.0032815700000000 ]  - [   0.0001583900000000, -0.0005615900000000, -0.0002284600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.5365696400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035176400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053525600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029283700000000 ]  - [   0.0345153500000000,  0.0597941800000000, -0.0151618200000000 ]  - [   0.0345154500000000,  0.0597806000000000,  0.0072222200000000 ]  - [  -0.0690409500000000, -0.0000059200000000, -0.0151618200000000 ]  - [  -0.0690292400000000,  0.0000009600000000,  0.0072222200000000 ]  - [   0.0345256000000000, -0.0597882600000000, -0.0151618200000000 ]  - [   0.0345137900000000, -0.0597815600000000,  0.0072222200000000 ]  - [  -0.0002071500000000, -0.0004737500000000,  0.0000679800000000 ]  - [  -0.0006472100000000, -0.0002777200000000,  0.0031079300000000 ]  - [   0.0004719400000000, -0.0000640500000000, -0.0032815700000000 ]  - [   0.0004071500000000,  0.0004179600000000, -0.0002284600000000 ]  - [  -0.0001805000000000,  0.0004407400000000, -0.0032815700000000 ]  - [  -0.0005655400000000,  0.0001436200000000, -0.0002284600000000 ]  - [  -0.0003067000000000,  0.0004162800000000,  0.0000679800000000 ]  - [   0.0000830900000000,  0.0006993600000000,  0.0031079300000000 ]  - [   0.0005138600000000,  0.0000574800000000,  0.0000679800000000 ]  - [   0.0005641200000000, -0.0004216400000000,  0.0031079300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062027400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017358700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041859500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037837000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1960028800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048084800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1829901000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027596100000000 ]  - [  -0.0000453100000000,  0.0013044000000000, -0.0015426100000000 ]  - [   0.0007953200000000, -0.0013034200000000, -0.0015388300000000 ]  - [  -0.0011069900000000, -0.0006914400000000, -0.0015426100000000 ]  - [   0.0007311300000000,  0.0013404800000000, -0.0015388300000000 ]  - [  -0.0003760100000000, -0.0006329200000000,  0.0046223000000000 ]  - [  -0.0003675900000000, -0.0006368800000000, -0.0011173500000000 ]  - [   0.0007361300000000, -0.0000091800000000,  0.0046223000000000 ]  - [   0.0007353500000000,  0.0000001000000000, -0.0011173500000000 ]  - [   0.0011523000000000, -0.0006129600000000, -0.0015426100000000 ]  - [  -0.0015264600000000, -0.0000370600000000, -0.0015388300000000 ]  - [  -0.0003601200000000,  0.0006420900000000,  0.0046223000000000 ]  - [  -0.0003677600000000,  0.0006367800000000, -0.0011173500000000 ]  - [  -0.0301451500000000, -0.0799370400000000,  0.0201420100000000 ]  - [  -0.0371377300000000, -0.0627692800000000,  0.0001219000000000 ]  - [  -0.0182562100000000,  0.0594364600000000,  0.0007034100000000 ]  - [  -0.0366714000000000,  0.0619664300000000, -0.0193560700000000 ]  - [  -0.0541549300000000,  0.0660749900000000,  0.0201420100000000 ]  - [  -0.0357909200000000,  0.0635468600000000,  0.0001219000000000 ]  - [   0.0843000800000000,  0.0138620500000000,  0.0201420100000000 ]  - [   0.0729286500000000, -0.0007775800000000,  0.0001219000000000 ]  - [  -0.0423453700000000, -0.0455285700000000,  0.0007034100000000 ]  - [  -0.0353288000000000, -0.0627415800000000, -0.0193560700000000 ]  - [   0.0606015900000000, -0.0139078800000000,  0.0007034100000000 ]  - [   0.0720002000000000,  0.0007751500000000, -0.0193560700000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0372531200000000, -0.0643831500000000, -0.0010367700000000 ]  - [   0.0372531200000000, -0.0643831500000000,  0.0010367700000000 ]  - [  -0.0738594300000000,  0.0003658000000000,  0.0013877900000000 ]  - [  -0.0738594300000000,  0.0003658000000000, -0.0013877900000000 ]  - [   0.0408963000000000,  0.0637126000000000,  0.0034907700000000 ]  - [   0.0408963000000000,  0.0637126000000000, -0.0034907700000000 ]  - [   0.0010100600000000, -0.0017566000000000, -0.0009784900000000 ]  - [   0.0007312100000000, -0.0016589700000000, -0.0010221900000000 ]  - [  -0.0037392200000000, -0.0034181500000000,  0.0031896700000000 ]  - [  -0.0017471200000000, -0.0000915100000000, -0.0011216300000000 ]  - [   0.0020418300000000,  0.0009132600000000, -0.0009943200000000 ]  - [   0.0013935400000000,  0.0012704700000000, -0.0009368900000000 ]  - [   0.0084513000000000, -0.0003473100000000,  0.0133363600000000 ]  - [   0.0012236200000000, -0.0013593200000000,  0.0005040000000000 ]  - [   0.0020418300000000,  0.0009132600000000,  0.0009943200000000 ]  - [   0.0013935400000000,  0.0012704700000000,  0.0009368900000000 ]  - [   0.0010100600000000, -0.0017566000000000,  0.0009784900000000 ]  - [   0.0007312100000000, -0.0016589700000000,  0.0010221900000000 ]  - [  -0.0037392200000000, -0.0034181500000000, -0.0031896700000000 ]  - [  -0.0017471200000000, -0.0000915100000000,  0.0011216300000000 ]  - [   0.0036453200000000, -0.0000084600000000, -0.0012453500000000 ]  - [   0.0009295900000000,  0.0014536600000000, -0.0009300900000000 ]  - [  -0.0002706600000000,  0.0012857300000000, -0.0013574200000000 ]  - [  -0.0016552600000000, -0.0002407100000000, -0.0008557700000000 ]  - [  -0.0002706600000000,  0.0012857300000000,  0.0013574200000000 ]  - [  -0.0016552600000000, -0.0002407100000000,  0.0008557700000000 ]  - [   0.0036453200000000, -0.0000084600000000,  0.0012453500000000 ]  - [   0.0009295900000000,  0.0014536600000000,  0.0009300900000000 ]  - [   0.0084513000000000, -0.0003473100000000, -0.0133363600000000 ]  - [   0.0012236200000000, -0.0013593200000000, -0.0005040000000000 ]  - [  -0.0012654800000000,  0.0008484900000000, -0.0014869900000000 ]  - [  -0.0005068600000000, -0.0002052300000000, -0.0017002200000000 ]  - [   0.0000368100000000, -0.0012910200000000,  0.0000000000000000 ]  - [   0.0001101700000000, -0.0000973900000000,  0.0000000000000000 ]  - [   0.0037462400000000,  0.0004398600000000,  0.0000000000000000 ]  - [   0.0001550900000000, -0.0000332900000000,  0.0000000000000000 ]  - [  -0.0084626800000000,  0.0540626900000000,  0.0000000000000000 ]  - [   0.0353169200000000,  0.0590291100000000,  0.0000000000000000 ]  - [  -0.0678546800000000,  0.0005186100000000,  0.0000000000000000 ]  - [  -0.0688801400000000,  0.0000221300000000,  0.0000000000000000 ]  - [   0.0346478100000000, -0.0596921700000000,  0.0000000000000000 ]  - [   0.0345644600000000, -0.0597434200000000,  0.0000000000000000 ]  - [  -0.0012654800000000,  0.0008484900000000,  0.0014869900000000 ]  - [  -0.0005068600000000, -0.0002052300000000,  0.0017002200000000 ]  - [  -0.0025762700000000, -0.0019812900000000,  0.0004287800000000 ]  - [   0.0003801100000000,  0.0005470900000000, -0.0017065300000000 ]  - [   0.0075701800000000,  0.0064417000000000, -0.0103329600000000 ]  - [  -0.0003847700000000,  0.0003874500000000, -0.0015925200000000 ]  - [   0.0075701800000000,  0.0064417000000000,  0.0103329600000000 ]  - [  -0.0003847700000000,  0.0003874500000000,  0.0015925200000000 ]  - [  -0.0025762700000000, -0.0019812900000000, -0.0004287800000000 ]  - [   0.0003801100000000,  0.0005470900000000,  0.0017065300000000 ]  - [  -0.0081717900000000, -0.0007512500000000,  0.0022723400000000 ]  - [  -0.0004791800000000,  0.0000856100000000,  0.0007879600000000 ]  - [  -0.0081717900000000, -0.0007512500000000, -0.0022723400000000 ]  - [  -0.0004791800000000,  0.0000856100000000, -0.0007879600000000 ]  - [  -0.0008056000000000,  0.0024386100000000, -0.0011684000000000 ]  - [  -0.0002736500000000,  0.0003205500000000, -0.0010261500000000 ]  - [  -0.0008056000000000,  0.0024386100000000,  0.0011684000000000 ]  - [  -0.0002736500000000,  0.0003205500000000,  0.0010261500000000 ]  - [   0.0002393300000000,  0.0005162700000000,  0.0004272000000000 ]  - [   0.0002393300000000,  0.0005162700000000, -0.0004272000000000 ]  - [  -0.0006323300000000,  0.0005398800000000, -0.0001440900000000 ]  - [  -0.0006323300000000,  0.0005398800000000,  0.0001440900000000 ]  - [   0.0000705300000000, -0.0027015900000000,  0.0000000000000000 ]  - [  -0.0002687200000000, -0.0006729400000000,  0.0000000000000000 ]  - [  -0.0014141400000000,  0.0028788600000000,  0.0000000000000000 ]  - [   0.0007198200000000,  0.0000564700000000,  0.0000000000000000 ]  - [   0.0002228400000000, -0.0008308900000000,  0.0003729400000000 ]  - [   0.0002228400000000, -0.0008308900000000, -0.0003729400000000 ]  - [  -0.0036315100000000,  0.0021973700000000,  0.0000000000000000 ]  - [  -0.0004800700000000,  0.0006749600000000,  0.0000000000000000 ]  - [  -0.0199836800000000, -0.0606536800000000,  0.0223270000000000 ]  - [  -0.0363303100000000, -0.0621960900000000,  0.0102647700000000 ]  - [  -0.0360736000000000,  0.0625016900000000, -0.0103185900000000 ]  - [  -0.0363056300000000,  0.0623412200000000, -0.0090210400000000 ]  - [  -0.0360736000000000,  0.0625016900000000,  0.0103185900000000 ]  - [  -0.0363056300000000,  0.0623412200000000,  0.0090210400000000 ]  - [   0.0676238700000000, -0.0038701500000000,  0.0088963100000000 ]  - [   0.0722606800000000, -0.0000414500000000,  0.0105286800000000 ]  - [  -0.0199836800000000, -0.0606536800000000, -0.0223270000000000 ]  - [  -0.0363303100000000, -0.0621960900000000, -0.0102647700000000 ]  - [   0.0676238700000000, -0.0038701500000000, -0.0088963100000000 ]  - [   0.0722606800000000, -0.0000414500000000, -0.0105286800000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0371425400000000, -0.0644617200000000,  0.0010128500000000 ]  - [   0.0371425400000000, -0.0644617200000000, -0.0010128500000000 ]  - [  -0.0749259900000000, -0.0003673900000000, -0.0014386900000000 ]  - [  -0.0749259900000000, -0.0003673900000000,  0.0014386900000000 ]  - [   0.0334242400000000,  0.0651053500000000, -0.0032784800000000 ]  - [   0.0334242400000000,  0.0651053500000000,  0.0032784800000000 ]  - [   0.0001979700000000, -0.0016349600000000, -0.0010077400000000 ]  - [   0.0004777100000000, -0.0017290100000000, -0.0009520800000000 ]  - [   0.0002507500000000,  0.0040315300000000, -0.0051683900000000 ]  - [  -0.0017808500000000,  0.0007121500000000, -0.0008576800000000 ]  - [   0.0002706800000000,  0.0018291700000000, -0.0009918200000000 ]  - [   0.0009195300000000,  0.0014714100000000, -0.0010426200000000 ]  - [  -0.0060781400000000, -0.0023751400000000, -0.0111880800000000 ]  - [   0.0010712700000000, -0.0013863800000000,  0.0014728500000000 ]  - [   0.0002706800000000,  0.0018291700000000,  0.0009918200000000 ]  - [   0.0009195300000000,  0.0014714100000000,  0.0010426200000000 ]  - [   0.0001979700000000, -0.0016349600000000,  0.0010077400000000 ]  - [   0.0004777100000000, -0.0017290100000000,  0.0009520800000000 ]  - [   0.0002507500000000,  0.0040315300000000,  0.0051683900000000 ]  - [  -0.0017808500000000,  0.0007121500000000,  0.0008576800000000 ]  - [  -0.0024157400000000,  0.0033755100000000, -0.0007412500000000 ]  - [   0.0002855600000000,  0.0019255500000000, -0.0010465400000000 ]  - [  -0.0032557300000000, -0.0019046700000000, -0.0006270500000000 ]  - [  -0.0018807500000000, -0.0003968000000000, -0.0011206000000000 ]  - [  -0.0032557300000000, -0.0019046700000000,  0.0006270500000000 ]  - [  -0.0018807500000000, -0.0003968000000000,  0.0011206000000000 ]  - [  -0.0024157400000000,  0.0033755100000000,  0.0007412500000000 ]  - [   0.0002855600000000,  0.0019255500000000,  0.0010465400000000 ]  - [  -0.0060781400000000, -0.0023751400000000,  0.0111880800000000 ]  - [   0.0010712700000000, -0.0013863800000000, -0.0014728500000000 ]  - [   0.0007885900000000, -0.0016982400000000, -0.0018473800000000 ]  - [   0.0000274800000000, -0.0006439400000000, -0.0016399000000000 ]  - [  -0.0000379600000000,  0.0012927700000000,  0.0000000000000000 ]  - [  -0.0001098400000000,  0.0000924900000000,  0.0000000000000000 ]  - [  -0.0036949300000000, -0.0004302300000000,  0.0000000000000000 ]  - [  -0.0001588100000000,  0.0000311800000000,  0.0000000000000000 ]  - [   0.0770267300000000,  0.0652920600000000,  0.0000000000000000 ]  - [   0.0336706800000000,  0.0604987100000000,  0.0000000000000000 ]  - [  -0.0701931900000000, -0.0005141100000000,  0.0000000000000000 ]  - [  -0.0691799500000000, -0.0000194600000000,  0.0000000000000000 ]  - [   0.0343835600000000, -0.0598564800000000,  0.0000000000000000 ]  - [   0.0344670200000000, -0.0598176400000000,  0.0000000000000000 ]  - [   0.0007885900000000, -0.0016982400000000,  0.0018473800000000 ]  - [   0.0000274800000000, -0.0006439400000000,  0.0016399000000000 ]  - [   0.0035324600000000,  0.0020463000000000, -0.0037769500000000 ]  - [   0.0005941700000000, -0.0005240500000000, -0.0016294500000000 ]  - [  -0.0081633900000000, -0.0056882700000000,  0.0071570600000000 ]  - [  -0.0000750900000000,  0.0004726700000000, -0.0017448800000000 ]  - [  -0.0081633900000000, -0.0056882700000000, -0.0071570600000000 ]  - [  -0.0000750900000000,  0.0004726700000000,  0.0017448800000000 ]  - [   0.0035324600000000,  0.0020463000000000,  0.0037769500000000 ]  - [   0.0005941700000000, -0.0005240500000000,  0.0016294500000000 ]  - [   0.0081284600000000,  0.0007451200000000, -0.0001966900000000 ]  - [   0.0004905600000000, -0.0000792800000000,  0.0012565700000000 ]  - [   0.0081284600000000,  0.0007451200000000,  0.0001966900000000 ]  - [   0.0004905600000000, -0.0000792800000000, -0.0012565700000000 ]  - [   0.0008105100000000, -0.0024208900000000, -0.0008979700000000 ]  - [   0.0002806700000000, -0.0003058400000000, -0.0010205500000000 ]  - [   0.0008105100000000, -0.0024208900000000,  0.0008979700000000 ]  - [   0.0002806700000000, -0.0003058400000000,  0.0010205500000000 ]  - [   0.0005174900000000, -0.0005156800000000, -0.0004205300000000 ]  - [   0.0005174900000000, -0.0005156800000000,  0.0004205300000000 ]  - [   0.0002509400000000,  0.0001091900000000,  0.0001503200000000 ]  - [   0.0002509400000000,  0.0001091900000000, -0.0001503200000000 ]  - [  -0.0007931700000000,  0.0014383500000000,  0.0000000000000000 ]  - [  -0.0004661000000000, -0.0005984800000000,  0.0000000000000000 ]  - [   0.0028971600000000, -0.0028735000000000,  0.0000000000000000 ]  - [   0.0007544400000000, -0.0000589200000000,  0.0000000000000000 ]  - [  -0.0005955900000000,  0.0001815100000000, -0.0003655500000000 ]  - [  -0.0005955900000000,  0.0001815100000000,  0.0003655500000000 ]  - [   0.0028751600000000, -0.0009266000000000,  0.0000000000000000 ]  - [  -0.0002585300000000,  0.0005992300000000,  0.0000000000000000 ]  - [  -0.0521840400000000, -0.0647291100000000, -0.0022389600000000 ]  - [  -0.0360995600000000, -0.0632900900000000,  0.0092629800000000 ]  - [  -0.0364120900000000,  0.0629681300000000, -0.0091801100000000 ]  - [  -0.0361700900000000,  0.0631576400000000, -0.0104427200000000 ]  - [  -0.0364120900000000,  0.0629681300000000,  0.0091801100000000 ]  - [  -0.0361700900000000,  0.0631576400000000,  0.0104427200000000 ]  - [   0.0773273200000000,  0.0039161200000000,  0.0106180300000000 ]  - [   0.0726570100000000,  0.0000294600000000,  0.0089137400000000 ]  - [  -0.0521840400000000, -0.0647291100000000,  0.0022389600000000 ]  - [  -0.0360995600000000, -0.0632900900000000, -0.0092629800000000 ]  - [   0.0773273200000000,  0.0039161200000000, -0.0106180300000000 ]  - [   0.0726570100000000,  0.0000294600000000, -0.0089137400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0378507400000000, -0.0626425600000000,  0.0068650500000000 ]  - [   0.0365443300000000, -0.0662044400000000,  0.0067948300000000 ]  - [  -0.0731754200000000,  0.0014584300000000,  0.0068650500000000 ]  - [  -0.0756068900000000, -0.0014539000000000,  0.0067948300000000 ]  - [   0.0366118600000000,  0.0634136000000000,  0.0675506700000000 ]  - [   0.0378171300000000,  0.0655011800000000,  0.0683092500000000 ]  - [   0.0010934600000000, -0.0039634400000000, -0.0039291900000000 ]  - [   0.0002152700000000, -0.0015625600000000,  0.0015157200000000 ]  - [   0.0073763200000000, -0.0234417300000000,  0.0090868500000000 ]  - [  -0.0027645100000000,  0.0036776600000000,  0.0035946200000000 ]  - [   0.0032082600000000,  0.0004393000000000, -0.0040529300000000 ]  - [   0.0008709300000000,  0.0015497000000000,  0.0013090000000000 ]  - [   0.0265701700000000,  0.0026424300000000,  0.0110397500000000 ]  - [  -0.0021965400000000, -0.0021752900000000,  0.0055766700000000 ]  - [  -0.0008812000000000,  0.0022990800000000, -0.0020955100000000 ]  - [   0.0014375800000000,  0.0011954200000000,  0.0033033600000000 ]  - [   0.0000987400000000,  0.0005620800000000, -0.0019712100000000 ]  - [   0.0009941700000000, -0.0018178800000000,  0.0035082100000000 ]  - [  -0.0109966800000000,  0.0243316600000000,  0.0110397500000000 ]  - [  -0.0007855900000000, -0.0029899100000000,  0.0055766700000000 ]  - [  -0.0012236800000000,  0.0029980800000000, -0.0040529300000000 ]  - [   0.0009066200000000,  0.0015291000000000,  0.0013090000000000 ]  - [  -0.0039791700000000, -0.0010347500000000, -0.0039291900000000 ]  - [  -0.0014608500000000, -0.0005948600000000,  0.0015157200000000 ]  - [   0.0004374100000000,  0.0003665500000000, -0.0019712100000000 ]  - [  -0.0020714100000000, -0.0000479600000000,  0.0035082100000000 ]  - [   0.0024316600000000,  0.0003864000000000, -0.0020955100000000 ]  - [   0.0003164800000000,  0.0018426900000000,  0.0033033600000000 ]  - [  -0.0239892900000000, -0.0053327900000000,  0.0090868500000000 ]  - [   0.0045672000000000, -0.0005553100000000,  0.0035946200000000 ]  - [  -0.0015697800000000, -0.0027189400000000, -0.0038244800000000 ]  - [   0.0000026100000000,  0.0000045300000000,  0.0003862300000000 ]  - [   0.0000067200000000, -0.0000181800000000, -0.0151613000000000 ]  - [  -0.0000025600000000,  0.0000049200000000,  0.0072221800000000 ]  - [  -0.0000191000000000, -0.0000032700000000, -0.0151613000000000 ]  - [   0.0000055400000000,  0.0000002500000000,  0.0072221800000000 ]  - [   0.0351554400000000,  0.0608910100000000, -0.2366553700000000 ]  - [   0.0345254500000000,  0.0597998300000000,  0.0296150100000000 ]  - [  -0.0690281400000000,  0.0000056600000000, -0.0236194600000000 ]  - [  -0.0690287800000000, -0.0000002300000000,  0.0129799700000000 ]  - [   0.0345189700000000, -0.0597773000000000, -0.0236194600000000 ]  - [   0.0345141900000000, -0.0597808000000000,  0.0129799700000000 ]  - [   0.0010740400000000,  0.0018602900000000, -0.0004574800000000 ]  - [  -0.0004915000000000, -0.0008513000000000,  0.0037125900000000 ]  - [   0.0030041200000000, -0.0394467400000000,  0.0033336200000000 ]  - [   0.0000774000000000,  0.0048539900000000,  0.0021380500000000 ]  - [  -0.0356639400000000, -0.0171217200000000,  0.0033336200000000 ]  - [   0.0041649700000000,  0.0024940300000000,  0.0021380500000000 ]  - [   0.0349375800000000,  0.0179016400000000,  0.0068151600000000 ]  - [  -0.0047143000000000, -0.0016823000000000,  0.0054741700000000 ]  - [  -0.0019655100000000,  0.0392076500000000,  0.0068151600000000 ]  - [   0.0009002300000000, -0.0049238600000000,  0.0054741700000000 ]  - [   0.0147546800000000,  0.0028314700000000,  0.0156271100000000 ]  - [  -0.0026117800000000, -0.0003028500000000, -0.0053399100000000 ]  - [  -0.0147339500000000, -0.0028164100000000,  0.0137249200000000 ]  - [   0.0025812200000000,  0.0003064600000000, -0.0073758400000000 ]  - [   0.0049278900000000, -0.0141681800000000,  0.0137249200000000 ]  - [  -0.0010252100000000,  0.0023886300000000, -0.0073758400000000 ]  - [  -0.0049252100000000,  0.0141936700000000,  0.0156271100000000 ]  - [   0.0010436200000000, -0.0024133000000000, -0.0053399100000000 ]  - [   0.0018714200000000, -0.0012520700000000, -0.0015887300000000 ]  - [  -0.0011274900000000,  0.0012571300000000, -0.0015676700000000 ]  - [  -0.0020200400000000,  0.0009946600000000, -0.0015887300000000 ]  - [   0.0016524500000000, -0.0003478700000000, -0.0015676700000000 ]  - [  -0.0003370900000000, -0.0005838600000000,  0.0059680400000000 ]  - [  -0.0003698700000000, -0.0006406300000000, -0.0023049000000000 ]  - [   0.0007791600000000, -0.0000405300000000,  0.0063782500000000 ]  - [   0.0007340900000000,  0.0000013300000000, -0.0023213800000000 ]  - [   0.0008988500000000,  0.0015568600000000, -0.0016663900000000 ]  - [  -0.0012774200000000, -0.0022125600000000, -0.0016447200000000 ]  - [  -0.0004246800000000,  0.0006545100000000,  0.0063782500000000 ]  - [  -0.0003659000000000,  0.0006364100000000, -0.0023213800000000 ]  - [  -0.0371326600000000, -0.0643156500000000,  0.0336423300000000 ]  - [  -0.0374079000000000, -0.0647923800000000, -0.0348323000000000 ]  - [  -0.0308943500000000,  0.0845154300000000,  0.0025593200000000 ]  - [  -0.0365630000000000,  0.0585213300000000, -0.0243216500000000 ]  - [  -0.0415658100000000,  0.0410347500000000,  0.0219467300000000 ]  - [  -0.0358909500000000,  0.0670329100000000, -0.0047881900000000 ]  - [   0.0563200400000000, -0.0154796700000000,  0.0219467300000000 ]  - [   0.0759976800000000,  0.0024339800000000, -0.0047881900000000 ]  - [  -0.0360394400000000, -0.0624221400000000,  0.0210422700000000 ]  - [  -0.0350712300000000, -0.0607451600000000, -0.0541618600000000 ]  - [   0.0886396900000000,  0.0155024200000000,  0.0025593200000000 ]  - [   0.0689624600000000, -0.0024038300000000, -0.0243216500000000 ]- atom:   53  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0357421600000000, -0.0673869600000000,  0.0046954500000000 ]  - [   0.0370060200000000, -0.0646172700000000, -0.0007851200000000 ]  - [  -0.0776744800000000,  0.0027910400000000,  0.0093696200000000 ]  - [  -0.0744355700000000,  0.0001219900000000, -0.0013331400000000 ]  - [   0.0298298800000000,  0.0627547800000000, -0.0141576900000000 ]  - [   0.0367974600000000,  0.0645163500000000,  0.0021180600000000 ]  - [   0.0021324600000000,  0.0068075300000000, -0.0014304700000000 ]  - [   0.0006991800000000, -0.0015281100000000, -0.0010016500000000 ]  - [  -0.0102302500000000,  0.0082193800000000, -0.0004482300000000 ]  - [  -0.0019437600000000,  0.0007851900000000, -0.0009913500000000 ]  - [  -0.0017442900000000,  0.0008798900000000, -0.0010933500000000 ]  - [   0.0008625800000000,  0.0014524500000000, -0.0009823800000000 ]  - [   0.0046301200000000, -0.0007871000000000,  0.0001756900000000 ]  - [   0.0023768800000000, -0.0014149300000000, -0.0009951300000000 ]  - [   0.0005041800000000,  0.0012479300000000,  0.0006495000000000 ]  - [   0.0004375500000000,  0.0012836000000000,  0.0013978400000000 ]  - [   0.0010757000000000, -0.0009140400000000,  0.0007029000000000 ]  - [   0.0010121800000000, -0.0008056600000000,  0.0011763200000000 ]  - [  -0.0026460300000000,  0.0016345300000000,  0.0016135400000000 ]  - [  -0.0027716000000000,  0.0017101300000000,  0.0004079800000000 ]  - [   0.1018182400000000, -0.0888082000000000, -0.0456106800000000 ]  - [   0.0008571800000000,  0.0014416700000000, -0.0009889700000000 ]  - [   0.0530838300000000,  0.0579327600000000, -0.0260775700000000 ]  - [  -0.0016778800000000, -0.0002025500000000, -0.0009927200000000 ]  - [  -0.0013942600000000,  0.0008014100000000,  0.0013633000000000 ]  - [  -0.0008072500000000, -0.0003279500000000,  0.0016787400000000 ]  - [   0.0020805400000000, -0.0001580000000000,  0.0014569800000000 ]  - [   0.0016481000000000,  0.0014592500000000,  0.0023097200000000 ]  - [   0.1978690400000000,  0.0210629600000000,  0.0649365200000000 ]  - [   0.0016542600000000, -0.0012978800000000, -0.0009923600000000 ]  - [  -0.0010720900000000,  0.0004944100000000, -0.0021349900000000 ]  - [  -0.0012337600000000,  0.0003825100000000, -0.0010075300000000 ]  - [  -0.0008258800000000,  0.0008228700000000, -0.0000031800000000 ]  - [  -0.0001626400000000,  0.0003447100000000,  0.0000015300000000 ]  - [   0.0239865100000000, -0.0000037000000000, -0.0007666600000000 ]  - [   0.0006187300000000, -0.0000201800000000,  0.0000028800000000 ]  - [   0.0263883800000000,  0.0579870000000000,  0.0147597800000000 ]  - [   0.0340275300000000,  0.0599755400000000, -0.0026014400000000 ]  - [  -0.0720567400000000,  0.0037128600000000, -0.0098027300000000 ]  - [  -0.0690679400000000,  0.0001740000000000,  0.0015596900000000 ]  - [   0.0337146900000000, -0.0632729500000000, -0.0049120600000000 ]  - [   0.0342390000000000, -0.0599836700000000,  0.0010328300000000 ]  - [  -0.0034618900000000,  0.0003271600000000,  0.0002565400000000 ]  - [  -0.0003759600000000, -0.0003707100000000,  0.0017227800000000 ]  - [   0.0002506600000000, -0.0033716200000000, -0.0012759100000000 ]  - [   0.0003319600000000, -0.0037428700000000, -0.0019281100000000 ]  - [  -0.0045020600000000, -0.0013138200000000, -0.0016015000000000 ]  - [  -0.0047709000000000, -0.0017718300000000, -0.0020670000000000 ]  - [  -0.0253208700000000, -0.0073976600000000,  0.0027715000000000 ]  - [  -0.0012205700000000, -0.0001564800000000,  0.0016040200000000 ]  - [  -0.0061502200000000, -0.0223766200000000,  0.0019817000000000 ]  - [   0.0004782900000000, -0.0009930300000000,  0.0016764100000000 ]  - [  -0.4583342700000000,  0.0033727700000000,  0.0055542700000000 ]  - [  -0.0004997900000000,  0.0000028500000000,  0.0010152700000000 ]  - [   0.0009798400000000,  0.0000005100000000, -0.0009937300000000 ]  - [  -0.0035642100000000,  0.0000039100000000, -0.0010239000000000 ]  - [   0.0009730500000000, -0.0010092000000000, -0.0010066200000000 ]  - [   0.0007891600000000, -0.0014471500000000, -0.0010211700000000 ]  - [   0.0012168200000000, -0.0092478500000000,  0.0010144100000000 ]  - [   0.0002198100000000, -0.0004428400000000,  0.0010161300000000 ]  - [  -0.0029371800000000,  0.0030917300000000,  0.0013954300000000 ]  - [   0.0002337400000000,  0.0001213900000000, -0.0000347800000000 ]  - [   0.0052570700000000,  0.0017784300000000, -0.0046429200000000 ]  - [  -0.0000175300000000,  0.0002909100000000,  0.0001180900000000 ]  - [   0.0008520100000000, -0.0085756800000000, -0.0046611900000000 ]  - [  -0.0005357900000000, -0.0009557900000000,  0.0000808500000000 ]  - [  -0.0020319100000000,  0.0049510700000000, -0.0027305700000000 ]  - [   0.0005300600000000,  0.0001533000000000,  0.0000364000000000 ]  - [  -0.0005742600000000, -0.0055917900000000,  0.0031788700000000 ]  - [  -0.0003068600000000, -0.0005515900000000, -0.0000803700000000 ]  - [   0.0101227300000000,  0.0026075400000000,  0.0074943700000000 ]  - [  -0.0001454300000000,  0.0005872400000000, -0.0001204900000000 ]  - [   0.0470525200000000, -0.0370021400000000,  0.0048115400000000 ]  - [  -0.0356702500000000, -0.0623661500000000,  0.0101541500000000 ]  - [  -0.0354909500000000,  0.0649943700000000, -0.0058342200000000 ]  - [  -0.0346915200000000,  0.0651178600000000, -0.0136470700000000 ]  - [  -0.0245513100000000,  0.0994768000000000,  0.0119654900000000 ]  - [  -0.0358433100000000,  0.0633074700000000,  0.0095240700000000 ]  - [   0.1105490100000000, -0.0308192200000000,  0.0123603200000000 ]  - [   0.0728080100000000,  0.0003261900000000,  0.0095353300000000 ]  - [  -0.0333643300000000, -0.0600848600000000, -0.0213250000000000 ]  - [  -0.0326931600000000, -0.0611103100000000,  0.0019987800000000 ]  - [   0.0746422900000000,  0.0006412800000000, -0.0020369300000000 ]  - [   0.0744195700000000,  0.0002788600000000, -0.0175347500000000 ]- atom:   53  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0386613600000000, -0.0614554000000000, -0.0047373100000000 ]  - [   0.0373892700000000, -0.0642295200000000,  0.0007905700000000 ]  - [  -0.0710996000000000, -0.0027919000000000, -0.0094191800000000 ]  - [  -0.0743453900000000, -0.0001248000000000,  0.0013296800000000 ]  - [   0.0445499600000000,  0.0660977500000000,  0.0140632200000000 ]  - [   0.0375852300000000,  0.0643352900000000, -0.0021195300000000 ]  - [  -0.0009508000000000, -0.0102200000000000, -0.0005449700000000 ]  - [   0.0005129700000000, -0.0018555700000000, -0.0009780200000000 ]  - [   0.0067095900000000, -0.0075346200000000, -0.0015272000000000 ]  - [  -0.0015918800000000, -0.0001445300000000, -0.0009884800000000 ]  - [   0.0040645600000000,  0.0018309200000000, -0.0008901000000000 ]  - [   0.0014508200000000,  0.0012912500000000, -0.0009997200000000 ]  - [  -0.0023281100000000, -0.0019542700000000,  0.0018109500000000 ]  - [  -0.0000417300000000, -0.0013213400000000,  0.0029953400000000 ]  - [   0.0018177300000000,  0.0014904500000000,  0.0013268500000000 ]  - [   0.0018803600000000,  0.0014565200000000,  0.0005892000000000 ]  - [   0.0001354000000000, -0.0024732100000000,  0.0012716200000000 ]  - [   0.0001960300000000, -0.0025804600000000,  0.0008070500000000 ]  - [  -0.0008927000000000, -0.0009900300000000,  0.0003580800000000 ]  - [  -0.0007648100000000, -0.0010617300000000,  0.0015763400000000 ]  - [  -0.0983089700000000,  0.0874565900000000,  0.0417029100000000 ]  - [   0.0003614200000000,  0.0019354900000000, -0.0009920100000000 ]  - [  -0.0572059600000000, -0.0578635300000000,  0.0237787700000000 ]  - [  -0.0018581300000000, -0.0004378900000000, -0.0009857400000000 ]  - [  -0.0021277400000000, -0.0014230100000000,  0.0006358700000000 ]  - [  -0.0027301500000000, -0.0003214000000000,  0.0003075000000000 ]  - [  -0.0008405100000000,  0.0035243300000000,  0.0005396400000000 ]  - [  -0.0004380300000000,  0.0019256200000000, -0.0003188800000000 ]  - [  -0.2105086100000000, -0.0265840300000000, -0.0723213100000000 ]  - [   0.0006688100000000, -0.0014434500000000, -0.0009871600000000 ]  - [   0.0005826600000000, -0.0013451200000000, -0.0012059900000000 ]  - [   0.0007532000000000, -0.0012366700000000, -0.0023273600000000 ]  - [   0.0008215900000000, -0.0008306100000000, -0.0000033400000000 ]  - [   0.0001621000000000, -0.0003445200000000,  0.0000016000000000 ]  - [  -0.0240656800000000, -0.0000383200000000, -0.0007674600000000 ]  - [  -0.0006180500000000,  0.0000187800000000,  0.0000025300000000 ]  - [   0.0426891200000000,  0.0616053000000000, -0.0147274700000000 ]  - [   0.0349964500000000,  0.0595890300000000,  0.0025909500000000 ]  - [  -0.0660115100000000, -0.0037043300000000,  0.0098311600000000 ]  - [  -0.0689921700000000, -0.0001765000000000, -0.0015638300000000 ]  - [   0.0353307900000000, -0.0562916200000000,  0.0049400200000000 ]  - [   0.0347929300000000, -0.0595792500000000, -0.0010352600000000 ]  - [   0.0029942700000000, -0.0012338700000000,  0.0030824000000000 ]  - [  -0.0001059000000000, -0.0004754100000000,  0.0016129500000000 ]  - [   0.0007257400000000,  0.0033813900000000, -0.0020640300000000 ]  - [   0.0006451200000000,  0.0037450700000000, -0.0014074200000000 ]  - [   0.0040044800000000,  0.0021637600000000, -0.0017446900000000 ]  - [   0.0042676100000000,  0.0026094300000000, -0.0012694200000000 ]  - [   0.0246983800000000,  0.0082521000000000,  0.0005695000000000 ]  - [   0.0007341700000000,  0.0010007300000000,  0.0017319700000000 ]  - [   0.0071791400000000,  0.0223943200000000,  0.0013597600000000 ]  - [   0.0004956300000000,  0.0009921100000000,  0.0016599200000000 ]  - [   0.4715501300000000,  0.0033743100000000,  0.0056595800000000 ]  - [   0.0004968400000000,  0.0000030000000000,  0.0010214200000000 ]  - [  -0.0009924100000000,  0.0000007200000000, -0.0009991100000000 ]  - [   0.0035666400000000,  0.0000039900000000, -0.0010299200000000 ]  - [  -0.0009661000000000,  0.0010163900000000, -0.0010128000000000 ]  - [  -0.0007800200000000,  0.0014467800000000, -0.0010272900000000 ]  - [  -0.0011974000000000,  0.0092702200000000,  0.0010206800000000 ]  - [  -0.0002112000000000,  0.0004439100000000,  0.0010223400000000 ]  - [   0.0036908000000000, -0.0031172700000000, -0.0014189700000000 ]  - [   0.0005168300000000, -0.0001210100000000,  0.0000360900000000 ]  - [  -0.0055818000000000, -0.0011154200000000,  0.0045713000000000 ]  - [  -0.0003589800000000,  0.0003586700000000, -0.0001153100000000 ]  - [  -0.0015838200000000,  0.0073727800000000,  0.0047165200000000 ]  - [  -0.0002006900000000, -0.0003190000000000, -0.0000828700000000 ]  - [   0.0035276100000000, -0.0049662200000000,  0.0027526800000000 ]  - [   0.0009413900000000, -0.0001540700000000, -0.0000386100000000 ]  - [   0.0001913500000000,  0.0049827700000000, -0.0032205000000000 ]  - [  -0.0000677200000000, -0.0000984900000000,  0.0000821800000000 ]  - [  -0.0107168700000000, -0.0013009500000000, -0.0073674000000000 ]  - [  -0.0005902500000000,  0.0006865600000000,  0.0001182600000000 ]  - [  -0.1196160200000000, -0.0885498900000000,  0.0145470000000000 ]  - [  -0.0367915100000000, -0.0631507600000000,  0.0093271800000000 ]  - [  -0.0369886000000000,  0.0605060200000000, -0.0136460700000000 ]  - [  -0.0377870400000000,  0.0604128400000000, -0.0058170700000000 ]  - [  -0.0479595400000000,  0.0260857800000000,  0.0075177200000000 ]  - [  -0.0366271000000000,  0.0622093700000000,  0.0099499600000000 ]  - [   0.0344265000000000,  0.0307799400000000,  0.0070773500000000 ]  - [   0.0721241600000000, -0.0003227800000000,  0.0099423500000000 ]  - [  -0.0390777900000000, -0.0654426100000000,  0.0018760200000000 ]  - [  -0.0397814200000000, -0.0644224600000000, -0.0214428800000000 ]  - [   0.0702808000000000, -0.0006306600000000, -0.0174324800000000 ]  - [   0.0705327400000000, -0.0002717800000000, -0.0019278400000000 ]- atom:   53  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0374211500000000, -0.0637267800000000, -0.0013812800000000 ]  - [   0.0368654100000000, -0.0657591400000000, -0.0056204700000000 ]  - [  -0.0738995800000000, -0.0005442700000000, -0.0013812800000000 ]  - [  -0.0753817900000000,  0.0009531900000000, -0.0056204700000000 ]  - [   0.0364784400000000,  0.0642710500000000, -0.0013812800000000 ]  - [   0.0385163900000000,  0.0648059500000000, -0.0056204700000000 ]  - [  -0.0002637400000000, -0.0043821500000000,  0.0014563100000000 ]  - [   0.0007582700000000, -0.0015200000000000, -0.0022438000000000 ]  - [  -0.0036631800000000,  0.0024194800000000,  0.0014563100000000 ]  - [  -0.0016954900000000,  0.0001033200000000, -0.0022438000000000 ]  - [   0.0039269200000000,  0.0019626700000000,  0.0014563100000000 ]  - [   0.0009372200000000,  0.0014166800000000, -0.0022438000000000 ]  - [   0.0180066300000000,  0.0020349500000000, -0.0108365600000000 ]  - [  -0.0007213100000000, -0.0018261000000000, -0.0017770100000000 ]  - [   0.0005832200000000,  0.0008279600000000,  0.0015509100000000 ]  - [   0.0012281900000000,  0.0014895100000000, -0.0002157700000000 ]  - [   0.0004254200000000, -0.0009190600000000,  0.0015509100000000 ]  - [   0.0006758600000000, -0.0018084000000000, -0.0002157700000000 ]  - [  -0.0010086400000000,  0.0000911000000000,  0.0015509100000000 ]  - [  -0.0019040400000000,  0.0003188900000000, -0.0002157700000000 ]  - [  -0.0353256200000000,  0.0475448300000000,  0.0524124600000000 ]  - [   0.0006484500000000,  0.0016545600000000, -0.0026126900000000 ]  - [  -0.0235122200000000, -0.0543653000000000,  0.0524124600000000 ]  - [  -0.0017571200000000, -0.0002657000000000, -0.0026126900000000 ]  - [  -0.0072409900000000, -0.0166116800000000, -0.0108365600000000 ]  - [  -0.0012207900000000,  0.0015377200000000, -0.0017770100000000 ]  - [  -0.0107656400000000,  0.0145767200000000, -0.0108365600000000 ]  - [   0.0019421000000000,  0.0002883800000000, -0.0017770100000000 ]  - [   0.0588378400000000,  0.0068204700000000,  0.0524124600000000 ]  - [   0.0011086600000000, -0.0013888600000000, -0.0026126900000000 ]  - [  -0.0004855100000000, -0.0011359800000000, -0.0011937800000000 ]  - [  -0.0001281200000000, -0.0003196300000000, -0.0027610700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052050300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027598200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1971688000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0037779400000000 ]  - [   0.0357592600000000,  0.0606502300000000,  0.0146947200000000 ]  - [   0.0342809400000000,  0.0596471900000000, -0.0063544200000000 ]  - [  -0.0704042700000000,  0.0006433100000000,  0.0146947200000000 ]  - [  -0.0687964500000000, -0.0001354300000000, -0.0063544200000000 ]  - [   0.0346450200000000, -0.0612935400000000,  0.0146947200000000 ]  - [   0.0345155100000000, -0.0595117600000000, -0.0063544200000000 ]  - [  -0.0004894700000000, -0.0012588200000000,  0.0051369200000000 ]  - [  -0.0003938300000000, -0.0002261800000000,  0.0003499600000000 ]  - [   0.0012265500000000,  0.0001475200000000, -0.0011937800000000 ]  - [   0.0003408600000000,  0.0000488600000000, -0.0027610700000000 ]  - [  -0.0007410300000000,  0.0009884600000000, -0.0011937800000000 ]  - [  -0.0002127500000000,  0.0002707700000000, -0.0027610700000000 ]  - [  -0.0008454400000000,  0.0010533000000000,  0.0051369200000000 ]  - [   0.0000010300000000,  0.0004541600000000,  0.0003499600000000 ]  - [   0.0013349100000000,  0.0002055200000000,  0.0051369200000000 ]  - [   0.0003927900000000, -0.0002279700000000,  0.0003499600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3918902200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047218400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0675420300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049062400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033395600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016478100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069077600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037003700000000 ]  - [   0.0018765200000000,  0.0044562300000000,  0.0025797800000000 ]  - [   0.0000997100000000, -0.0007846700000000,  0.0015668000000000 ]  - [  -0.0047974700000000, -0.0006030000000000,  0.0025797800000000 ]  - [   0.0006296900000000,  0.0004786900000000,  0.0015668000000000 ]  - [  -0.0062431000000000,  0.0070887000000000, -0.0017774800000000 ]  - [  -0.0003081800000000, -0.0007393500000000,  0.0011316200000000 ]  - [  -0.0030174500000000, -0.0089510400000000, -0.0017774800000000 ]  - [   0.0007943800000000,  0.0001027800000000,  0.0011316200000000 ]  - [   0.0029209500000000, -0.0038532300000000,  0.0025797800000000 ]  - [  -0.0007294000000000,  0.0003059800000000,  0.0015668000000000 ]  - [   0.0092605500000000,  0.0018623300000000, -0.0017774800000000 ]  - [  -0.0004862100000000,  0.0006365600000000,  0.0011316200000000 ]  - [  -0.0207608300000000, -0.0606281100000000, -0.0038834300000000 ]  - [  -0.0362528300000000, -0.0620461600000000,  0.0185183000000000 ]  - [  -0.0325780500000000,  0.0740282300000000, -0.0143691200000000 ]  - [  -0.0369966900000000,  0.0609386600000000, -0.0031098400000000 ]  - [  -0.0421250700000000,  0.0482934600000000, -0.0038834300000000 ]  - [  -0.0356071400000000,  0.0624189500000000,  0.0185183000000000 ]  - [   0.0628859000000000,  0.0123346500000000, -0.0038834300000000 ]  - [   0.0718599700000000, -0.0003727900000000,  0.0185183000000000 ]  - [  -0.0478213000000000, -0.0652275300000000, -0.0143691200000000 ]  - [  -0.0342760800000000, -0.0625094000000000, -0.0031098400000000 ]  - [   0.0803993500000000, -0.0088006900000000, -0.0143691200000000 ]  - [   0.0712727700000000,  0.0015707500000000, -0.0031098400000000 ]- atom:   53  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0369675300000000, -0.0651430600000000,  0.0013252700000000 ]  - [   0.0375271900000000, -0.0630931800000000,  0.0056425100000000 ]  - [  -0.0748993200000000,  0.0005567100000000,  0.0013252700000000 ]  - [  -0.0734038900000000, -0.0009529100000000,  0.0056425100000000 ]  - [   0.0379317800000000,  0.0645863600000000,  0.0013252700000000 ]  - [   0.0358767000000000,  0.0640460800000000,  0.0056425100000000 ]  - [   0.0014847400000000,  0.0010008300000000, -0.0034321100000000 ]  - [   0.0004740800000000, -0.0018392500000000,  0.0002644500000000 ]  - [   0.0001243700000000, -0.0017862300000000, -0.0034321100000000 ]  - [  -0.0018298800000000,  0.0005090500000000,  0.0002644500000000 ]  - [  -0.0016091100000000,  0.0007854100000000, -0.0034321100000000 ]  - [   0.0013557900000000,  0.0013301900000000,  0.0002644500000000 ]  - [  -0.0157155800000000, -0.0047822200000000,  0.0127913200000000 ]  - [   0.0030438400000000, -0.0009138800000000,  0.0037807600000000 ]  - [   0.0017051400000000,  0.0019175500000000,  0.0004329000000000 ]  - [   0.0010632100000000,  0.0012555200000000,  0.0021920900000000 ]  - [   0.0008080700000000, -0.0024354700000000,  0.0004329000000000 ]  - [   0.0005557000000000, -0.0015485300000000,  0.0021920900000000 ]  - [  -0.0025132200000000,  0.0005179200000000,  0.0004329000000000 ]  - [  -0.0016189200000000,  0.0002930100000000,  0.0021920900000000 ]  - [   0.0367836900000000, -0.0444667400000000, -0.0536800900000000 ]  - [   0.0005829800000000,  0.0017059500000000,  0.0006333100000000 ]  - [   0.0201174800000000,  0.0540889800000000, -0.0536800900000000 ]  - [  -0.0017688800000000, -0.0003481000000000,  0.0006333100000000 ]  - [   0.0037162700000000,  0.0160012000000000,  0.0127913200000000 ]  - [  -0.0023133700000000, -0.0021791100000000,  0.0037807600000000 ]  - [   0.0119993100000000, -0.0112189800000000,  0.0127913200000000 ]  - [  -0.0007304800000000,  0.0030929900000000,  0.0037807600000000 ]  - [  -0.0569011700000000, -0.0096222400000000, -0.0536800900000000 ]  - [   0.0011859000000000, -0.0013578500000000,  0.0006333100000000 ]  - [   0.0000015700000000,  0.0002872600000000, -0.0021424900000000 ]  - [  -0.0003584100000000, -0.0005204000000000, -0.0005779600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051813400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027594900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1818320000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037923000000000 ]  - [   0.0332926500000000,  0.0589170500000000, -0.0146548300000000 ]  - [   0.0347517900000000,  0.0599162000000000,  0.0063598700000000 ]  - [  -0.0676699900000000, -0.0006262400000000, -0.0146548300000000 ]  - [  -0.0692648400000000,  0.0001378400000000,  0.0063598700000000 ]  - [   0.0343773400000000, -0.0582908100000000, -0.0146548300000000 ]  - [   0.0345130500000000, -0.0600540300000000,  0.0063598700000000 ]  - [   0.0000151600000000,  0.0003895300000000, -0.0017826700000000 ]  - [  -0.0000901400000000, -0.0006158000000000,  0.0029886800000000 ]  - [  -0.0002495600000000, -0.0001422700000000, -0.0021424900000000 ]  - [   0.0006298800000000, -0.0000501900000000, -0.0005779600000000 ]  - [   0.0002479900000000, -0.0001449900000000, -0.0021424900000000 ]  - [  -0.0002714700000000,  0.0005705900000000, -0.0005779600000000 ]  - [   0.0003297700000000, -0.0002078900000000, -0.0017826700000000 ]  - [  -0.0004882300000000,  0.0003859600000000,  0.0029886800000000 ]  - [  -0.0003449200000000, -0.0001816400000000, -0.0017826700000000 ]  - [   0.0005783700000000,  0.0002298400000000,  0.0029886800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3760426600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026886100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0690996700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0069911900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012856700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036881100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089191400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016613500000000 ]  - [  -0.0011455000000000, -0.0045103000000000, -0.0025800100000000 ]  - [   0.0006488000000000,  0.0007799000000000, -0.0015641000000000 ]  - [   0.0044787800000000,  0.0012631200000000, -0.0025800100000000 ]  - [  -0.0009998100000000,  0.0001719300000000, -0.0015641000000000 ]  - [   0.0054882200000000, -0.0083339500000000,  0.0017492200000000 ]  - [  -0.0004291700000000, -0.0005329500000000, -0.0011339700000000 ]  - [   0.0044733000000000,  0.0089199100000000,  0.0017492200000000 ]  - [   0.0006761300000000, -0.0001051900000000, -0.0011339700000000 ]  - [  -0.0033332800000000,  0.0032471800000000, -0.0025800100000000 ]  - [   0.0003510100000000, -0.0009518300000000, -0.0015641000000000 ]  - [  -0.0099615200000000, -0.0005859600000000,  0.0017492200000000 ]  - [  -0.0002469700000000,  0.0006381500000000, -0.0011339700000000 ]  - [  -0.0516642000000000, -0.0648946500000000,  0.0233631100000000 ]  - [  -0.0362127300000000, -0.0634672100000000,  0.0009471200000000 ]  - [  -0.0398798400000000,  0.0515037200000000, -0.0051288200000000 ]  - [  -0.0354585100000000,  0.0646085400000000, -0.0163458700000000 ]  - [  -0.0303683200000000,  0.0771898300000000,  0.0233631100000000 ]  - [  -0.0368578600000000,  0.0630947500000000,  0.0009471200000000 ]  - [   0.0820325200000000, -0.0122951800000000,  0.0233631100000000 ]  - [   0.0730705800000000,  0.0003724700000000,  0.0009471200000000 ]  - [  -0.0246636100000000, -0.0602888200000000, -0.0051288200000000 ]  - [  -0.0382233900000000, -0.0630122400000000, -0.0163458700000000 ]  - [   0.0645434500000000,  0.0087850900000000, -0.0051288200000000 ]  - [   0.0736818900000000, -0.0015963000000000, -0.0163458700000000 ]- atom:   61  displacement:    [  -0.0050000000038040,  0.0086602540356482,  0.0000000000000000 ]  forces:  - [   0.0362621000000000, -0.0638322400000000,  0.0000000000000000 ]  - [   0.0371268800000000, -0.0644400200000000,  0.0000000000000000 ]  - [  -0.0725966100000000,  0.0011897600000000,  0.0000000000000000 ]  - [  -0.0743784900000000,  0.0001403400000000,  0.0000000000000000 ]  - [   0.0401297700000000,  0.0629733900000000,  0.0000000000000000 ]  - [   0.0372935500000000,  0.0643532000000000,  0.0000000000000000 ]  - [   0.0027781500000000,  0.0000459800000000,  0.0003775300000000 ]  - [   0.0006655400000000, -0.0016364500000000, -0.0011660600000000 ]  - [  -0.0006608700000000, -0.0026778300000000, -0.0010078800000000 ]  - [  -0.0016123400000000, -0.0000898900000000, -0.0010682300000000 ]  - [  -0.0020671300000000,  0.0010545600000000,  0.0005465800000000 ]  - [   0.0010206700000000,  0.0013965300000000, -0.0011595000000000 ]  - [   0.0010837400000000, -0.0013744800000000,  0.0008366300000000 ]  - [   0.0021714700000000, -0.0021299500000000,  0.0029776900000000 ]  - [   0.0010206700000000,  0.0013965300000000,  0.0011595000000000 ]  - [  -0.0020671300000000,  0.0010545600000000, -0.0005465800000000 ]  - [   0.0006655400000000, -0.0016364500000000,  0.0011660600000000 ]  - [   0.0027781500000000,  0.0000459800000000, -0.0003775300000000 ]  - [  -0.0016123400000000, -0.0000898900000000,  0.0010682300000000 ]  - [  -0.0006608700000000, -0.0026778300000000,  0.0010078800000000 ]  - [  -0.0016424900000000,  0.0040917300000000, -0.0011823600000000 ]  - [   0.0004222900000000,  0.0019105100000000, -0.0009313000000000 ]  - [  -0.0028806100000000, -0.0013614400000000, -0.0011227000000000 ]  - [  -0.0018301700000000, -0.0004546900000000, -0.0008866800000000 ]  - [  -0.0018301700000000, -0.0004546900000000,  0.0008866800000000 ]  - [  -0.0028806100000000, -0.0013614400000000,  0.0011227000000000 ]  - [   0.0004222900000000,  0.0019105100000000,  0.0009313000000000 ]  - [  -0.0016424900000000,  0.0040917300000000,  0.0011823600000000 ]  - [   0.0021714700000000, -0.0021299500000000, -0.0029776900000000 ]  - [   0.0010837400000000, -0.0013744800000000, -0.0008366300000000 ]  - [  -0.0001919300000000, -0.0004313100000000, -0.0016123000000000 ]  - [   0.0005559100000000, -0.0004426300000000, -0.0018992000000000 ]  - [   0.0000389100000000, -0.0005020600000000,  0.0013376000000000 ]  - [   0.0000389100000000, -0.0005020600000000, -0.0013376000000000 ]  - [  -0.0005575000000000, -0.0000366600000000, -0.0009186600000000 ]  - [  -0.0005575000000000, -0.0000366600000000,  0.0009186600000000 ]  - [   0.0350311400000000,  0.0595691400000000, -0.0018432300000000 ]  - [   0.0350311400000000,  0.0595691400000000,  0.0018432300000000 ]  - [  -0.0687949900000000,  0.0006062400000000,  0.0010873600000000 ]  - [  -0.0687949900000000,  0.0006062400000000, -0.0010873600000000 ]  - [   0.0341376700000000, -0.0596035000000000,  0.0003378300000000 ]  - [   0.0341376700000000, -0.0596035000000000, -0.0003378300000000 ]  - [   0.0005559100000000, -0.0004426300000000,  0.0018992000000000 ]  - [  -0.0001919300000000, -0.0004313100000000,  0.0016123000000000 ]  - [   0.0004863700000000,  0.0003109700000000, -0.0017295300000000 ]  - [   0.0009990200000000,  0.0032268000000000, -0.0012902000000000 ]  - [   0.0002969700000000,  0.0007166000000000, -0.0016863700000000 ]  - [   0.0024284200000000,  0.0019554600000000, -0.0015464000000000 ]  - [   0.0024284200000000,  0.0019554600000000,  0.0015464000000000 ]  - [   0.0002969700000000,  0.0007166000000000,  0.0016863700000000 ]  - [   0.0009990200000000,  0.0032268000000000,  0.0012902000000000 ]  - [   0.0004863700000000,  0.0003109700000000,  0.0017295300000000 ]  - [   0.0043606400000000,  0.0020660700000000,  0.0041587500000000 ]  - [   0.0001743800000000, -0.0000335500000000,  0.0004840600000000 ]  - [   0.0001743800000000, -0.0000335500000000, -0.0004840600000000 ]  - [   0.0043606400000000,  0.0020660700000000, -0.0041587500000000 ]  - [  -0.0000310400000000,  0.0001778000000000, -0.0018380300000000 ]  - [  -0.0010284900000000,  0.0056486000000000,  0.0035848100000000 ]  - [  -0.0010284900000000,  0.0056486000000000, -0.0035848100000000 ]  - [  -0.0000310400000000,  0.0001778000000000,  0.0018380300000000 ]  - [   0.0079613400000000, -0.0131450800000000,  0.0000000000000000 ]  - [   0.0004182500000000, -0.0000582800000000,  0.0000000000000000 ]  - [   0.0000563700000000,  0.0011361600000000,  0.0000000000000000 ]  - [  -0.0001910500000000,  0.0003416200000000,  0.0000000000000000 ]  - [  -0.0005493700000000, -0.0001940200000000, -0.0000145000000000 ]  - [  -0.0005493700000000, -0.0001940200000000,  0.0000145000000000 ]  - [   0.0011559100000000, -0.0006824700000000, -0.0000021300000000 ]  - [   0.0011559100000000, -0.0006824700000000,  0.0000021300000000 ]  - [  -0.0010124800000000,  0.0013109100000000,  0.0000000000000000 ]  - [  -0.0002006900000000, -0.0002601100000000,  0.0000000000000000 ]  - [  -0.0003181000000000,  0.0008399800000000, -0.0000738300000000 ]  - [  -0.0003181000000000,  0.0008399800000000,  0.0000738300000000 ]  - [  -0.0448154300000000, -0.0600908000000000,  0.0168156200000000 ]  - [  -0.0367047200000000, -0.0628449300000000,  0.0086617200000000 ]  - [  -0.0361343100000000,  0.0626309600000000, -0.0099374100000000 ]  - [  -0.0329700700000000,  0.0597110000000000, -0.0085808100000000 ]  - [  -0.0329700700000000,  0.0597110000000000,  0.0085808100000000 ]  - [  -0.0361343100000000,  0.0626309600000000,  0.0099374100000000 ]  - [   0.0673805400000000, -0.0057642500000000,  0.0061181800000000 ]  - [   0.0721673300000000, -0.0004628500000000,  0.0103936800000000 ]  - [  -0.0367047200000000, -0.0628449300000000, -0.0086617200000000 ]  - [  -0.0448154300000000, -0.0600908000000000, -0.0168156200000000 ]  - [   0.0721673300000000, -0.0004628500000000, -0.0103936800000000 ]  - [   0.0673805400000000, -0.0057642500000000, -0.0061181800000000 ]- atom:   61  displacement:    [   0.0050000000038040, -0.0086602540356482,  0.0000000000000000 ]  forces:  - [   0.0381242900000000, -0.0650301800000000,  0.0000000000000000 ]  - [   0.0372673200000000, -0.0644123800000000,  0.0000000000000000 ]  - [  -0.0761884500000000, -0.0012014600000000,  0.0000000000000000 ]  - [  -0.0744077800000000, -0.0001393500000000,  0.0000000000000000 ]  - [   0.0342598000000000,  0.0658962100000000,  0.0000000000000000 ]  - [   0.0370995900000000,  0.0644986200000000,  0.0000000000000000 ]  - [  -0.0014999200000000, -0.0034882700000000, -0.0022962000000000 ]  - [   0.0005572400000000, -0.0017348600000000, -0.0008113900000000 ]  - [  -0.0028679100000000,  0.0033077600000000, -0.0009768400000000 ]  - [  -0.0019182300000000,  0.0007165800000000, -0.0009092600000000 ]  - [   0.0043842600000000,  0.0016497500000000, -0.0025058900000000 ]  - [   0.0012800800000000,  0.0013484900000000, -0.0008207000000000 ]  - [   0.0012234200000000, -0.0013687400000000,  0.0011413200000000 ]  - [   0.0001126800000000, -0.0005558700000000, -0.0010296900000000 ]  - [   0.0012800800000000,  0.0013484900000000,  0.0008207000000000 ]  - [   0.0043842600000000,  0.0016497500000000,  0.0025058900000000 ]  - [   0.0005572400000000, -0.0017348600000000,  0.0008113900000000 ]  - [  -0.0014999200000000, -0.0034882700000000,  0.0022962000000000 ]  - [  -0.0019182300000000,  0.0007165800000000,  0.0009092600000000 ]  - [  -0.0028679100000000,  0.0033077600000000,  0.0009768400000000 ]  - [   0.0028761700000000, -0.0007237100000000, -0.0007890600000000 ]  - [   0.0008052800000000,  0.0014558700000000, -0.0010487000000000 ]  - [  -0.0006562000000000,  0.0007311100000000, -0.0008570300000000 ]  - [  -0.0017007600000000, -0.0001734900000000, -0.0010907500000000 ]  - [  -0.0017007600000000, -0.0001734900000000,  0.0010907500000000 ]  - [  -0.0006562000000000,  0.0007311100000000,  0.0008570300000000 ]  - [   0.0008052800000000,  0.0014558700000000,  0.0010487000000000 ]  - [   0.0028761700000000, -0.0007237100000000,  0.0007890600000000 ]  - [   0.0001126800000000, -0.0005558700000000,  0.0010296900000000 ]  - [   0.0012234200000000, -0.0013687400000000, -0.0011413200000000 ]  - [  -0.0002926000000000, -0.0004111900000000, -0.0017258300000000 ]  - [  -0.0010437200000000, -0.0003982600000000, -0.0014387100000000 ]  - [  -0.0000383200000000,  0.0005025400000000, -0.0013408000000000 ]  - [  -0.0000383200000000,  0.0005025400000000,  0.0013408000000000 ]  - [   0.0005544600000000,  0.0000371500000000,  0.0009194800000000 ]  - [   0.0005544600000000,  0.0000371500000000, -0.0009194800000000 ]  - [   0.0339988700000000,  0.0599942100000000,  0.0018292800000000 ]  - [   0.0339988700000000,  0.0599942100000000, -0.0018292800000000 ]  - [  -0.0692634700000000, -0.0006090000000000, -0.0010885300000000 ]  - [  -0.0692634700000000, -0.0006090000000000,  0.0010885300000000 ]  - [   0.0348929700000000, -0.0599606400000000, -0.0003352500000000 ]  - [   0.0348929700000000, -0.0599606400000000,  0.0003352500000000 ]  - [  -0.0010437200000000, -0.0003982600000000,  0.0014387100000000 ]  - [  -0.0002926000000000, -0.0004111900000000,  0.0017258300000000 ]  - [   0.0004852500000000, -0.0003115200000000, -0.0016091900000000 ]  - [  -0.0000536400000000, -0.0031981700000000, -0.0020592400000000 ]  - [  -0.0007823900000000,  0.0001260900000000, -0.0016528700000000 ]  - [  -0.0029002800000000, -0.0011124100000000, -0.0017885900000000 ]  - [  -0.0029002800000000, -0.0011124100000000,  0.0017885900000000 ]  - [  -0.0007823900000000,  0.0001260900000000,  0.0016528700000000 ]  - [  -0.0000536400000000, -0.0031981700000000,  0.0020592400000000 ]  - [   0.0004852500000000, -0.0003115200000000,  0.0016091900000000 ]  - [  -0.0043308700000000, -0.0020679500000000, -0.0020948200000000 ]  - [  -0.0001769500000000,  0.0000398500000000,  0.0015655000000000 ]  - [  -0.0001769500000000,  0.0000398500000000, -0.0015655000000000 ]  - [  -0.0043308700000000, -0.0020679500000000,  0.0020948200000000 ]  - [   0.0000377500000000, -0.0001769300000000, -0.0002098600000000 ]  - [   0.0010351300000000, -0.0056755800000000, -0.0056922800000000 ]  - [   0.0010351300000000, -0.0056755800000000,  0.0056922800000000 ]  - [   0.0000377500000000, -0.0001769300000000,  0.0002098600000000 ]  - [  -0.0072399700000000,  0.0131768600000000,  0.0000000000000000 ]  - [   0.0003322500000000,  0.0000581500000000,  0.0000000000000000 ]  - [  -0.0004384800000000, -0.0004911900000000,  0.0000000000000000 ]  - [  -0.0001844900000000,  0.0003083000000000,  0.0000000000000000 ]  - [  -0.0001863700000000, -0.0010808100000000,  0.0000152200000000 ]  - [  -0.0001863700000000, -0.0010808100000000, -0.0000152200000000 ]  - [   0.0003165100000000,  0.0006819900000000, -0.0000078700000000 ]  - [   0.0003165100000000,  0.0006819900000000,  0.0000078700000000 ]  - [   0.0006443800000000, -0.0019570100000000,  0.0000000000000000 ]  - [  -0.0001749400000000, -0.0003902000000000,  0.0000000000000000 ]  - [  -0.0004198700000000,  0.0004344300000000,  0.0000736900000000 ]  - [  -0.0004198700000000,  0.0004344300000000, -0.0000736900000000 ]  - [  -0.0277030500000000, -0.0654275900000000,  0.0027434500000000 ]  - [  -0.0357585200000000, -0.0626671300000000,  0.0108141000000000 ]  - [  -0.0363308800000000,  0.0628804300000000, -0.0095446500000000 ]  - [  -0.0394832800000000,  0.0658228000000000, -0.0108763200000000 ]  - [  -0.0394832800000000,  0.0658228000000000,  0.0108763200000000 ]  - [  -0.0363308800000000,  0.0628804300000000,  0.0095446500000000 ]  - [   0.0775407100000000,  0.0057927600000000,  0.0133682500000000 ]  - [   0.0727596900000000,  0.0004621400000000,  0.0090863200000000 ]  - [  -0.0357585200000000, -0.0626671300000000, -0.0108141000000000 ]  - [  -0.0277030500000000, -0.0654275900000000, -0.0027434500000000 ]  - [   0.0727596900000000,  0.0004621400000000, -0.0090863200000000 ]  - [   0.0775407100000000,  0.0057927600000000, -0.0133682500000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0371928200000000, -0.0644281500000000,  0.0071313700000000 ]  - [   0.0371964100000000, -0.0644251600000000, -0.0028679900000000 ]  - [  -0.0743881700000000,  0.0000000000000000,  0.0067863000000000 ]  - [  -0.0743923200000000,  0.0000000000000000, -0.0028996400000000 ]  - [   0.0371928200000000,  0.0644281500000000,  0.0071313700000000 ]  - [   0.0371964100000000,  0.0644251600000000, -0.0028679900000000 ]  - [  -0.0015123000000000, -0.0019810700000000, -0.0003940000000000 ]  - [   0.0008461900000000, -0.0015380400000000, -0.0015946400000000 ]  - [  -0.0018615000000000,  0.0013270700000000, -0.0005612800000000 ]  - [  -0.0016990000000000,  0.0000609600000000, -0.0015702200000000 ]  - [   0.0030437800000000,  0.0028608400000000, -0.0009373800000000 ]  - [   0.0008794400000000,  0.0013855800000000, -0.0015826700000000 ]  - [   0.0014409500000000, -0.0013577300000000,  0.0003967000000000 ]  - [  -0.0007292700000000,  0.0001356500000000,  0.0010095400000000 ]  - [   0.0014409500000000,  0.0013577300000000,  0.0003967000000000 ]  - [  -0.0007292700000000, -0.0001356500000000,  0.0010095400000000 ]  - [   0.0003684900000000, -0.0018416300000000,  0.0003849000000000 ]  - [   0.0027642300000000, -0.0014286900000000,  0.0015350700000000 ]  - [  -0.0018375500000000,  0.0005809600000000,  0.0004083200000000 ]  - [  -0.0016762900000000, -0.0006827300000000,  0.0014152400000000 ]  - [  -0.0015123000000000,  0.0019810700000000, -0.0003940000000000 ]  - [   0.0008461900000000,  0.0015380400000000, -0.0015946400000000 ]  - [  -0.0018615000000000, -0.0013270700000000, -0.0005612800000000 ]  - [  -0.0016990000000000, -0.0000609600000000, -0.0015702200000000 ]  - [  -0.0018375500000000, -0.0005809600000000,  0.0004083200000000 ]  - [  -0.0016762900000000,  0.0006827300000000,  0.0014152400000000 ]  - [   0.0003684900000000,  0.0018416300000000,  0.0003849000000000 ]  - [   0.0027642300000000,  0.0014286900000000,  0.0015350700000000 ]  - [   0.0030437800000000, -0.0028608400000000, -0.0009373800000000 ]  - [   0.0008794400000000, -0.0013855800000000, -0.0015826700000000 ]  - [  -0.0002903100000000, -0.0004703900000000, -0.0021486500000000 ]  - [  -0.0002446600000000, -0.0005986700000000, -0.0013100000000000 ]  - [  -0.0001081400000000,  0.0003893600000000, -0.0015399800000000 ]  - [   0.0001070800000000, -0.0003857000000000, -0.0015420000000000 ]  - [  -0.0001081400000000, -0.0003893600000000, -0.0015399800000000 ]  - [   0.0001070800000000,  0.0003857000000000, -0.0015420000000000 ]  - [   0.0349401500000000,  0.0598562700000000, -0.0015771300000000 ]  - [   0.0340920700000000,  0.0597064400000000, -0.0015823400000000 ]  - [  -0.0697705400000000,  0.0000000000000000, -0.0016504300000000 ]  - [  -0.0682940600000000,  0.0000000000000000, -0.0016574100000000 ]  - [   0.0349401500000000, -0.0598562700000000, -0.0015771300000000 ]  - [   0.0340920700000000, -0.0597064400000000, -0.0015823400000000 ]  - [  -0.0002381800000000, -0.0002450300000000,  0.0020283300000000 ]  - [  -0.0001956000000000, -0.0003728100000000,  0.0011873300000000 ]  - [   0.0007598500000000,  0.0000000000000000, -0.0022686300000000 ]  - [  -0.0015318900000000,  0.0000000000000000, -0.0008126400000000 ]  - [  -0.0002903100000000,  0.0004703900000000, -0.0021486500000000 ]  - [  -0.0002446600000000,  0.0005986700000000, -0.0013100000000000 ]  - [  -0.0002381800000000,  0.0002450300000000,  0.0020283300000000 ]  - [  -0.0001956000000000,  0.0003728100000000,  0.0011873300000000 ]  - [   0.0024506900000000,  0.0000000000000000,  0.0025867700000000 ]  - [   0.0002169700000000,  0.0000000000000000,  0.0010697200000000 ]  - [   0.0014152700000000,  0.0045260700000000,  0.0035988300000000 ]  - [  -0.0000337800000000, -0.0001119800000000,  0.0025838300000000 ]  - [   0.0000364800000000,  0.0001171300000000,  0.0005472800000000 ]  - [  -0.0013990100000000, -0.0044885300000000,  0.0015607200000000 ]  - [   0.0000364800000000, -0.0001171300000000,  0.0005472800000000 ]  - [  -0.0013990100000000,  0.0044885300000000,  0.0015607200000000 ]  - [   0.0014152700000000, -0.0045260700000000,  0.0035988300000000 ]  - [  -0.0000337800000000,  0.0001119800000000,  0.0025838300000000 ]  - [   0.0003667100000000,  0.0000000000000000, -0.0230730700000000 ]  - [   0.0003753800000000,  0.0000000000000000,  0.0005398300000000 ]  - [  -0.0001880600000000,  0.0003254500000000, -0.0013944700000000 ]  - [  -0.0001877800000000,  0.0003251700000000,  0.0004632100000000 ]  - [  -0.0002713100000000, -0.0005754100000000,  0.0004074500000000 ]  - [  -0.0004652900000000, -0.0006995700000000,  0.0004083900000000 ]  - [   0.0005552200000000,  0.0000000000000000,  0.0030580300000000 ]  - [   0.0009153900000000,  0.0000000000000000,  0.0030220000000000 ]  - [  -0.0001880600000000, -0.0003254500000000, -0.0013944700000000 ]  - [  -0.0001877800000000, -0.0003251700000000,  0.0004632100000000 ]  - [  -0.0002713100000000,  0.0005754100000000,  0.0004074500000000 ]  - [  -0.0004652900000000,  0.0006995700000000,  0.0004083900000000 ]  - [  -0.0421245700000000, -0.0595135200000000,  0.0073781700000000 ]  - [  -0.0358735900000000, -0.0624767800000000,  0.0130299600000000 ]  - [  -0.0365960900000000,  0.0630375100000000, -0.0064461000000000 ]  - [  -0.0303668500000000,  0.0659890700000000, -0.0120779900000000 ]  - [  -0.0421245700000000,  0.0595135200000000,  0.0073781700000000 ]  - [  -0.0358735900000000,  0.0624767800000000,  0.0130299600000000 ]  - [   0.0795863200000000,  0.0000000000000000,  0.0076492400000000 ]  - [   0.0718318600000000,  0.0000000000000000,  0.0131183900000000 ]  - [  -0.0365960900000000, -0.0630375100000000, -0.0064461000000000 ]  - [  -0.0303668500000000, -0.0659890700000000, -0.0120779900000000 ]  - [   0.0731036000000000,  0.0000000000000000, -0.0063576500000000 ]  - [   0.0653665200000000,  0.0000000000000000, -0.0118063900000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0368164400000000, -0.0647724700000000,  0.0017155900000000 ]  - [   0.0368164400000000, -0.0647724700000000, -0.0017155900000000 ]  - [  -0.0740937600000000,  0.0001440300000000, -0.0000633100000000 ]  - [  -0.0740937600000000,  0.0001440300000000,  0.0000633100000000 ]  - [   0.0375031500000000,  0.0639672800000000, -0.0011309000000000 ]  - [   0.0375031500000000,  0.0639672800000000,  0.0011309000000000 ]  - [   0.0015313600000000,  0.0016139600000000, -0.0031533900000000 ]  - [   0.0006271300000000, -0.0016454000000000, -0.0008872100000000 ]  - [  -0.0027067800000000, -0.0028395900000000, -0.0034238400000000 ]  - [  -0.0018007300000000,  0.0003370400000000, -0.0008570900000000 ]  - [  -0.0022592800000000,  0.0019370600000000, -0.0015362900000000 ]  - [   0.0008516600000000,  0.0014259300000000, -0.0010136700000000 ]  - [   0.0040254200000000, -0.0007141800000000,  0.0004421900000000 ]  - [   0.0013647200000000, -0.0013175400000000,  0.0009619000000000 ]  - [  -0.0022592800000000,  0.0019370600000000,  0.0015362900000000 ]  - [   0.0008516600000000,  0.0014259300000000,  0.0010136700000000 ]  - [   0.0015313600000000,  0.0016139600000000,  0.0031533900000000 ]  - [   0.0006271300000000, -0.0016454000000000,  0.0008872100000000 ]  - [  -0.0027067800000000, -0.0028395900000000,  0.0034238400000000 ]  - [  -0.0018007300000000,  0.0003370400000000,  0.0008570900000000 ]  - [   0.0001291500000000,  0.0031130600000000, -0.0004551100000000 ]  - [   0.0006228600000000,  0.0017347300000000, -0.0010210600000000 ]  - [  -0.0036801700000000, -0.0004683200000000,  0.0013708200000000 ]  - [  -0.0017171400000000, -0.0002148500000000, -0.0011234300000000 ]  - [  -0.0036801700000000, -0.0004683200000000, -0.0013708200000000 ]  - [  -0.0017171400000000, -0.0002148500000000,  0.0011234300000000 ]  - [   0.0001291500000000,  0.0031130600000000,  0.0004551100000000 ]  - [   0.0006228600000000,  0.0017347300000000,  0.0010210600000000 ]  - [   0.0040254200000000, -0.0007141800000000, -0.0004421900000000 ]  - [   0.0013647200000000, -0.0013175400000000, -0.0009619000000000 ]  - [   0.0033421100000000, -0.0003167200000000, -0.0000173500000000 ]  - [  -0.0000147300000000, -0.0005403900000000, -0.0015994700000000 ]  - [   0.0028515200000000, -0.0002084400000000,  0.0000000000000000 ]  - [  -0.0000806200000000,  0.0000304200000000,  0.0000000000000000 ]  - [   0.0025295100000000, -0.0010401500000000,  0.0000000000000000 ]  - [   0.0000626500000000,  0.0000540000000000,  0.0000000000000000 ]  - [   0.0349343300000000,  0.0577017900000000,  0.0000000000000000 ]  - [   0.0346136100000000,  0.0597447600000000,  0.0000000000000000 ]  - [  -0.0678938600000000,  0.0009811000000000,  0.0000000000000000 ]  - [  -0.0690122500000000,  0.0000367500000000,  0.0000000000000000 ]  - [   0.0312698800000000, -0.0620280400000000,  0.0000000000000000 ]  - [   0.0344045000000000, -0.0597851500000000,  0.0000000000000000 ]  - [   0.0033421100000000, -0.0003167200000000,  0.0000173500000000 ]  - [  -0.0000147300000000, -0.0005403900000000,  0.0015994700000000 ]  - [   0.0004076000000000, -0.0030212700000000, -0.0017646200000000 ]  - [   0.0004711400000000, -0.0006072400000000, -0.0016600100000000 ]  - [  -0.0008378900000000, -0.0003521700000000, -0.0015582700000000 ]  - [  -0.0003120000000000,  0.0003729800000000, -0.0017207400000000 ]  - [  -0.0008378900000000, -0.0003521700000000,  0.0015582700000000 ]  - [  -0.0003120000000000,  0.0003729800000000,  0.0017207400000000 ]  - [   0.0004076000000000, -0.0030212700000000,  0.0017646200000000 ]  - [   0.0004711400000000, -0.0006072400000000,  0.0016600100000000 ]  - [   0.0012065500000000, -0.0072873800000000, -0.0048479500000000 ]  - [  -0.0001689900000000, -0.0001725900000000,  0.0010858600000000 ]  - [   0.0012065500000000, -0.0072873800000000,  0.0048479500000000 ]  - [  -0.0001689900000000, -0.0001725900000000, -0.0010858600000000 ]  - [   0.0103589400000000, -0.0026414700000000, -0.0105755600000000 ]  - [   0.0002262700000000, -0.0000929700000000, -0.0009065100000000 ]  - [   0.0103589400000000, -0.0026414700000000,  0.0105755600000000 ]  - [   0.0002262700000000, -0.0000929700000000,  0.0009065100000000 ]  - [   0.0005065900000000, -0.0001334700000000,  0.0000970400000000 ]  - [   0.0005065900000000, -0.0001334700000000, -0.0000970400000000 ]  - [   0.0002864600000000,  0.0002829600000000,  0.0000046200000000 ]  - [   0.0002864600000000,  0.0002829600000000, -0.0000046200000000 ]  - [  -0.0315303400000000,  0.0042850100000000,  0.0000000000000000 ]  - [  -0.0004299100000000, -0.0006621100000000,  0.0000000000000000 ]  - [   0.0012148700000000, -0.0006849700000000,  0.0000000000000000 ]  - [   0.0007489700000000,  0.0000088800000000,  0.0000000000000000 ]  - [  -0.0009882100000000, -0.0003480600000000,  0.0000951700000000 ]  - [  -0.0009882100000000, -0.0003480600000000, -0.0000951700000000 ]  - [   0.0012549700000000,  0.0006605200000000,  0.0000000000000000 ]  - [  -0.0003144900000000,  0.0006045100000000,  0.0000000000000000 ]  - [  -0.0378150500000000, -0.0560287200000000,  0.0129546100000000 ]  - [  -0.0364519900000000, -0.0623939600000000,  0.0090513600000000 ]  - [  -0.0291650100000000,  0.0689820600000000, -0.0023878800000000 ]  - [  -0.0360236900000000,  0.0630546900000000, -0.0107476000000000 ]  - [  -0.0291650100000000,  0.0689820600000000,  0.0023878800000000 ]  - [  -0.0360236900000000,  0.0630546900000000,  0.0107476000000000 ]  - [   0.0681056700000000, -0.0009461700000000,  0.0104451300000000 ]  - [   0.0723405200000000,  0.0000397100000000,  0.0096562600000000 ]  - [  -0.0378150500000000, -0.0560287200000000, -0.0129546100000000 ]  - [  -0.0364519900000000, -0.0623939600000000, -0.0090513600000000 ]  - [   0.0681056700000000, -0.0009461700000000, -0.0104451300000000 ]  - [   0.0723405200000000,  0.0000397100000000, -0.0096562600000000 ]- atom:   65  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0375788300000000, -0.0640808200000000, -0.0017161900000000 ]  - [   0.0375788300000000, -0.0640808200000000,  0.0017161900000000 ]  - [  -0.0746934000000000, -0.0001437500000000,  0.0000626000000000 ]  - [  -0.0746934000000000, -0.0001437500000000, -0.0000626000000000 ]  - [   0.0368870700000000,  0.0648859600000000,  0.0011317100000000 ]  - [   0.0368870700000000,  0.0648859600000000, -0.0011317100000000 ]  - [  -0.0003415500000000, -0.0050106900000000,  0.0011854400000000 ]  - [   0.0005866400000000, -0.0017345000000000, -0.0010908800000000 ]  - [  -0.0008459600000000,  0.0034959900000000,  0.0014598900000000 ]  - [  -0.0017333900000000,  0.0002989400000000, -0.0011219500000000 ]  - [   0.0045803400000000,  0.0008011100000000, -0.0004380900000000 ]  - [   0.0014591900000000,  0.0013171400000000, -0.0009681300000000 ]  - [  -0.0017111300000000, -0.0020387000000000,  0.0015425400000000 ]  - [   0.0009522800000000, -0.0014241200000000,  0.0010166100000000 ]  - [   0.0045803400000000,  0.0008011100000000,  0.0004380900000000 ]  - [   0.0014591900000000,  0.0013171400000000,  0.0009681300000000 ]  - [  -0.0003415500000000, -0.0050106900000000, -0.0011854400000000 ]  - [   0.0005866400000000, -0.0017345000000000,  0.0010908800000000 ]  - [  -0.0008459600000000,  0.0034959900000000, -0.0014598900000000 ]  - [  -0.0017333900000000,  0.0002989400000000,  0.0011219500000000 ]  - [   0.0010918800000000,  0.0002634400000000, -0.0015288500000000 ]  - [   0.0005967900000000,  0.0016401600000000, -0.0009590300000000 ]  - [   0.0001617800000000, -0.0001665800000000, -0.0033418700000000 ]  - [  -0.0018159100000000, -0.0004209000000000, -0.0008561500000000 ]  - [   0.0001617800000000, -0.0001665800000000,  0.0033418700000000 ]  - [  -0.0018159100000000, -0.0004209000000000,  0.0008561500000000 ]  - [   0.0010918800000000,  0.0002634400000000,  0.0015288500000000 ]  - [   0.0005967900000000,  0.0016401600000000,  0.0009590300000000 ]  - [  -0.0017111300000000, -0.0020387000000000, -0.0015425400000000 ]  - [   0.0009522800000000, -0.0014241200000000, -0.0010166100000000 ]  - [  -0.0038057800000000, -0.0004914100000000, -0.0032787500000000 ]  - [  -0.0004686900000000, -0.0003075000000000, -0.0017381700000000 ]  - [  -0.0032170200000000,  0.0002713500000000,  0.0000000000000000 ]  - [   0.0000807700000000, -0.0000300300000000,  0.0000000000000000 ]  - [  -0.0024273900000000,  0.0009138400000000,  0.0000000000000000 ]  - [  -0.0000612800000000, -0.0000553800000000,  0.0000000000000000 ]  - [   0.0340701400000000,  0.0618401000000000,  0.0000000000000000 ]  - [   0.0344147300000000,  0.0598175800000000,  0.0000000000000000 ]  - [  -0.0701713300000000, -0.0009675000000000,  0.0000000000000000 ]  - [  -0.0690485500000000, -0.0000369400000000,  0.0000000000000000 ]  - [   0.0377760600000000, -0.0575427600000000,  0.0000000000000000 ]  - [   0.0346253200000000, -0.0597778400000000,  0.0000000000000000 ]  - [  -0.0038057800000000, -0.0004914100000000,  0.0032787500000000 ]  - [  -0.0004686900000000, -0.0003075000000000,  0.0017381700000000 ]  - [   0.0005679600000000,  0.0030185300000000, -0.0015773500000000 ]  - [   0.0005035900000000,  0.0006055300000000, -0.0016769800000000 ]  - [   0.0003521300000000,  0.0012010600000000, -0.0017799800000000 ]  - [  -0.0001734200000000,  0.0004735000000000, -0.0016179900000000 ]  - [   0.0003521300000000,  0.0012010600000000,  0.0017799800000000 ]  - [  -0.0001734200000000,  0.0004735000000000,  0.0016179900000000 ]  - [   0.0005679600000000,  0.0030185300000000,  0.0015773500000000 ]  - [   0.0005035900000000,  0.0006055300000000,  0.0016769800000000 ]  - [  -0.0012287400000000,  0.0072465600000000,  0.0068844700000000 ]  - [   0.0001661500000000,  0.0001780100000000,  0.0009653200000000 ]  - [  -0.0012287400000000,  0.0072465600000000, -0.0068844700000000 ]  - [   0.0001661500000000,  0.0001780100000000, -0.0009653200000000 ]  - [  -0.0104815800000000,  0.0026822700000000,  0.0086481900000000 ]  - [  -0.0002178900000000,  0.0000936100000000, -0.0011454000000000 ]  - [  -0.0104815800000000,  0.0026822700000000, -0.0086481900000000 ]  - [  -0.0002178900000000,  0.0000936100000000,  0.0011454000000000 ]  - [   0.0002444800000000,  0.0001349200000000, -0.0000969400000000 ]  - [   0.0002444800000000,  0.0001349200000000,  0.0000969400000000 ]  - [  -0.0006626100000000,  0.0003662700000000, -0.0000058400000000 ]  - [  -0.0006626100000000,  0.0003662700000000,  0.0000058400000000 ]  - [   0.0312388300000000, -0.0055581000000000,  0.0000000000000000 ]  - [  -0.0003064300000000, -0.0006130700000000,  0.0000000000000000 ]  - [   0.0002559500000000,  0.0006916500000000,  0.0000000000000000 ]  - [   0.0007229100000000, -0.0000092900000000,  0.0000000000000000 ]  - [   0.0006135000000000, -0.0003026100000000, -0.0000848500000000 ]  - [   0.0006135000000000, -0.0003026100000000,  0.0000848500000000 ]  - [  -0.0019936600000000,  0.0006059300000000,  0.0000000000000000 ]  - [  -0.0004218900000000,  0.0006695900000000,  0.0000000000000000 ]  - [  -0.0346257200000000, -0.0695014500000000,  0.0065205500000000 ]  - [  -0.0360126200000000, -0.0631188200000000,  0.0104291600000000 ]  - [  -0.0432803500000000,  0.0565864100000000, -0.0170105600000000 ]  - [  -0.0364443400000000,  0.0624593600000000, -0.0087338500000000 ]  - [  -0.0432803500000000,  0.0565864100000000,  0.0170105600000000 ]  - [  -0.0364443400000000,  0.0624593600000000,  0.0087338500000000 ]  - [   0.0768425100000000,  0.0009232400000000,  0.0090626400000000 ]  - [   0.0725893800000000, -0.0000397300000000,  0.0098213200000000 ]  - [  -0.0346257200000000, -0.0695014500000000, -0.0065205500000000 ]  - [  -0.0360126200000000, -0.0631188200000000, -0.0104291600000000 ]  - [   0.0768425100000000,  0.0009232400000000, -0.0090626400000000 ]  - [   0.0725893800000000, -0.0000397300000000, -0.0098213200000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0374715000000000, -0.0641549800000000, -0.0016369500000000 ]  - [   0.0369198800000000, -0.0646998200000000, -0.0016295300000000 ]  - [  -0.0742956000000000,  0.0003737800000000, -0.0016369500000000 ]  - [  -0.0744916300000000, -0.0003763500000000, -0.0016295300000000 ]  - [   0.0370118200000000,  0.0641063600000000, -0.0014051000000000 ]  - [   0.0373819500000000,  0.0647474300000000, -0.0013906700000000 ]  - [  -0.0007527200000000,  0.0006574700000000, -0.0011553700000000 ]  - [   0.0006594400000000, -0.0017766900000000, -0.0015579500000000 ]  - [  -0.0036840400000000, -0.0017309700000000, -0.0009038000000000 ]  - [  -0.0016628500000000,  0.0004001200000000, -0.0015671700000000 ]  - [   0.0008036500000000,  0.0015600800000000, -0.0002426000000000 ]  - [   0.0011215900000000,  0.0013748500000000, -0.0014574300000000 ]  - [   0.0019664000000000,  0.0013057800000000,  0.0010984800000000 ]  - [   0.0011308700000000, -0.0015015400000000,  0.0004109900000000 ]  - [   0.0014972700000000,  0.0011858000000000,  0.0017414100000000 ]  - [   0.0011809000000000,  0.0013701600000000,  0.0005216200000000 ]  - [   0.0019832900000000, -0.0040296200000000,  0.0008402600000000 ]  - [   0.0005620100000000, -0.0015977900000000,  0.0004211200000000 ]  - [   0.0001476400000000,  0.0023558400000000,  0.0010984800000000 ]  - [  -0.0018658100000000,  0.0002286000000000,  0.0004109900000000 ]  - [   0.0009492400000000,  0.0014760200000000, -0.0002426000000000 ]  - [   0.0006298600000000,  0.0016587600000000, -0.0014574300000000 ]  - [   0.0009457400000000, -0.0003231500000000, -0.0011553700000000 ]  - [  -0.0018683700000000, -0.0003172500000000, -0.0015579500000000 ]  - [  -0.0044814000000000, -0.0002972300000000,  0.0008402600000000 ]  - [  -0.0016647300000000, -0.0003121800000000,  0.0004211200000000 ]  - [   0.0002783000000000,  0.0018895800000000,  0.0017414100000000 ]  - [   0.0005961400000000,  0.0017077700000000,  0.0005216200000000 ]  - [   0.0003429500000000, -0.0040559600000000, -0.0009038000000000 ]  - [   0.0011779400000000, -0.0012400100000000, -0.0015671700000000 ]  - [   0.0012105100000000,  0.0020966700000000,  0.0029190200000000 ]  - [  -0.0001983500000000, -0.0003435600000000, -0.0021920800000000 ]  - [   0.0000072700000000,  0.0000000200000000,  0.0046223200000000 ]  - [  -0.0000003300000000,  0.0000002100000000, -0.0011175100000000 ]  - [  -0.0000036200000000,  0.0000063100000000,  0.0046223200000000 ]  - [   0.0000003500000000, -0.0000001800000000, -0.0011175100000000 ]  - [   0.0345111100000000,  0.0597750000000000,  0.0059653100000000 ]  - [   0.0345151800000000,  0.0597820400000000, -0.0023065200000000 ]  - [  -0.0690289700000000,  0.0000022900000000,  0.0063789000000000 ]  - [  -0.0690306800000000, -0.0000002000000000, -0.0023202800000000 ]  - [   0.0345164700000000, -0.0597797000000000,  0.0063789000000000 ]  - [   0.0345151600000000, -0.0597824200000000, -0.0023202800000000 ]  - [  -0.0015940800000000, -0.0027610300000000,  0.0061094100000000 ]  - [  -0.0002877700000000, -0.0004984400000000,  0.0011424900000000 ]  - [   0.0002035700000000, -0.0001608000000000, -0.0011002100000000 ]  - [   0.0005164200000000,  0.0000063100000000, -0.0021139300000000 ]  - [  -0.0002410400000000,  0.0000959000000000, -0.0011002100000000 ]  - [  -0.0002527500000000,  0.0004503800000000, -0.0021139300000000 ]  - [  -0.0002466000000000,  0.0007424500000000,  0.0022350700000000 ]  - [  -0.0002295500000000,  0.0003897200000000,  0.0012222500000000 ]  - [   0.0007662800000000,  0.0001576600000000,  0.0022350700000000 ]  - [   0.0004522800000000, -0.0000039300000000,  0.0012222500000000 ]  - [  -0.0046808300000000,  0.0058604600000000, -0.0007215400000000 ]  - [   0.0000810700000000, -0.0000874500000000,  0.0021547100000000 ]  - [   0.0046963200000000, -0.0058859800000000, -0.0028049600000000 ]  - [  -0.0000827200000000,  0.0000927300000000,  0.0001102400000000 ]  - [  -0.0074455700000000,  0.0011241400000000, -0.0028049600000000 ]  - [   0.0001216700000000, -0.0000252700000000,  0.0001102400000000 ]  - [   0.0074157200000000, -0.0011234800000000, -0.0007215400000000 ]  - [  -0.0001162700000000,  0.0000264900000000,  0.0021547100000000 ]  - [   0.0004641300000000,  0.0000341700000000,  0.0004083300000000 ]  - [   0.0002866900000000, -0.0000339100000000,  0.0004075600000000 ]  - [  -0.0002024700000000,  0.0004190300000000,  0.0004083300000000 ]  - [  -0.0001727100000000,  0.0002313200000000,  0.0004075600000000 ]  - [  -0.0004781800000000, -0.0008282300000000, -0.0243943800000000 ]  - [  -0.0003684400000000, -0.0006381600000000,  0.0004581100000000 ]  - [   0.0007364700000000,  0.0000002000000000, -0.0010925100000000 ]  - [   0.0007364400000000, -0.0000002300000000,  0.0003728100000000 ]  - [  -0.0001854800000000, -0.0003212700000000,  0.0030214900000000 ]  - [  -0.0001911500000000, -0.0003310900000000,  0.0030584600000000 ]  - [  -0.0003680600000000,  0.0006379000000000, -0.0010925100000000 ]  - [  -0.0003684200000000,  0.0006376600000000,  0.0003728100000000 ]  - [  -0.0335946300000000, -0.0581876100000000,  0.0070151700000000 ]  - [  -0.0362611800000000, -0.0628062100000000,  0.0126777000000000 ]  - [  -0.0292119600000000,  0.0656454800000000, -0.0113954600000000 ]  - [  -0.0365152700000000,  0.0628064400000000, -0.0066961200000000 ]  - [  -0.0432170000000000,  0.0598862900000000,  0.0080925700000000 ]  - [  -0.0359482400000000,  0.0627093900000000,  0.0127762100000000 ]  - [   0.0734715500000000, -0.0074838800000000,  0.0080925700000000 ]  - [   0.0722820400000000,  0.0002226100000000,  0.0127762100000000 ]  - [  -0.0388755700000000, -0.0673344700000000, -0.0124895000000000 ]  - [  -0.0362062900000000, -0.0627111300000000, -0.0067919200000000 ]  - [   0.0714566300000000,  0.0075244400000000, -0.0113954600000000 ]  - [   0.0726496100000000, -0.0002199300000000, -0.0066961200000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0381085500000000, -0.0636896200000000,  0.0075603100000000 ]  - [   0.0371480600000000, -0.0645920900000000, -0.0021320900000000 ]  - [  -0.0793123400000000, -0.0041390100000000, -0.0231691100000000 ]  - [  -0.0744854000000000,  0.0004568800000000,  0.0022539500000000 ]  - [   0.0492773300000000,  0.0645433100000000,  0.0018627700000000 ]  - [   0.0370372000000000,  0.0650901700000000, -0.0034853800000000 ]  - [  -0.0088328500000000, -0.0069891200000000, -0.0013620000000000 ]  - [   0.0003099800000000, -0.0020384300000000, -0.0011624500000000 ]  - [   0.0164240500000000, -0.0127305400000000,  0.0015621000000000 ]  - [  -0.0016706100000000,  0.0001124700000000, -0.0013326000000000 ]  - [  -0.0095387000000000,  0.0079672400000000, -0.0007890200000000 ]  - [   0.0007738700000000,  0.0014254200000000, -0.0012159200000000 ]  - [   0.0017507400000000, -0.0011219100000000, -0.0020250800000000 ]  - [   0.0024476100000000, -0.0008911100000000,  0.0043755000000000 ]  - [  -0.0004303500000000,  0.0018913200000000,  0.0015404200000000 ]  - [   0.0000400100000000,  0.0022090100000000,  0.0009572800000000 ]  - [  -0.0006289400000000, -0.0031383400000000,  0.0029317500000000 ]  - [  -0.0017447000000000, -0.0036692400000000, -0.0001362900000000 ]  - [  -0.0004187000000000, -0.0018173100000000,  0.0008372800000000 ]  - [  -0.0008075200000000, -0.0000447000000000,  0.0001577500000000 ]  - [  -0.0398684500000000,  0.0194569200000000, -0.0008044400000000 ]  - [   0.0000554000000000,  0.0023112000000000, -0.0011115800000000 ]  - [  -0.0181234600000000, -0.0145382800000000, -0.0007319200000000 ]  - [  -0.0017846900000000, -0.0001643800000000, -0.0011602100000000 ]  - [  -0.0028786100000000, -0.0021238000000000, -0.0015132100000000 ]  - [  -0.0027846500000000, -0.0000422300000000,  0.0018693600000000 ]  - [  -0.0031136100000000,  0.0054323200000000, -0.0003003200000000 ]  - [  -0.0025611200000000,  0.0036839400000000,  0.0007307600000000 ]  - [   0.0414504800000000,  0.0079134200000000, -0.0098123400000000 ]  - [   0.0008871800000000, -0.0013884000000000, -0.0012530400000000 ]  - [   0.0030292200000000, -0.0027881500000000, -0.0012997300000000 ]  - [   0.0030406900000000, -0.0028741100000000, -0.0021049100000000 ]  - [  -0.0016300200000000,  0.0022548200000000,  0.0061157300000000 ]  - [  -0.0003931200000000, -0.0002623100000000, -0.0009089900000000 ]  - [  -0.0127466700000000, -0.0007139300000000, -0.0180287900000000 ]  - [  -0.0005838100000000,  0.0003473600000000,  0.0004336100000000 ]  - [   0.0504564700000000,  0.0616935600000000, -0.0010212700000000 ]  - [   0.0343768400000000,  0.0603038200000000, -0.0011534100000000 ]  - [  -0.0749256500000000, -0.0032444200000000,  0.0215107000000000 ]  - [  -0.0695474400000000,  0.0001503600000000, -0.0038674500000000 ]  - [   0.0346871300000000, -0.0588002800000000, -0.0053214000000000 ]  - [   0.0344473400000000, -0.0598231700000000,  0.0003289100000000 ]  - [   0.0216111700000000, -0.0201237300000000,  0.0012861800000000 ]  - [   0.0007546300000000, -0.0010090500000000,  0.0014893900000000 ]  - [   0.0015310800000000,  0.0010279000000000, -0.0030310300000000 ]  - [   0.0014065100000000, -0.0016623900000000, -0.0012205400000000 ]  - [   0.0073245700000000,  0.0036155600000000, -0.0009519400000000 ]  - [   0.0048084200000000,  0.0027953300000000, -0.0026923900000000 ]  - [   0.0515835200000000, -0.0162153800000000, -0.0093645000000000 ]  - [   0.0011152700000000,  0.0011801200000000,  0.0014707100000000 ]  - [   0.0245153300000000,  0.0011174500000000,  0.0039902800000000 ]  - [   0.0005440700000000, -0.0002273600000000,  0.0014064000000000 ]  - [   0.0837262300000000,  0.0047931400000000,  0.0165303400000000 ]  - [   0.0005630300000000, -0.0004483600000000,  0.0010036800000000 ]  - [   0.0028465200000000, -0.0010235000000000,  0.0106306500000000 ]  - [   0.0035267100000000, -0.0011976000000000, -0.0029983300000000 ]  - [   0.0007559700000000,  0.0014638500000000, -0.0046696200000000 ]  - [   0.0015577000000000,  0.0004977700000000, -0.0002485900000000 ]  - [   0.0117406300000000, -0.0156130200000000, -0.0048561500000000 ]  - [   0.0003977900000000,  0.0003000100000000,  0.0016472100000000 ]  - [   0.0056846900000000, -0.0068528000000000, -0.0059095300000000 ]  - [   0.0007514400000000, -0.0003309300000000,  0.0003634800000000 ]  - [   0.0063783800000000, -0.0046225500000000,  0.0056960900000000 ]  - [  -0.0000278400000000,  0.0001654300000000,  0.0000653200000000 ]  - [  -0.0019720400000000,  0.0061151600000000,  0.0026512900000000 ]  - [  -0.0005885400000000, -0.0002752300000000, -0.0000262900000000 ]  - [   0.0066512000000000, -0.0068996400000000,  0.0060273000000000 ]  - [   0.0010708400000000, -0.0002257900000000, -0.0000992500000000 ]  - [  -0.0026645600000000,  0.0069788000000000, -0.0035710200000000 ]  - [  -0.0004420500000000,  0.0001626300000000,  0.0003193200000000 ]  - [   0.0066597900000000, -0.0049878900000000, -0.0069529400000000 ]  - [  -0.0001574900000000,  0.0004036100000000,  0.0002833000000000 ]  - [  -0.2903173200000000, -0.0616121000000000,  0.0085145100000000 ]  - [  -0.0362261000000000, -0.0631616200000000,  0.0121878900000000 ]  - [  -0.0377171100000000,  0.0640439000000000, -0.0051876000000000 ]  - [  -0.0374401500000000,  0.0639818500000000, -0.0148343400000000 ]  - [  -0.0567497400000000,  0.0474960000000000,  0.0080602000000000 ]  - [  -0.0365995600000000,  0.0629298900000000,  0.0110519800000000 ]  - [   0.1526443800000000,  0.0733738700000000,  0.0178701100000000 ]  - [   0.0717873300000000, -0.0003542700000000,  0.0109580000000000 ]  - [  -0.0455389000000000, -0.0656488100000000,  0.0037717500000000 ]  - [  -0.0445783000000000, -0.0630298900000000, -0.0105446500000000 ]  - [   0.0691696100000000, -0.0023266700000000, -0.0256960800000000 ]  - [   0.0729762000000000, -0.0002122900000000,  0.0077542000000000 ]- atom:   73  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0362770300000000, -0.0651761800000000, -0.0075760800000000 ]  - [   0.0372432600000000, -0.0642610800000000,  0.0021212500000000 ]  - [  -0.0694273600000000,  0.0042019300000000,  0.0231646800000000 ]  - [  -0.0742951200000000, -0.0004469500000000, -0.0022609000000000 ]  - [   0.0249243100000000,  0.0642386100000000, -0.0008832900000000 ]  - [   0.0372926900000000,  0.0637055900000000,  0.0034650300000000 ]  - [   0.0099748000000000,  0.0035956100000000, -0.0006249500000000 ]  - [   0.0008937200000000, -0.0013564800000000, -0.0008213900000000 ]  - [  -0.0197084700000000,  0.0130890700000000, -0.0035658600000000 ]  - [  -0.0018625800000000,  0.0005247200000000, -0.0006489200000000 ]  - [   0.0118551100000000, -0.0052236700000000, -0.0011933900000000 ]  - [   0.0015430000000000,  0.0013171300000000, -0.0007698900000000 ]  - [   0.0006074700000000, -0.0016072500000000,  0.0039909800000000 ]  - [  -0.0000555000000000, -0.0018317000000000, -0.0024091600000000 ]  - [   0.0027481700000000,  0.0008463000000000,  0.0004392500000000 ]  - [   0.0022766300000000,  0.0005309900000000,  0.0010308500000000 ]  - [   0.0018322100000000, -0.0002523900000000, -0.0009514600000000 ]  - [   0.0029418500000000,  0.0002770200000000,  0.0021208500000000 ]  - [  -0.0031124700000000,  0.0024694100000000,  0.0011496200000000 ]  - [  -0.0027362100000000,  0.0007157800000000,  0.0018045700000000 ]  - [   0.0409916000000000, -0.0159632600000000, -0.0011790800000000 ]  - [   0.0011578600000000,  0.0010713300000000, -0.0008748400000000 ]  - [   0.0145194600000000,  0.0137624600000000, -0.0012401000000000 ]  - [  -0.0017545400000000, -0.0004817200000000, -0.0008237400000000 ]  - [  -0.0006665200000000,  0.0014449000000000,  0.0034705300000000 ]  - [  -0.0007485600000000, -0.0006131900000000,  0.0001203400000000 ]  - [   0.0043119900000000, -0.0020292700000000,  0.0022546000000000 ]  - [   0.0037731200000000, -0.0002983000000000,  0.0012647400000000 ]  - [  -0.0340464300000000, -0.0092647900000000,  0.0073149200000000 ]  - [   0.0014299600000000, -0.0013525700000000, -0.0007295200000000 ]  - [  -0.0035223800000000,  0.0019415500000000, -0.0020442100000000 ]  - [  -0.0035293500000000,  0.0020235000000000, -0.0012255900000000 ]  - [   0.0016153100000000, -0.0022446500000000, -0.0060847200000000 ]  - [   0.0003895600000000,  0.0002630900000000,  0.0009003400000000 ]  - [   0.0126821400000000,  0.0006937000000000,  0.0178695400000000 ]  - [   0.0005914800000000, -0.0003479900000000, -0.0004464400000000 ]  - [   0.0182521400000000,  0.0576162700000000,  0.0000960700000000 ]  - [   0.0346071900000000,  0.0592095600000000,  0.0011818800000000 ]  - [  -0.0630978300000000,  0.0033131700000000, -0.0214777100000000 ]  - [  -0.0685131800000000, -0.0001476300000000,  0.0038398200000000 ]  - [   0.0343480900000000, -0.0607876900000000,  0.0053505200000000 ]  - [   0.0345821900000000, -0.0597428200000000, -0.0003420200000000 ]  - [  -0.0221258700000000,  0.0192985900000000,  0.0020604900000000 ]  - [  -0.0012347400000000,  0.0001617300000000,  0.0018436300000000 ]  - [  -0.0005537200000000, -0.0010541200000000, -0.0002997600000000 ]  - [  -0.0004274800000000,  0.0016231000000000, -0.0021276400000000 ]  - [  -0.0078662900000000, -0.0027993900000000, -0.0023679000000000 ]  - [  -0.0053685600000000, -0.0019908300000000, -0.0006737300000000 ]  - [  -0.0594698300000000,  0.0149688400000000,  0.0133378700000000 ]  - [  -0.0015904400000000, -0.0003298600000000,  0.0018606700000000 ]  - [  -0.0236726300000000, -0.0007695900000000, -0.0006852100000000 ]  - [   0.0004297800000000,  0.0002286000000000,  0.0019273400000000 ]  - [  -0.0829469300000000, -0.0045277000000000, -0.0143729800000000 ]  - [  -0.0005588000000000,  0.0004541900000000,  0.0010452900000000 ]  - [  -0.0028659100000000,  0.0010297800000000, -0.0125286900000000 ]  - [  -0.0035599100000000,  0.0012015200000000,  0.0009460200000000 ]  - [  -0.0007415400000000, -0.0014614700000000,  0.0026309400000000 ]  - [  -0.0015369400000000, -0.0005105100000000, -0.0017887100000000 ]  - [  -0.0116703700000000,  0.0155484600000000,  0.0069031700000000 ]  - [  -0.0003863800000000, -0.0002902700000000,  0.0003980800000000 ]  - [  -0.0049163000000000,  0.0067871000000000,  0.0058476500000000 ]  - [  -0.0000011400000000,  0.0003286500000000, -0.0003592700000000 ]  - [  -0.0067985100000000,  0.0053345000000000, -0.0057914800000000 ]  - [  -0.0003463100000000,  0.0004838800000000, -0.0000592900000000 ]  - [   0.0012172500000000, -0.0073576700000000, -0.0026308100000000 ]  - [  -0.0001491300000000, -0.0010007000000000,  0.0000285600000000 ]  - [  -0.0051533000000000,  0.0068291200000000, -0.0059633300000000 ]  - [   0.0004014200000000,  0.0002252300000000,  0.0001005400000000 ]  - [   0.0022655000000000, -0.0075963100000000,  0.0035387800000000 ]  - [   0.0000648500000000, -0.0008110000000000, -0.0003155000000000 ]  - [  -0.0074553100000000,  0.0063363000000000,  0.0070523100000000 ]  - [  -0.0005779300000000,  0.0008690200000000, -0.0002825700000000 ]  - [   0.2204364800000000, -0.0629840200000000,  0.0106081600000000 ]  - [  -0.0362098500000000, -0.0623146000000000,  0.0072907000000000 ]  - [  -0.0347410900000000,  0.0615095400000000, -0.0142831700000000 ]  - [  -0.0350260200000000,  0.0615751500000000, -0.0046428500000000 ]  - [  -0.0156534800000000,  0.0782403500000000,  0.0114060800000000 ]  - [  -0.0358706600000000,  0.0625861300000000,  0.0084425800000000 ]  - [  -0.0081142700000000, -0.0739123400000000,  0.0015667100000000 ]  - [   0.0731342100000000,  0.0003464300000000,  0.0085423700000000 ]  - [  -0.0268712800000000, -0.0597953600000000, -0.0233647500000000 ]  - [  -0.0278690100000000, -0.0624342700000000, -0.0086072700000000 ]  - [   0.0757884400000000,  0.0023108400000000,  0.0062571600000000 ]  - [   0.0720061400000000,  0.0002408200000000, -0.0272672900000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0371854100000000, -0.0652409300000000,  0.0186681500000000 ]  - [   0.0375997800000000, -0.0633119900000000, -0.0171952900000000 ]  - [  -0.0750930100000000, -0.0004169500000000,  0.0186681500000000 ]  - [  -0.0736296800000000,  0.0009063700000000, -0.0171952900000000 ]  - [   0.0400028600000000,  0.0692869900000000,  0.0392788800000000 ]  - [   0.0377932400000000,  0.0654598100000000, -0.0481423000000000 ]  - [   0.0012247800000000,  0.0004859700000000,  0.0037188700000000 ]  - [   0.0014393000000000, -0.0010400600000000, -0.0049260900000000 ]  - [  -0.0016313900000000, -0.0014953300000000,  0.0173422300000000 ]  - [  -0.0016196500000000, -0.0007595200000000, -0.0067509600000000 ]  - [  -0.0006254800000000,  0.0035630300000000,  0.0033557300000000 ]  - [   0.0002000100000000,  0.0015296300000000, -0.0045715200000000 ]  - [  -0.0124920500000000, -0.0035814400000000, -0.0076486800000000 ]  - [   0.0175365400000000,  0.0025933300000000, -0.0078116700000000 ]  - [   0.0034671700000000,  0.0005110000000000,  0.0010988900000000 ]  - [  -0.0014401200000000,  0.0023904600000000,  0.0002484200000000 ]  - [   0.0005080400000000, -0.0037994700000000,  0.0007816000000000 ]  - [   0.0010406600000000,  0.0009421800000000,  0.0004191100000000 ]  - [   0.0031444100000000, -0.0126091500000000, -0.0076486800000000 ]  - [  -0.0065223800000000,  0.0164837500000000, -0.0078116700000000 ]  - [   0.0033984200000000,  0.0012398300000000,  0.0033557300000000 ]  - [   0.0012246900000000,  0.0009380300000000, -0.0045715200000000 ]  - [  -0.0001915300000000,  0.0013036800000000,  0.0037188700000000 ]  - [  -0.0016203700000000,  0.0007264400000000, -0.0049260900000000 ]  - [  -0.0035444600000000, -0.0014597600000000,  0.0007816000000000 ]  - [   0.0002956200000000,  0.0013723300000000,  0.0004191100000000 ]  - [  -0.0012910500000000,  0.0032581600000000,  0.0010988900000000 ]  - [   0.0027902600000000, -0.0000519500000000,  0.0002484200000000 ]  - [  -0.0004793000000000, -0.0021604900000000,  0.0173422300000000 ]  - [   0.0001520600000000, -0.0017824200000000, -0.0067509600000000 ]  - [   0.0005406000000000,  0.0009363400000000, -0.0023712100000000 ]  - [  -0.0011619100000000, -0.0020125000000000, -0.0019499000000000 ]  - [   0.0005088200000000, -0.0016082400000000,  0.0104369000000000 ]  - [  -0.0007627300000000,  0.0020526300000000, -0.0096097900000000 ]  - [  -0.0016471900000000, -0.0003634600000000,  0.0104369000000000 ]  - [   0.0021589900000000,  0.0003657700000000, -0.0096097900000000 ]  - [   0.0471533700000000,  0.0816720400000000,  0.0308764100000000 ]  - [   0.0350178900000000,  0.0606527600000000, -0.0445099200000000 ]  - [  -0.0687476300000000,  0.0008221700000000,  0.0122604800000000 ]  - [  -0.0691251300000000, -0.0008722200000000, -0.0145550100000000 ]  - [   0.0350858400000000, -0.0591261100000000,  0.0122604800000000 ]  - [   0.0338072000000000, -0.0603002300000000, -0.0145550100000000 ]  - [   0.0002471200000000,  0.0004280200000000,  0.0057591200000000 ]  - [  -0.0000593500000000, -0.0001028000000000, -0.0015296600000000 ]  - [   0.0001651200000000,  0.0257975800000000, -0.0093639700000000 ]  - [   0.0018160800000000, -0.0275201700000000, -0.0097445600000000 ]  - [   0.0222588000000000,  0.0130417900000000, -0.0093639700000000 ]  - [  -0.0247412100000000, -0.0121873200000000, -0.0097445600000000 ]  - [  -0.0021063700000000,  0.0020045900000000,  0.0209079500000000 ]  - [  -0.0001621600000000, -0.0000975400000000, -0.0034432500000000 ]  - [   0.0027892100000000, -0.0008218800000000,  0.0209079500000000 ]  - [  -0.0000033900000000, -0.0001892000000000, -0.0034432500000000 ]  - [  -0.0048780100000000, -0.0002420000000000, -0.0125772500000000 ]  - [   0.0004120000000000, -0.0000005500000000,  0.0097939300000000 ]  - [   0.0116201800000000,  0.0022001200000000, -0.0056234200000000 ]  - [  -0.0117081200000000, -0.0022339200000000,  0.0055953900000000 ]  - [  -0.0039047300000000,  0.0111634300000000, -0.0056234200000000 ]  - [   0.0039194300000000, -0.0112564900000000,  0.0055953900000000 ]  - [   0.0022294300000000, -0.0043454800000000, -0.0125772500000000 ]  - [  -0.0002064800000000,  0.0003565300000000,  0.0097939300000000 ]  - [  -0.0054808700000000,  0.0047026800000000, -0.0023503400000000 ]  - [   0.0012589100000000, -0.0007355800000000,  0.0032944000000000 ]  - [   0.0068130700000000, -0.0023952300000000, -0.0023503400000000 ]  - [  -0.0012664800000000,  0.0007224600000000,  0.0032944000000000 ]  - [   0.0028655700000000,  0.0049633100000000, -0.0027354600000000 ]  - [  -0.0010565200000000, -0.0018299500000000,  0.0029402200000000 ]  - [   0.0073869000000000, -0.0046468500000000, -0.0016482900000000 ]  - [  -0.0001856200000000,  0.0006278500000000,  0.0030363200000000 ]  - [  -0.0037985400000000, -0.0065792600000000, -0.0020804800000000 ]  - [   0.0004649700000000,  0.0008053600000000,  0.0033825800000000 ]  - [  -0.0077177400000000,  0.0040738200000000, -0.0016482900000000 ]  - [   0.0006365400000000,  0.0001531700000000,  0.0030363200000000 ]  - [  -0.0376100100000000, -0.0651424500000000, -0.2580768700000000 ]  - [  -0.0337872100000000, -0.0585211600000000,  0.0613409600000000 ]  - [  -0.0407802900000000,  0.0469349100000000, -0.0047541000000000 ]  - [  -0.0311415500000000,  0.0800243100000000, -0.0116580600000000 ]  - [  -0.0379041000000000,  0.0544294500000000, -0.0179529600000000 ]  - [  -0.0349290900000000,  0.0606123100000000,  0.0328765600000000 ]  - [   0.0660893300000000, -0.0056111900000000, -0.0179529600000000 ]  - [   0.0699563400000000,  0.0000566800000000,  0.0328765600000000 ]  - [  -0.0498137800000000, -0.0862800000000000,  0.1140742200000000 ]  - [  -0.0352491300000000, -0.0610532800000000,  0.1204440100000000 ]  - [   0.0610369700000000, -0.0118493100000000, -0.0047541000000000 ]  - [   0.0848738600000000,  0.0130427800000000, -0.0116580600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0372006000000000, -0.0636232200000000, -0.0187315700000000 ]  - [   0.0367968100000000, -0.0655267400000000,  0.0172020500000000 ]  - [  -0.0736996300000000,  0.0004050500000000, -0.0187315700000000 ]  - [  -0.0751462300000000, -0.0008964000000000,  0.0172020500000000 ]  - [   0.0341592300000000,  0.0591655200000000, -0.0474531400000000 ]  - [   0.0366033600000000,  0.0633988800000000,  0.0482092500000000 ]  - [  -0.0000265100000000, -0.0038903700000000, -0.0057163200000000 ]  - [  -0.0002312000000000, -0.0023465400000000,  0.0029456400000000 ]  - [  -0.0016147000000000,  0.0012502000000000, -0.0193879000000000 ]  - [  -0.0019190900000000,  0.0014119500000000,  0.0047705600000000 ]  - [   0.0029786200000000, -0.0008379300000000, -0.0053436300000000 ]  - [   0.0021103500000000,  0.0012134600000000,  0.0025896300000000 ]  - [   0.0148429300000000,  0.0008479800000000,  0.0095794900000000 ]  - [  -0.0152215800000000, -0.0053371200000000,  0.0098602500000000 ]  - [  -0.0011537900000000,  0.0022290800000000,  0.0008787900000000 ]  - [   0.0037553400000000,  0.0003500700000000,  0.0017382300000000 ]  - [   0.0006976000000000,  0.0004039400000000,  0.0012014800000000 ]  - [   0.0001603000000000, -0.0043386100000000,  0.0015643700000000 ]  - [  -0.0066870900000000,  0.0132783400000000,  0.0095794900000000 ]  - [   0.0029887100000000, -0.0158508300000000,  0.0098602500000000 ]  - [  -0.0022149800000000,  0.0021606000000000, -0.0053436300000000 ]  - [  -0.0000042900000000,  0.0024343500000000,  0.0025896300000000 ]  - [  -0.0033559100000000, -0.0019681400000000, -0.0057163200000000 ]  - [  -0.0019165600000000, -0.0013734900000000,  0.0029456400000000 ]  - [   0.0000010300000000,  0.0008061100000000,  0.0012014800000000 ]  - [  -0.0038375000000000, -0.0020304800000000,  0.0015643700000000 ]  - [   0.0025073400000000,  0.0001153300000000,  0.0008787900000000 ]  - [  -0.0015745000000000,  0.0034272500000000,  0.0017382300000000 ]  - [   0.0018900600000000, -0.0007732700000000, -0.0193879000000000 ]  - [   0.0021823300000000, -0.0009560000000000,  0.0047705600000000 ]  - [  -0.0010298200000000, -0.0017837000000000, -0.0009718300000000 ]  - [   0.0006750500000000,  0.0011692200000000, -0.0013828600000000 ]  - [  -0.0005132500000000,  0.0016163000000000, -0.0104072300000000 ]  - [   0.0007605500000000, -0.0020577600000000,  0.0096246100000000 ]  - [   0.0016563800000000,  0.0003636600000000, -0.0104072300000000 ]  - [  -0.0021623400000000, -0.0003702200000000,  0.0096246100000000 ]  - [   0.0225652000000000,  0.0390840700000000, -0.0238141800000000 ]  - [   0.0340146500000000,  0.0589151100000000,  0.0444764900000000 ]  - [  -0.0693270500000000, -0.0008287500000000, -0.0122450200000000 ]  - [  -0.0689298100000000,  0.0008803900000000,  0.0145539500000000 ]  - [   0.0339458100000000, -0.0604533700000000, -0.0122450200000000 ]  - [   0.0352273400000000, -0.0592547700000000,  0.0145539500000000 ]  - [  -0.0007508200000000, -0.0013004500000000, -0.0024304400000000 ]  - [  -0.0004287900000000, -0.0007426900000000,  0.0048665300000000 ]  - [   0.0008207400000000, -0.0258443300000000,  0.0059747800000000 ]  - [  -0.0008399900000000,  0.0274842500000000,  0.0065018300000000 ]  - [  -0.0227922200000000, -0.0122113900000000,  0.0059747800000000 ]  - [   0.0242220500000000,  0.0130146700000000,  0.0065018300000000 ]  - [   0.0024121900000000, -0.0008954800000000, -0.0177320900000000 ]  - [  -0.0003382100000000,  0.0009385500000000,  0.0067805500000000 ]  - [  -0.0019816100000000,  0.0016412800000000, -0.0177320900000000 ]  - [   0.0009819200000000,  0.0001763800000000,  0.0067805500000000 ]  - [   0.0048555400000000,  0.0002402700000000,  0.0146655200000000 ]  - [  -0.0004169900000000,  0.0000101900000000, -0.0077788400000000 ]  - [  -0.0115843900000000, -0.0021782000000000,  0.0036174200000000 ]  - [   0.0117337200000000,  0.0022559000000000, -0.0076404100000000 ]  - [   0.0039058200000000, -0.0111214700000000,  0.0036174200000000 ]  - [  -0.0039131900000000,  0.0112896500000000, -0.0076404100000000 ]  - [  -0.0022196900000000,  0.0043251600000000,  0.0146655200000000 ]  - [   0.0002173100000000, -0.0003560300000000, -0.0077788400000000 ]  - [   0.0062891100000000, -0.0047467400000000,  0.0023497600000000 ]  - [  -0.0005061400000000,  0.0007340400000000, -0.0032898000000000 ]  - [  -0.0072553500000000,  0.0030731600000000,  0.0023497600000000 ]  - [   0.0008887700000000, -0.0000713100000000, -0.0032898000000000 ]  - [  -0.0035669100000000, -0.0061780800000000,  0.0027388700000000 ]  - [   0.0003226600000000,  0.0005588700000000, -0.0029458800000000 ]  - [  -0.0058561500000000,  0.0045940200000000,  0.0016547000000000 ]  - [   0.0016595400000000, -0.0006298400000000, -0.0030441800000000 ]  - [   0.0034547800000000,  0.0059838600000000,  0.0020769300000000 ]  - [  -0.0008396700000000, -0.0014543500000000, -0.0033779000000000 ]  - [   0.0069066100000000, -0.0027745600000000,  0.0016547000000000 ]  - [  -0.0013752300000000,  0.0011222800000000, -0.0030441800000000 ]  - [  -0.0354627500000000, -0.0614232800000000,  0.2791065700000000 ]  - [  -0.0386819200000000, -0.0669990500000000, -0.0418788500000000 ]  - [  -0.0316823300000000,  0.0785768800000000, -0.0147483700000000 ]  - [  -0.0413321800000000,  0.0454681400000000, -0.0078180100000000 ]  - [  -0.0345557300000000,  0.0713170900000000,  0.0374696800000000 ]  - [  -0.0375377100000000,  0.0649052200000000, -0.0134013300000000 ]  - [   0.0790402800000000,  0.0057324100000000,  0.0374696800000000 ]  - [   0.0749784300000000, -0.0000560000000000, -0.0134013300000000 ]  - [  -0.0226739200000000, -0.0392723900000000, -0.1329755600000000 ]  - [  -0.0371847500000000, -0.0644058800000000, -0.1407212200000000 ]  - [   0.0838907400000000,  0.0118507400000000, -0.0147483700000000 ]  - [   0.0600426500000000, -0.0130606500000000, -0.0078180100000000 ]