# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/80963dff-4e63-45e4-9060-55a2753cb747/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 TaRhO4 / I4_1md (109) / materials id 760402](https://mdr.nims.go.jp/datasets/1004874d-dd1e-4cab-a6f8-6beaa536a058)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "I4_1md"  number: 109  Hall_symbol: "I 4bw -2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -3.345970915000000,     3.345970915000000,     2.975499770000000 ] # a  - [     3.345970915000000,    -3.345970915000000,     2.975499770000000 ] # b  - [     3.345970915000000,     3.345970915000000,    -2.975499770000000 ] # c  points:  - symbol: Ta # 1    coordinates: [  0.763721390000000,  0.263721390000000,  0.500000000000000 ]    mass: 180.947880  - symbol: Ta # 2    coordinates: [  0.013721390000000,  0.013721390000000,  0.000000000000000 ]    mass: 180.947880  - symbol: Rh # 3    coordinates: [  0.247557350000000,  0.747557350000000,  0.500000000000000 ]    mass: 102.905500  - symbol: Rh # 4    coordinates: [  0.497557350000000,  0.497557350000000,  0.000000000000000 ]    mass: 102.905500  - symbol: O  # 5    coordinates: [  0.239206800000000,  0.033506020000000,  0.794299220000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.755153320000000,  0.558279570000000,  0.803126250000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.702027070000000,  0.005153320000000,  0.696873750000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.194907580000000,  0.489206800000000,  0.705700780000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.308279570000000,  0.005153320000000,  0.303126250000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.783506020000000,  0.489206800000000,  0.294299220000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.755153320000000,  0.952027070000000,  0.196873750000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.239206800000000,  0.444907580000000,  0.205700780000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.149433456745992,     0.168038998033598 ] # a*  - [     0.149433456745992,     0.000000000000000,     0.168038998033598 ] # b*  - [     0.149433456745992,     0.149433456745992,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     6.691941830000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.691941830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.950999540000000 ] # c  points:  - symbol: Ta # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.263721390000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.013721390000000 ]    mass: 180.947880    reduced_to: 2  - symbol: Ta # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.763721390000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.513721390000000 ]    mass: 180.947880    reduced_to: 2  - symbol: Rh # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.247557350000000 ]    mass: 102.905500    reduced_to: 5  - symbol: Rh # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.497557350000000 ]    mass: 102.905500    reduced_to: 6  - symbol: Rh # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.747557350000000 ]    mass: 102.905500    reduced_to: 5  - symbol: Rh # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.997557350000000 ]    mass: 102.905500    reduced_to: 6  - symbol: O  # 9    coordinates: [  0.294299220000000,  0.500000000000000,  0.739206800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.303126250000000,  0.500000000000000,  0.255153320000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.000000000000000,  0.696873750000000,  0.005153320000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.500000000000000,  0.205700780000000,  0.989206800000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.303126250000000,  0.005153320000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.000000000000000,  0.294299220000000,  0.489206800000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.196873750000000,  0.000000000000000,  0.755153320000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.205700780000000,  0.000000000000000,  0.239206800000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.794299220000000,  0.000000000000000,  0.239206800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 18    coordinates: [  0.803126250000000,  0.000000000000000,  0.755153320000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 19    coordinates: [  0.500000000000000,  0.196873750000000,  0.505153320000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 20    coordinates: [  0.000000000000000,  0.705700780000000,  0.489206800000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.803126250000000,  0.505153320000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.794299220000000,  0.989206800000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 23    coordinates: [  0.696873750000000,  0.500000000000000,  0.255153320000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 24    coordinates: [  0.705700780000000,  0.500000000000000,  0.739206800000000 ]    mass: 15.999400    reduced_to: 16supercell:  lattice:  - [     6.691941830000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.691941830000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.901999080000000 ] # c  points:  - symbol: Ta # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.131860695000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.631860695000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.006860695000000 ]    mass: 180.947880    reduced_to: 3  - symbol: Ta # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.506860695000000 ]    mass: 180.947880    reduced_to: 3  - symbol: Ta # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.381860695000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.881860695000000 ]    mass: 180.947880    reduced_to: 1  - symbol: Ta # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.256860695000000 ]    mass: 180.947880    reduced_to: 3  - symbol: Ta # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.756860695000000 ]    mass: 180.947880    reduced_to: 3  - symbol: Rh # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.123778675000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.623778675000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.248778675000000 ]    mass: 102.905500    reduced_to: 11  - symbol: Rh # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.748778675000000 ]    mass: 102.905500    reduced_to: 11  - symbol: Rh # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.373778675000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.873778675000000 ]    mass: 102.905500    reduced_to: 9  - symbol: Rh # 15    coordinates: [  0.500000000000000,  0.500000000000000,  0.498778675000000 ]    mass: 102.905500    reduced_to: 11  - symbol: Rh # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.998778675000000 ]    mass: 102.905500    reduced_to: 11  - symbol: O  # 17    coordinates: [  0.294299220000000,  0.500000000000000,  0.369603400000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.294299220000000,  0.500000000000000,  0.869603400000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.303126250000000,  0.500000000000000,  0.127576660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.303126250000000,  0.500000000000000,  0.627576660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.000000000000000,  0.696873750000000,  0.002576660000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.696873750000000,  0.502576660000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.500000000000000,  0.205700780000000,  0.494603400000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.500000000000000,  0.205700780000000,  0.994603400000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.303126250000000,  0.002576660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.303126250000000,  0.502576660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.000000000000000,  0.294299220000000,  0.244603400000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.294299220000000,  0.744603400000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.196873750000000,  0.000000000000000,  0.377576660000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.196873750000000,  0.000000000000000,  0.877576660000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.205700780000000,  0.000000000000000,  0.119603400000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.205700780000000,  0.000000000000000,  0.619603400000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.794299220000000,  0.000000000000000,  0.119603400000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 34    coordinates: [  0.794299220000000,  0.000000000000000,  0.619603400000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 35    coordinates: [  0.803126250000000,  0.000000000000000,  0.377576660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 36    coordinates: [  0.803126250000000,  0.000000000000000,  0.877576660000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 37    coordinates: [  0.500000000000000,  0.196873750000000,  0.252576660000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.196873750000000,  0.752576660000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.705700780000000,  0.244603400000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.705700780000000,  0.744603400000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 41    coordinates: [  0.500000000000000,  0.803126250000000,  0.252576660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 42    coordinates: [  0.500000000000000,  0.803126250000000,  0.752576660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 43    coordinates: [  0.500000000000000,  0.794299220000000,  0.494603400000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.794299220000000,  0.994603400000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 45    coordinates: [  0.696873750000000,  0.500000000000000,  0.127576660000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 46    coordinates: [  0.696873750000000,  0.500000000000000,  0.627576660000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 47    coordinates: [  0.705700780000000,  0.500000000000000,  0.369603400000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 48    coordinates: [  0.705700780000000,  0.500000000000000,  0.869603400000000 ]    mass: 15.999400    reduced_to: 31born_effective_charge:- # 1 (Ta)  - [  7.852342020000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.961927190000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  8.013148830000000 ]- # 2 (Ta)  - [  5.961927190000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  7.852342020000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  8.013148830000000 ]- # 3 (Rh)  - [  1.711303810000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000,  0.989853580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.244804800000000 ]- # 4 (Rh)  - [  0.989853580000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.711303810000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.244804800000000 ]- # 5 (O)  - [ -2.291735710000000,  0.000000000000000,  0.695784810000000 ]  - [ -0.000000000000000, -0.746345870000000, -0.000000000000000 ]  - [  0.051452770000000, -0.000000000000000, -1.654437620000000 ]- # 6 (O)  - [ -4.459464060000000,  0.000000000000000, -0.449528520000000 ]  - [ -0.000000000000000, -0.760167660000000, -0.000000000000000 ]  - [  0.017188170000000, -0.000000000000000, -2.974539190000000 ]- # 7 (O)  - [ -0.760167660000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -4.459464060000000,  0.449528520000000 ]  - [ -0.000000000000000, -0.017188170000000, -2.974539190000000 ]- # 8 (O)  - [ -0.746345870000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -2.291735710000000, -0.695784810000000 ]  - [ -0.000000000000000, -0.051452770000000, -1.654437620000000 ]- # 9 (O)  - [ -0.760167660000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -4.459464060000000, -0.449528520000000 ]  - [  0.000000000000000,  0.017188170000000, -2.974539190000000 ]- # 10 (O)  - [ -0.746345870000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.291735710000000,  0.695784810000000 ]  - [  0.000000000000000,  0.051452770000000, -1.654437620000000 ]- # 11 (O)  - [ -4.459464060000000,  0.000000000000000,  0.449528520000000 ]  - [ -0.000000000000000, -0.760167660000000,  0.000000000000000 ]  - [ -0.017188170000000,  0.000000000000000, -2.974539190000000 ]- # 12 (O)  - [ -2.291735710000000,  0.000000000000000, -0.695784810000000 ]  - [ -0.000000000000000, -0.746345870000000,  0.000000000000000 ]  - [ -0.051452770000000,  0.000000000000000, -1.654437620000000 ]dielectric_constant:  - [  9.551078850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  9.551078850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  9.261704600000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1829635600000000,  0.0000000000000000,  0.0010980300000000 ]  - [   0.0008433500000000,  0.0000000000000000,  0.0007949400000000 ]  - [  -0.0091814200000000,  0.0000000000000000,  0.0009288900000000 ]  - [   0.0001254300000000,  0.0000000000000000,  0.0008248000000000 ]  - [   0.0002163000000000,  0.0000000000000000,  0.0009222200000000 ]  - [   0.0002156000000000,  0.0000000000000000,  0.0008152600000000 ]  - [   0.1114990600000000,  0.0000000000000000,  0.0014607800000000 ]  - [  -0.0056256900000000,  0.0000000000000000,  0.0007738700000000 ]  - [   0.0100275400000000,  0.0000000000000000, -0.0006788300000000 ]  - [   0.0000449500000000,  0.0000000000000000, -0.0006782000000000 ]  - [  -0.0147950500000000,  0.0000000000000000, -0.0008196800000000 ]  - [  -0.0001662500000000,  0.0000000000000000, -0.0006761200000000 ]  - [   0.0001436600000000,  0.0000000000000000, -0.0008301700000000 ]  - [  -0.0041534900000000,  0.0000000000000000, -0.0005195100000000 ]  - [   0.0009415500000000,  0.0000000000000000, -0.0006758100000000 ]  - [   0.0443308900000000,  0.0000000000000000, -0.0008165500000000 ]  - [  -0.0108227200000000,  0.0000000000000000,  0.0039264600000000 ]  - [  -0.0025752000000000,  0.0000000000000000, -0.0091121600000000 ]  - [   0.0360553000000000,  0.0000000000000000, -0.0210409900000000 ]  - [   0.0012983300000000,  0.0000000000000000,  0.0004510000000000 ]  - [   0.0067504600000000, -0.0016850800000000,  0.0007356400000000 ]  - [  -0.0002915300000000, -0.0014288800000000,  0.0004827700000000 ]  - [  -0.0000210500000000, -0.0007227600000000, -0.0005332000000000 ]  - [  -0.0022392100000000, -0.0007158000000000, -0.0005185200000000 ]  - [   0.0067504600000000,  0.0016850800000000,  0.0007356400000000 ]  - [  -0.0002915300000000,  0.0014288800000000,  0.0004827700000000 ]  - [   0.0104964300000000,  0.0013027200000000, -0.0008616200000000 ]  - [  -0.0001135500000000,  0.0007176500000000, -0.0005389800000000 ]  - [  -0.0012582300000000,  0.0000000000000000,  0.0012528900000000 ]  - [  -0.0007908300000000,  0.0000000000000000, -0.0001510300000000 ]  - [   0.0002317900000000,  0.0000000000000000,  0.0007633600000000 ]  - [  -0.0007107300000000,  0.0000000000000000, -0.0005528800000000 ]  - [   0.0016600900000000,  0.0000000000000000, -0.0017876100000000 ]  - [   0.0007233100000000,  0.0000000000000000, -0.0005100500000000 ]  - [   0.0015969100000000,  0.0000000000000000, -0.0003742400000000 ]  - [   0.0020488500000000,  0.0000000000000000,  0.0010085100000000 ]  - [  -0.0087404200000000, -0.0014029900000000,  0.0003864500000000 ]  - [   0.0001384200000000, -0.0014426800000000,  0.0004524300000000 ]  - [   0.0104964300000000, -0.0013027200000000, -0.0008616200000000 ]  - [  -0.0001135500000000, -0.0007176500000000, -0.0005389800000000 ]  - [  -0.0087404200000000,  0.0014029900000000,  0.0003864500000000 ]  - [   0.0001384200000000,  0.0014426800000000,  0.0004524300000000 ]  - [  -0.0000210500000000,  0.0007227600000000, -0.0005332000000000 ]  - [  -0.0022392100000000,  0.0007158000000000, -0.0005185200000000 ]  - [   0.0269864000000000,  0.0000000000000000,  0.0215927400000000 ]  - [  -0.0016471900000000,  0.0000000000000000,  0.0004685400000000 ]  - [  -0.0122668200000000,  0.0000000000000000, -0.0051148600000000 ]  - [  -0.0039912300000000,  0.0000000000000000,  0.0080464300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.2770518200000000, -0.0021095700000000 ]  - [   0.0000000000000000,  0.0090273200000000,  0.0007685600000000 ]  - [   0.0000000000000000,  0.1114911100000000,  0.0006586600000000 ]  - [   0.0000000000000000, -0.0056242600000000,  0.0008810600000000 ]  - [   0.0000000000000000,  0.0034637500000000,  0.0008641400000000 ]  - [   0.0000000000000000,  0.0034632000000000,  0.0008319800000000 ]  - [   0.0000000000000000, -0.0091823900000000,  0.0008410700000000 ]  - [   0.0000000000000000,  0.0001248600000000,  0.0008399200000000 ]  - [   0.0000000000000000,  0.0031114500000000, -0.0006609600000000 ]  - [   0.0000000000000000,  0.0000580400000000, -0.0006730900000000 ]  - [   0.0000000000000000,  0.0535144200000000, -0.0007607900000000 ]  - [   0.0000000000000000, -0.0004320100000000, -0.0006695700000000 ]  - [   0.0000000000000000, -0.0440764000000000, -0.0002625000000000 ]  - [   0.0000000000000000, -0.0336733300000000, -0.0006996800000000 ]  - [   0.0000000000000000,  0.0006778400000000, -0.0006841900000000 ]  - [   0.0000000000000000, -0.0044401900000000, -0.0006925300000000 ]  - [   0.0007136900000000,  0.0007899500000000, -0.0005501800000000 ]  - [   0.0007159700000000,  0.0006134300000000, -0.0005327200000000 ]  - [   0.0010977300000000,  0.0124143100000000,  0.0005211500000000 ]  - [   0.0014448000000000, -0.0003886600000000,  0.0004567200000000 ]  - [   0.0000000000000000,  0.0004389800000000, -0.0176175000000000 ]  - [   0.0000000000000000,  0.0065273900000000,  0.0066644400000000 ]  - [   0.0000000000000000, -0.0009395300000000, -0.0005836100000000 ]  - [   0.0000000000000000, -0.0015088900000000, -0.0013311400000000 ]  - [   0.0000000000000000,  0.0019321700000000,  0.0166889700000000 ]  - [   0.0000000000000000,  0.0093012900000000, -0.0057256800000000 ]  - [   0.0000000000000000,  0.0861255400000000, -0.0686341100000000 ]  - [   0.0000000000000000,  0.0039274000000000,  0.0053236600000000 ]  - [  -0.0014546400000000, -0.0011810100000000,  0.0004323100000000 ]  - [  -0.0014552600000000, -0.0063649000000000,  0.0004499400000000 ]  - [  -0.0006509500000000, -0.0089023900000000, -0.0005119000000000 ]  - [  -0.0007222300000000,  0.0008897300000000, -0.0005365600000000 ]  - [   0.0006509500000000, -0.0089023900000000, -0.0005119000000000 ]  - [   0.0007222300000000,  0.0008897300000000, -0.0005365600000000 ]  - [   0.0014546400000000, -0.0011810100000000,  0.0004323100000000 ]  - [   0.0014552600000000, -0.0063649000000000,  0.0004499400000000 ]  - [   0.0000000000000000, -0.0019642100000000,  0.0003925000000000 ]  - [   0.0000000000000000, -0.0018821900000000,  0.0007327100000000 ]  - [   0.0000000000000000,  0.0868718000000000,  0.0720724700000000 ]  - [   0.0000000000000000,  0.0025290100000000, -0.0063621100000000 ]  - [   0.0000000000000000,  0.0010127300000000,  0.0005117900000000 ]  - [   0.0000000000000000,  0.0010287200000000,  0.0001718200000000 ]  - [   0.0000000000000000,  0.0004989600000000, -0.0004951100000000 ]  - [   0.0000000000000000, -0.0000916400000000,  0.0002608600000000 ]  - [  -0.0010977300000000,  0.0124143100000000,  0.0005211500000000 ]  - [  -0.0014448000000000, -0.0003886600000000,  0.0004567200000000 ]  - [  -0.0007136900000000,  0.0007899500000000, -0.0005501800000000 ]  - [  -0.0007159700000000,  0.0006134300000000, -0.0005327200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.3191243300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0415477900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0169967500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0156446500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034370700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0035297700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0171735400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0156467500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027879300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011790800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086626000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001156800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0336584000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0400056500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045888600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051600200000000 ]  - [  -0.0022068700000000,  0.0000000000000000,  0.0024013600000000 ]  - [   0.0037965500000000,  0.0000000000000000, -0.0024905900000000 ]  - [  -0.0042456200000000,  0.0000000000000000,  0.0195610700000000 ]  - [   0.0028638300000000,  0.0000000000000000, -0.0073521600000000 ]  - [   0.0000000000000000, -0.0403060100000000,  0.0382070200000000 ]  - [   0.0000000000000000, -0.0077299200000000, -0.0138546900000000 ]  - [   0.0000000000000000, -0.0003810600000000, -0.0018611900000000 ]  - [   0.0000000000000000, -0.0017053600000000,  0.0006769200000000 ]  - [   0.0000000000000000,  0.0403060100000000,  0.0382070200000000 ]  - [   0.0000000000000000,  0.0077299200000000, -0.0138546900000000 ]  - [   0.0000000000000000, -0.1029241300000000,  0.0786330100000000 ]  - [   0.0000000000000000, -0.0014384800000000, -0.0088671900000000 ]  - [  -0.0005394100000000,  0.0000000000000000, -0.0002954700000000 ]  - [   0.0048723700000000,  0.0000000000000000, -0.0062383400000000 ]  - [   0.0030178000000000,  0.0000000000000000,  0.0115016100000000 ]  - [  -0.0010708200000000,  0.0000000000000000, -0.0043919000000000 ]  - [  -0.0030178000000000,  0.0000000000000000,  0.0115016100000000 ]  - [   0.0010708200000000,  0.0000000000000000, -0.0043919000000000 ]  - [   0.0005394100000000,  0.0000000000000000, -0.0002954700000000 ]  - [  -0.0048723700000000,  0.0000000000000000, -0.0062383400000000 ]  - [   0.0000000000000000,  0.0016146100000000,  0.0031379900000000 ]  - [   0.0000000000000000, -0.0022282400000000, -0.0034917200000000 ]  - [   0.0000000000000000,  0.1029241300000000,  0.0786330100000000 ]  - [   0.0000000000000000,  0.0014384800000000, -0.0088671900000000 ]  - [   0.0000000000000000, -0.0016146100000000,  0.0031379900000000 ]  - [   0.0000000000000000,  0.0022282400000000, -0.0034917200000000 ]  - [   0.0000000000000000,  0.0003810600000000, -0.0018611900000000 ]  - [   0.0000000000000000,  0.0017053600000000,  0.0006769200000000 ]  - [   0.0042456200000000,  0.0000000000000000,  0.0195610700000000 ]  - [  -0.0028638300000000,  0.0000000000000000, -0.0073521600000000 ]  - [   0.0022068700000000,  0.0000000000000000,  0.0024013600000000 ]  - [  -0.0037965500000000,  0.0000000000000000, -0.0024905900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.3161086400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0403549100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0187899300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0140689100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018340000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017349900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0186184400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0140446400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014476900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025465800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0069242400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013795500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0337941500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0410088900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059545100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038520900000000 ]  - [   0.0036360000000000,  0.0000000000000000, -0.0034406700000000 ]  - [  -0.0024068600000000,  0.0000000000000000,  0.0014443400000000 ]  - [   0.0063467800000000,  0.0000000000000000, -0.0184491300000000 ]  - [  -0.0000112900000000,  0.0000000000000000,  0.0082970000000000 ]  - [   0.0000000000000000,  0.0406881700000000, -0.0393396500000000 ]  - [   0.0000000000000000,  0.0049717000000000,  0.0148706600000000 ]  - [   0.0000000000000000, -0.0010423400000000,  0.0008131900000000 ]  - [   0.0000000000000000,  0.0002597600000000, -0.0017673200000000 ]  - [   0.0000000000000000, -0.0406881700000000, -0.0393396500000000 ]  - [   0.0000000000000000, -0.0049717000000000,  0.0148706600000000 ]  - [   0.0000000000000000,  0.1009117400000000, -0.0760364300000000 ]  - [   0.0000000000000000,  0.0028973900000000,  0.0078263500000000 ]  - [  -0.0023692200000000,  0.0000000000000000,  0.0012107100000000 ]  - [  -0.0077917700000000,  0.0000000000000000,  0.0070672900000000 ]  - [  -0.0044247300000000,  0.0000000000000000, -0.0125630200000000 ]  - [  -0.0003402600000000,  0.0000000000000000,  0.0033640200000000 ]  - [   0.0044247300000000,  0.0000000000000000, -0.0125630200000000 ]  - [   0.0003402600000000,  0.0000000000000000,  0.0033640200000000 ]  - [   0.0023692200000000,  0.0000000000000000,  0.0012107100000000 ]  - [   0.0077917700000000,  0.0000000000000000,  0.0070672900000000 ]  - [   0.0000000000000000, -0.0045890100000000, -0.0021840000000000 ]  - [   0.0000000000000000, -0.0006348700000000,  0.0043767200000000 ]  - [   0.0000000000000000, -0.1009117400000000, -0.0760364300000000 ]  - [   0.0000000000000000, -0.0028973900000000,  0.0078263500000000 ]  - [   0.0000000000000000,  0.0045890100000000, -0.0021840000000000 ]  - [   0.0000000000000000,  0.0006348700000000,  0.0043767200000000 ]  - [   0.0000000000000000,  0.0010423400000000,  0.0008131900000000 ]  - [   0.0000000000000000, -0.0002597600000000, -0.0017673200000000 ]  - [  -0.0063467800000000,  0.0000000000000000, -0.0184491300000000 ]  - [   0.0000112900000000,  0.0000000000000000,  0.0082970000000000 ]  - [  -0.0036360000000000,  0.0000000000000000, -0.0034406700000000 ]  - [   0.0024068600000000,  0.0000000000000000,  0.0014443400000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0100291200000000,  0.0000000000000000,  0.0008418000000000 ]  - [   0.0000425200000000,  0.0000000000000000,  0.0008548600000000 ]  - [   0.0535171300000000,  0.0000000000000000,  0.0011707200000000 ]  - [  -0.0004315200000000,  0.0000000000000000,  0.0007656800000000 ]  - [  -0.0041552600000000,  0.0000000000000000,  0.0009718400000000 ]  - [   0.0001399500000000,  0.0000000000000000,  0.0005176100000000 ]  - [  -0.0044425400000000,  0.0000000000000000,  0.0009166200000000 ]  - [   0.0006788100000000,  0.0000000000000000,  0.0008112200000000 ]  - [  -0.3095143600000000,  0.0000000000000000, -0.0002190100000000 ]  - [  -0.0005844800000000,  0.0000000000000000, -0.0006914400000000 ]  - [   0.0037738600000000,  0.0000000000000000, -0.0009521700000000 ]  - [   0.0005081900000000,  0.0000000000000000, -0.0006796700000000 ]  - [  -0.0009104500000000,  0.0000000000000000, -0.0006773200000000 ]  - [  -0.0009101200000000,  0.0000000000000000, -0.0006340100000000 ]  - [   0.0006055300000000,  0.0000000000000000, -0.0006792500000000 ]  - [   0.0076171200000000,  0.0000000000000000, -0.0007264100000000 ]  - [   0.0034124200000000,  0.0000000000000000, -0.0029305000000000 ]  - [   0.0005566000000000,  0.0000000000000000, -0.0004492100000000 ]  - [  -0.0010364300000000,  0.0000000000000000,  0.0006679400000000 ]  - [   0.0013014300000000,  0.0000000000000000,  0.0007024700000000 ]  - [  -0.0034436600000000, -0.0015493700000000,  0.0004474800000000 ]  - [   0.0001044900000000, -0.0014567900000000,  0.0004585100000000 ]  - [   0.0002384000000000, -0.0007353800000000, -0.0005162800000000 ]  - [   0.0168921700000000, -0.0007016800000000, -0.0003287500000000 ]  - [  -0.0034436600000000,  0.0015493700000000,  0.0004474800000000 ]  - [   0.0001044900000000,  0.0014567900000000,  0.0004585100000000 ]  - [  -0.0014434300000000,  0.0007251800000000, -0.0005585700000000 ]  - [   0.0001395800000000,  0.0007110500000000, -0.0005485200000000 ]  - [   0.0004237200000000,  0.0000000000000000,  0.0007004300000000 ]  - [  -0.0047569200000000,  0.0000000000000000,  0.0018793500000000 ]  - [   0.0867453100000000,  0.0000000000000000, -0.0014454300000000 ]  - [  -0.0007855300000000,  0.0000000000000000, -0.0004670200000000 ]  - [   0.0957972300000000,  0.0000000000000000, -0.0000168000000000 ]  - [   0.0006653400000000,  0.0000000000000000, -0.0005698000000000 ]  - [   0.0030204200000000,  0.0000000000000000,  0.0004661700000000 ]  - [  -0.0022211400000000,  0.0000000000000000, -0.0011343100000000 ]  - [   0.0204902300000000, -0.0015546800000000,  0.0002920100000000 ]  - [  -0.0002417700000000, -0.0014696300000000,  0.0004732100000000 ]  - [  -0.0014434300000000, -0.0007251800000000, -0.0005585700000000 ]  - [   0.0001395800000000, -0.0007110500000000, -0.0005485200000000 ]  - [   0.0204902300000000,  0.0015546800000000,  0.0002920100000000 ]  - [  -0.0002417700000000,  0.0014696300000000,  0.0004732100000000 ]  - [   0.0002384000000000,  0.0007353800000000, -0.0005162800000000 ]  - [   0.0168921700000000,  0.0007016800000000, -0.0003287500000000 ]  - [  -0.0040094200000000,  0.0000000000000000,  0.0001920200000000 ]  - [  -0.0016384700000000,  0.0000000000000000,  0.0002050500000000 ]  - [   0.0019805900000000,  0.0000000000000000,  0.0017884400000000 ]  - [  -0.0008906600000000,  0.0000000000000000, -0.0006180300000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0031132000000000,  0.0009507600000000 ]  - [   0.0000000000000000,  0.0000566100000000,  0.0008316000000000 ]  - [   0.0000000000000000, -0.0148013000000000,  0.0006261900000000 ]  - [   0.0000000000000000, -0.0001671800000000,  0.0008156000000000 ]  - [   0.0000000000000000, -0.0336765500000000,  0.0007781000000000 ]  - [   0.0000000000000000, -0.0440774700000000,  0.0005689200000000 ]  - [   0.0000000000000000,  0.0443357000000000,  0.0010225600000000 ]  - [   0.0000000000000000,  0.0009419300000000,  0.0008312000000000 ]  - [   0.0000000000000000, -0.2698014200000000, -0.0012025900000000 ]  - [   0.0000000000000000, -0.0032310900000000, -0.0006811500000000 ]  - [   0.0000000000000000,  0.0076170600000000, -0.0007784900000000 ]  - [   0.0000000000000000,  0.0006044200000000, -0.0006630100000000 ]  - [   0.0000000000000000,  0.0003034000000000, -0.0006628400000000 ]  - [   0.0000000000000000,  0.0003037800000000, -0.0006887500000000 ]  - [   0.0000000000000000,  0.0005078600000000, -0.0006890100000000 ]  - [   0.0000000000000000,  0.0037743900000000, -0.0008954000000000 ]  - [   0.0007077300000000, -0.0034062200000000, -0.0005225700000000 ]  - [   0.0007192100000000, -0.0002018400000000, -0.0005306100000000 ]  - [   0.0014224000000000, -0.0064658900000000,  0.0004282600000000 ]  - [   0.0014464000000000,  0.0000605100000000,  0.0004455200000000 ]  - [   0.0000000000000000, -0.0010908600000000,  0.0010151600000000 ]  - [   0.0000000000000000, -0.0014558700000000,  0.0003027900000000 ]  - [   0.0000000000000000,  0.0034471900000000, -0.0015885400000000 ]  - [   0.0000000000000000,  0.0701929100000000,  0.0028668800000000 ]  - [   0.0000000000000000,  0.0016495600000000, -0.0001018100000000 ]  - [   0.0000000000000000,  0.0014674800000000,  0.0005949100000000 ]  - [   0.0000000000000000, -0.0003440500000000,  0.0004417400000000 ]  - [   0.0000000000000000,  0.0007445900000000, -0.0005222700000000 ]  - [  -0.0014535800000000,  0.0002090200000000,  0.0004868400000000 ]  - [  -0.0014473300000000,  0.0032225700000000,  0.0004695900000000 ]  - [  -0.0005034400000000,  0.0258352600000000, -0.0003595400000000 ]  - [  -0.0007224400000000, -0.0000272700000000, -0.0005381300000000 ]  - [   0.0005034400000000,  0.0258352600000000, -0.0003595400000000 ]  - [   0.0007224400000000, -0.0000272700000000, -0.0005381300000000 ]  - [   0.0014535800000000,  0.0002090200000000,  0.0004868400000000 ]  - [   0.0014473300000000,  0.0032225700000000,  0.0004695900000000 ]  - [   0.0000000000000000,  0.0564711600000000,  0.0222805200000000 ]  - [   0.0000000000000000,  0.0008326200000000,  0.0014588700000000 ]  - [   0.0000000000000000, -0.0017959000000000, -0.0015541900000000 ]  - [   0.0000000000000000, -0.0007073700000000, -0.0005333100000000 ]  - [   0.0000000000000000,  0.0575192500000000, -0.0191043100000000 ]  - [   0.0000000000000000,  0.0036909200000000, -0.0005635300000000 ]  - [   0.0000000000000000,  0.0048861700000000,  0.0005647900000000 ]  - [   0.0000000000000000,  0.0702365700000000, -0.0054801200000000 ]  - [  -0.0014224000000000, -0.0064658900000000,  0.0004282600000000 ]  - [  -0.0014464000000000,  0.0000605100000000,  0.0004455200000000 ]  - [  -0.0007077300000000, -0.0034062200000000, -0.0005225700000000 ]  - [  -0.0007192100000000, -0.0002018400000000, -0.0005306100000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0012264700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027223600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0072750400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016753100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0411638000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0343481800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035433100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0061314700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3365182200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001886100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0201795200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009744900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006932100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007215600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009475300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0202297800000000 ]  - [   0.0011327400000000,  0.0000000000000000, -0.0019114500000000 ]  - [   0.0015031400000000,  0.0000000000000000, -0.0006392300000000 ]  - [   0.0040215000000000,  0.0000000000000000,  0.0043350000000000 ]  - [   0.0016145500000000,  0.0000000000000000, -0.0008804600000000 ]  - [   0.0000000000000000, -0.0010907200000000,  0.0013358900000000 ]  - [   0.0000000000000000, -0.0010056600000000,  0.0001375000000000 ]  - [   0.0000000000000000, -0.0022194500000000, -0.0018501700000000 ]  - [   0.0000000000000000, -0.0419910800000000,  0.0445649900000000 ]  - [   0.0000000000000000,  0.0010907200000000,  0.0013358900000000 ]  - [   0.0000000000000000,  0.0010056600000000,  0.0001375000000000 ]  - [   0.0000000000000000,  0.0007878000000000, -0.0010971600000000 ]  - [   0.0000000000000000,  0.0010149700000000, -0.0008690700000000 ]  - [   0.0075108400000000,  0.0000000000000000,  0.0028040400000000 ]  - [  -0.0087098700000000,  0.0000000000000000,  0.0009645100000000 ]  - [   0.0140847200000000,  0.0000000000000000,  0.0446982300000000 ]  - [  -0.0008494600000000,  0.0000000000000000, -0.0010911500000000 ]  - [  -0.0140847200000000,  0.0000000000000000,  0.0446982300000000 ]  - [   0.0008494600000000,  0.0000000000000000, -0.0010911500000000 ]  - [  -0.0075108400000000,  0.0000000000000000,  0.0028040400000000 ]  - [   0.0087098700000000,  0.0000000000000000,  0.0009645100000000 ]  - [   0.0000000000000000,  0.0441225500000000,  0.0614147500000000 ]  - [   0.0000000000000000, -0.0005825600000000, -0.0006099300000000 ]  - [   0.0000000000000000, -0.0007878000000000, -0.0010971600000000 ]  - [   0.0000000000000000, -0.0010149700000000, -0.0008690700000000 ]  - [   0.0000000000000000, -0.0441225500000000,  0.0614147500000000 ]  - [   0.0000000000000000,  0.0005825600000000, -0.0006099300000000 ]  - [   0.0000000000000000,  0.0022194500000000, -0.0018501700000000 ]  - [   0.0000000000000000,  0.0419910800000000,  0.0445649900000000 ]  - [  -0.0040215000000000,  0.0000000000000000,  0.0043350000000000 ]  - [  -0.0016145500000000,  0.0000000000000000, -0.0008804600000000 ]  - [  -0.0011327400000000,  0.0000000000000000, -0.0019114500000000 ]  - [  -0.0015031400000000,  0.0000000000000000, -0.0006392300000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0029998700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010091300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0083180600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001686500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0398538700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0330863800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0054730100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044021300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3339347700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010432200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0191763800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023195900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006369300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006754900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023472600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0191183800000000 ]  - [   0.0002340300000000,  0.0000000000000000,  0.0009144400000000 ]  - [  -0.0000617000000000,  0.0000000000000000, -0.0004090700000000 ]  - [  -0.0012414300000000,  0.0000000000000000, -0.0035322100000000 ]  - [   0.0012455800000000,  0.0000000000000000,  0.0017572800000000 ]  - [   0.0000000000000000, -0.0017056900000000, -0.0004379800000000 ]  - [   0.0000000000000000, -0.0018923300000000,  0.0007271500000000 ]  - [   0.0000000000000000,  0.0007106000000000,  0.0009411800000000 ]  - [   0.0000000000000000,  0.0426572700000000, -0.0478716900000000 ]  - [   0.0000000000000000,  0.0017056900000000, -0.0004379800000000 ]  - [   0.0000000000000000,  0.0018923300000000,  0.0007271500000000 ]  - [   0.0000000000000000,  0.0006483100000000,  0.0000394100000000 ]  - [   0.0000000000000000,  0.0004298000000000, -0.0001820800000000 ]  - [  -0.0104658600000000,  0.0000000000000000, -0.0020964200000000 ]  - [   0.0057100200000000,  0.0000000000000000,  0.0000566200000000 ]  - [  -0.0155168500000000,  0.0000000000000000, -0.0453439100000000 ]  - [  -0.0006080200000000,  0.0000000000000000, -0.0000038000000000 ]  - [   0.0155168500000000,  0.0000000000000000, -0.0453439100000000 ]  - [   0.0006080200000000,  0.0000000000000000, -0.0000038000000000 ]  - [   0.0104658600000000,  0.0000000000000000, -0.0020964200000000 ]  - [  -0.0057100200000000,  0.0000000000000000,  0.0000566200000000 ]  - [   0.0000000000000000, -0.0437145400000000, -0.0578218200000000 ]  - [   0.0000000000000000, -0.0022358800000000,  0.0013553400000000 ]  - [   0.0000000000000000, -0.0006483100000000,  0.0000394100000000 ]  - [   0.0000000000000000, -0.0004298000000000, -0.0001820800000000 ]  - [   0.0000000000000000,  0.0437145400000000, -0.0578218200000000 ]  - [   0.0000000000000000,  0.0022358800000000,  0.0013553400000000 ]  - [   0.0000000000000000, -0.0007106000000000,  0.0009411800000000 ]  - [   0.0000000000000000, -0.0426572700000000, -0.0478716900000000 ]  - [   0.0012414300000000,  0.0000000000000000, -0.0035322100000000 ]  - [  -0.0012455800000000,  0.0000000000000000,  0.0017572800000000 ]  - [  -0.0002340300000000,  0.0000000000000000,  0.0009144400000000 ]  - [   0.0000617000000000,  0.0000000000000000, -0.0004090700000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0116070000000000,  0.0000000000000000, -0.0021880400000000 ]  - [  -0.0033112500000000,  0.0000000000000000,  0.0040741800000000 ]  - [  -0.0002214900000000,  0.0000000000000000,  0.0005247100000000 ]  - [  -0.0008175400000000,  0.0000000000000000,  0.0018709000000000 ]  - [   0.0009756600000000,  0.0000000000000000, -0.0028931900000000 ]  - [   0.0000061000000000,  0.0000000000000000,  0.0012528100000000 ]  - [   0.0877420500000000,  0.0000000000000000, -0.1035023300000000 ]  - [   0.0032618700000000,  0.0000000000000000, -0.0013373400000000 ]  - [   0.0027087200000000,  0.0000000000000000, -0.0002259500000000 ]  - [  -0.0001723000000000,  0.0000000000000000,  0.0001066900000000 ]  - [  -0.0010783800000000,  0.0000000000000000, -0.0006139100000000 ]  - [   0.0000183500000000,  0.0000000000000000, -0.0003813000000000 ]  - [   0.0877868900000000,  0.0000000000000000, -0.0153113300000000 ]  - [  -0.0000640900000000,  0.0000000000000000, -0.0005710800000000 ]  - [   0.0710257200000000,  0.0000000000000000,  0.0427262200000000 ]  - [   0.0041728900000000,  0.0000000000000000,  0.0008194500000000 ]  - [  -0.2931002600000000,  0.0000000000000000,  0.0802261800000000 ]  - [  -0.0003918300000000,  0.0000000000000000, -0.0008914000000000 ]  - [   0.0018161900000000,  0.0000000000000000,  0.0075872900000000 ]  - [  -0.0038714600000000,  0.0000000000000000, -0.0045857300000000 ]  - [   0.0009111400000000, -0.0008910300000000,  0.0002357600000000 ]  - [   0.0017667000000000, -0.0009232600000000, -0.0005556600000000 ]  - [   0.0002758200000000, -0.0000416700000000, -0.0004072900000000 ]  - [  -0.0002381900000000, -0.0008119800000000, -0.0004617700000000 ]  - [   0.0009111400000000,  0.0008910300000000,  0.0002357600000000 ]  - [   0.0017667000000000,  0.0009232600000000, -0.0005556600000000 ]  - [   0.0021462900000000,  0.0000271600000000,  0.0009792700000000 ]  - [   0.0004044200000000,  0.0008093400000000, -0.0006682700000000 ]  - [  -0.0012525300000000,  0.0000000000000000,  0.0006658700000000 ]  - [  -0.0015058900000000,  0.0000000000000000,  0.0002728500000000 ]  - [  -0.0005539100000000,  0.0000000000000000, -0.0002931700000000 ]  - [  -0.0005538700000000,  0.0000000000000000, -0.0006286700000000 ]  - [   0.0007194900000000,  0.0000000000000000, -0.0006449500000000 ]  - [   0.0007226800000000,  0.0000000000000000, -0.0005547100000000 ]  - [   0.0013276300000000,  0.0000000000000000,  0.0005405100000000 ]  - [   0.0015570100000000,  0.0000000000000000,  0.0002986300000000 ]  - [   0.0001169300000000, -0.0089106300000000, -0.0012745500000000 ]  - [  -0.0000975800000000, -0.0021012800000000,  0.0000861100000000 ]  - [   0.0021462900000000, -0.0000271600000000,  0.0009792700000000 ]  - [   0.0004044200000000, -0.0008093400000000, -0.0006682700000000 ]  - [   0.0001169300000000,  0.0089106300000000, -0.0012745500000000 ]  - [  -0.0000975800000000,  0.0021012800000000,  0.0000861100000000 ]  - [   0.0002758200000000,  0.0000416700000000, -0.0004072900000000 ]  - [  -0.0002381900000000,  0.0008119800000000, -0.0004617700000000 ]  - [   0.0228158500000000,  0.0000000000000000, -0.0188683400000000 ]  - [  -0.0065077000000000,  0.0000000000000000,  0.0062904700000000 ]  - [   0.0299124000000000,  0.0000000000000000,  0.0098179800000000 ]  - [  -0.0021310700000000,  0.0000000000000000,  0.0005495000000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0114829400000000,  0.0000000000000000,  0.0036572500000000 ]  - [   0.0032572200000000,  0.0000000000000000, -0.0021202800000000 ]  - [   0.0002183500000000,  0.0000000000000000,  0.0011866800000000 ]  - [   0.0007831100000000,  0.0000000000000000, -0.0001155300000000 ]  - [  -0.0009141300000000,  0.0000000000000000,  0.0045502700000000 ]  - [  -0.0000055100000000,  0.0000000000000000,  0.0005297900000000 ]  - [  -0.0852336600000000,  0.0000000000000000,  0.1003565400000000 ]  - [  -0.0031954400000000,  0.0000000000000000,  0.0029839200000000 ]  - [  -0.0026856000000000,  0.0000000000000000, -0.0011202100000000 ]  - [   0.0001610300000000,  0.0000000000000000, -0.0014623600000000 ]  - [   0.0010619800000000,  0.0000000000000000, -0.0007479200000000 ]  - [  -0.0000188900000000,  0.0000000000000000, -0.0009568100000000 ]  - [  -0.0947357800000000,  0.0000000000000000,  0.0142962500000000 ]  - [   0.0000558700000000,  0.0000000000000000, -0.0008226500000000 ]  - [  -0.0694029400000000,  0.0000000000000000, -0.0419153100000000 ]  - [  -0.0041604000000000,  0.0000000000000000, -0.0021062100000000 ]  - [   0.2973054900000000,  0.0000000000000000, -0.0790987500000000 ]  - [   0.0018389400000000,  0.0000000000000000, -0.0001538100000000 ]  - [   0.0009545500000000,  0.0000000000000000, -0.0067648400000000 ]  - [   0.0065560400000000,  0.0000000000000000,  0.0054974300000000 ]  - [  -0.0009044000000000, -0.0020132500000000,  0.0006673700000000 ]  - [  -0.0017496500000000, -0.0019792500000000,  0.0013808600000000 ]  - [  -0.0002986400000000, -0.0013815700000000, -0.0006731300000000 ]  - [   0.0002368700000000, -0.0006039800000000, -0.0006188600000000 ]  - [  -0.0009044000000000,  0.0020132500000000,  0.0006673700000000 ]  - [  -0.0017496500000000,  0.0019792500000000,  0.0013808600000000 ]  - [  -0.0021282500000000,  0.0013679100000000, -0.0019931100000000 ]  - [  -0.0003976600000000,  0.0006118900000000, -0.0003967300000000 ]  - [  -0.0016656200000000,  0.0000000000000000,  0.0002280100000000 ]  - [  -0.0014120500000000,  0.0000000000000000,  0.0005986900000000 ]  - [  -0.0008774600000000,  0.0000000000000000, -0.0007717600000000 ]  - [  -0.0008730000000000,  0.0000000000000000, -0.0004511700000000 ]  - [   0.0007144600000000,  0.0000000000000000, -0.0004205800000000 ]  - [   0.0007132300000000,  0.0000000000000000, -0.0005321900000000 ]  - [   0.0015981100000000,  0.0000000000000000,  0.0003599400000000 ]  - [   0.0013606600000000,  0.0000000000000000,  0.0005757100000000 ]  - [  -0.0001970100000000,  0.0058765700000000,  0.0021877900000000 ]  - [   0.0000962700000000, -0.0008024400000000,  0.0007881700000000 ]  - [  -0.0021282500000000, -0.0013679100000000, -0.0019931100000000 ]  - [  -0.0003976600000000, -0.0006118900000000, -0.0003967300000000 ]  - [  -0.0001970100000000, -0.0058765700000000,  0.0021877900000000 ]  - [   0.0000962700000000,  0.0008024400000000,  0.0007881700000000 ]  - [  -0.0002986400000000,  0.0013815700000000, -0.0006731300000000 ]  - [   0.0002368700000000,  0.0006039800000000, -0.0006188600000000 ]  - [  -0.0251321200000000,  0.0000000000000000,  0.0195450000000000 ]  - [   0.0038693700000000,  0.0000000000000000, -0.0051095500000000 ]  - [  -0.0316211800000000,  0.0000000000000000, -0.0107878900000000 ]  - [   0.0006873600000000,  0.0000000000000000, -0.0015923900000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000493300000000,  0.0007902500000000,  0.0009052600000000 ]  - [   0.0000059100000000,  0.0006126400000000,  0.0008198900000000 ]  - [  -0.0000005500000000, -0.0000218900000000,  0.0008479300000000 ]  - [   0.0000188200000000, -0.0022389100000000,  0.0008602600000000 ]  - [  -0.0000277500000000, -0.0089032000000000,  0.0009835100000000 ]  - [  -0.0000006000000000,  0.0008903900000000,  0.0008304800000000 ]  - [  -0.0001341000000000,  0.0104900200000000,  0.0010038800000000 ]  - [   0.0000025500000000, -0.0001150600000000,  0.0008236900000000 ]  - [  -0.0000281200000000, -0.0034063100000000, -0.0006702400000000 ]  - [   0.0000126800000000, -0.0002015500000000, -0.0006803200000000 ]  - [   0.0000042500000000, -0.0014439600000000, -0.0006500300000000 ]  - [   0.0000011000000000,  0.0001399500000000, -0.0006635500000000 ]  - [   0.0001143800000000,  0.0258333900000000, -0.0008299600000000 ]  - [  -0.0000002500000000, -0.0000273900000000, -0.0006696900000000 ]  - [  -0.0000438900000000,  0.0168915800000000, -0.0009728600000000 ]  - [  -0.0000059400000000,  0.0002386600000000, -0.0006799900000000 ]  - [   0.0007948700000000, -0.0551228500000000, -0.0003763000000000 ]  - [   0.0007299700000000, -0.0001131800000000, -0.0005301600000000 ]  - [   0.0014650300000000, -0.0010762900000000,  0.0004519300000000 ]  - [   0.0014325600000000,  0.0001197900000000,  0.0004589400000000 ]  - [   0.0001457300000000, -0.0014185300000000,  0.0005323200000000 ]  - [  -0.0031295600000000, -0.0007204900000000,  0.0014704800000000 ]  - [  -0.0035379000000000,  0.0013565300000000, -0.0035315800000000 ]  - [  -0.0002244700000000, -0.0003246800000000, -0.0015769400000000 ]  - [  -0.0001517000000000,  0.0014746000000000,  0.0003610300000000 ]  - [   0.0031092000000000,  0.0021665000000000, -0.0005567000000000 ]  - [   0.0035507300000000,  0.0010032100000000,  0.0007365900000000 ]  - [   0.0002257500000000,  0.0004865300000000, -0.0003746300000000 ]  - [  -0.0014514200000000,  0.0020079900000000,  0.0004150100000000 ]  - [  -0.0014457500000000, -0.0000463000000000,  0.0004477700000000 ]  - [  -0.0007187500000000,  0.0000201200000000, -0.0005297900000000 ]  - [  -0.0007264200000000,  0.0000200800000000, -0.0005353600000000 ]  - [   0.0007207100000000,  0.0002944700000000, -0.0005283400000000 ]  - [   0.0007221500000000,  0.0002943100000000, -0.0005345200000000 ]  - [   0.0014413000000000,  0.0006040600000000,  0.0004146700000000 ]  - [   0.0014466700000000, -0.0000250300000000,  0.0004491500000000 ]  - [  -0.0054082800000000,  0.0088051600000000,  0.0062958300000000 ]  - [  -0.0000816000000000, -0.0015607800000000,  0.0005277500000000 ]  - [  -0.0035995100000000, -0.0004301100000000, -0.0018763400000000 ]  - [  -0.0002267000000000, -0.0009623700000000, -0.0006898400000000 ]  - [   0.0055025300000000,  0.0115876400000000, -0.0055627700000000 ]  - [   0.0000802100000000,  0.0013415200000000,  0.0003811800000000 ]  - [   0.0036135100000000,  0.0029183000000000,  0.0025160000000000 ]  - [   0.0002279100000000,  0.0011264000000000,  0.0005189900000000 ]  - [  -0.0015327100000000,  0.0007746700000000,  0.0005163700000000 ]  - [  -0.0014437500000000, -0.0045837400000000,  0.0004955200000000 ]  - [  -0.0007712500000000, -0.0095885200000000, -0.0005101200000000 ]  - [  -0.0007268600000000,  0.0000423600000000, -0.0005344300000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0045314600000000,  0.0000000000000000,  0.0037695000000000 ]  - [  -0.0085827000000000,  0.0000000000000000, -0.0011212500000000 ]  - [   0.0000431900000000,  0.0000000000000000, -0.0004591300000000 ]  - [   0.0007950500000000,  0.0000000000000000,  0.0020705800000000 ]  - [  -0.0012643600000000,  0.0000000000000000,  0.0128276900000000 ]  - [   0.0000209800000000,  0.0000000000000000, -0.0029887000000000 ]  - [  -0.0686123000000000,  0.0000000000000000,  0.0769274500000000 ]  - [   0.0058359400000000,  0.0000000000000000, -0.0074342500000000 ]  - [  -0.0023651200000000,  0.0000000000000000, -0.0020874600000000 ]  - [   0.0000741400000000,  0.0000000000000000, -0.0007980600000000 ]  - [   0.0009933100000000,  0.0000000000000000, -0.0012487900000000 ]  - [   0.0000042800000000,  0.0000000000000000, -0.0010133500000000 ]  - [   0.0006853300000000,  0.0000000000000000,  0.0443539200000000 ]  - [  -0.0000505500000000,  0.0000000000000000, -0.0012160200000000 ]  - [  -0.0032156300000000,  0.0000000000000000,  0.0468951300000000 ]  - [   0.0010541500000000,  0.0000000000000000, -0.0020467900000000 ]  - [   0.0776573500000000,  0.0000000000000000, -0.1813429000000000 ]  - [   0.0003555500000000,  0.0000000000000000,  0.0010721300000000 ]  - [   0.0012039200000000,  0.0000000000000000,  0.0116101000000000 ]  - [   0.0092570700000000,  0.0000000000000000, -0.0005601000000000 ]  - [  -0.0004319300000000, -0.0019802400000000,  0.0013459000000000 ]  - [  -0.0035699400000000, -0.0003959100000000,  0.0009754400000000 ]  - [   0.0013144800000000, -0.0021906900000000, -0.0012267300000000 ]  - [   0.0001575800000000, -0.0005793300000000,  0.0003438400000000 ]  - [  -0.0004319300000000,  0.0019802400000000,  0.0013459000000000 ]  - [  -0.0035699400000000,  0.0003959100000000,  0.0009754400000000 ]  - [   0.0030035900000000,  0.0008145300000000, -0.0012429600000000 ]  - [   0.0010449400000000,  0.0007894900000000,  0.0003521500000000 ]  - [  -0.0007478000000000,  0.0000000000000000, -0.0013238600000000 ]  - [  -0.0011841200000000,  0.0000000000000000,  0.0012975000000000 ]  - [  -0.0006364700000000,  0.0000000000000000, -0.0003396000000000 ]  - [  -0.0009573800000000,  0.0000000000000000, -0.0003368000000000 ]  - [   0.0007145200000000,  0.0000000000000000, -0.0002818500000000 ]  - [   0.0006054400000000,  0.0000000000000000, -0.0002763200000000 ]  - [  -0.0000138900000000,  0.0000000000000000, -0.0013540500000000 ]  - [   0.0011567800000000,  0.0000000000000000,  0.0012295200000000 ]  - [  -0.0029927600000000,  0.0110045200000000, -0.0005126000000000 ]  - [  -0.0002866500000000, -0.0022826600000000,  0.0017261400000000 ]  - [   0.0030035900000000, -0.0008145300000000, -0.0012429600000000 ]  - [   0.0010449400000000, -0.0007894900000000,  0.0003521500000000 ]  - [  -0.0029927600000000, -0.0110045200000000, -0.0005126000000000 ]  - [  -0.0002866500000000,  0.0022826600000000,  0.0017261400000000 ]  - [   0.0013144800000000,  0.0021906900000000, -0.0012267300000000 ]  - [   0.0001575800000000,  0.0005793300000000,  0.0003438400000000 ]  - [  -0.0139590800000000,  0.0000000000000000,  0.0190432900000000 ]  - [   0.0129025900000000,  0.0000000000000000,  0.0096169200000000 ]  - [  -0.0109981000000000,  0.0000000000000000, -0.0291318700000000 ]  - [  -0.0017821800000000,  0.0000000000000000,  0.0011251000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0045128100000000,  0.0000000000000000, -0.0020717100000000 ]  - [   0.0085720300000000,  0.0000000000000000,  0.0028302600000000 ]  - [  -0.0000459900000000,  0.0000000000000000,  0.0022109500000000 ]  - [  -0.0007976800000000,  0.0000000000000000, -0.0003738300000000 ]  - [   0.0012865200000000,  0.0000000000000000, -0.0112533800000000 ]  - [  -0.0000208200000000,  0.0000000000000000,  0.0047746900000000 ]  - [   0.0720779200000000,  0.0000000000000000, -0.0777307000000000 ]  - [  -0.0058492100000000,  0.0000000000000000,  0.0092541600000000 ]  - [   0.0023555100000000,  0.0000000000000000,  0.0007434400000000 ]  - [  -0.0000941500000000,  0.0000000000000000, -0.0005600100000000 ]  - [  -0.0010033700000000,  0.0000000000000000, -0.0001167100000000 ]  - [  -0.0000067300000000,  0.0000000000000000, -0.0003372900000000 ]  - [  -0.0007470100000000,  0.0000000000000000, -0.0456989000000000 ]  - [   0.0000526800000000,  0.0000000000000000, -0.0001356900000000 ]  - [   0.0051142800000000,  0.0000000000000000, -0.0455417600000000 ]  - [  -0.0010992100000000,  0.0000000000000000,  0.0007441700000000 ]  - [  -0.0816363800000000,  0.0000000000000000,  0.1803353000000000 ]  - [   0.0010823900000000,  0.0000000000000000, -0.0021543300000000 ]  - [   0.0016849800000000,  0.0000000000000000, -0.0110886900000000 ]  - [  -0.0063067800000000,  0.0000000000000000,  0.0014504900000000 ]  - [   0.0004291100000000, -0.0009049500000000, -0.0004761900000000 ]  - [   0.0035139600000000, -0.0024591600000000, -0.0000640900000000 ]  - [  -0.0012985300000000,  0.0007800200000000,  0.0001950800000000 ]  - [  -0.0001577500000000, -0.0008603500000000, -0.0014252400000000 ]  - [   0.0004291100000000,  0.0009049500000000, -0.0004761900000000 ]  - [   0.0035139600000000,  0.0024591600000000, -0.0000640900000000 ]  - [  -0.0030428400000000,  0.0005530500000000,  0.0001795100000000 ]  - [  -0.0010515000000000,  0.0006314600000000, -0.0014149900000000 ]  - [  -0.0021521700000000,  0.0000000000000000,  0.0022212500000000 ]  - [  -0.0017131700000000,  0.0000000000000000, -0.0004322000000000 ]  - [  -0.0008018900000000,  0.0000000000000000, -0.0007311000000000 ]  - [  -0.0004744800000000,  0.0000000000000000, -0.0007246800000000 ]  - [   0.0007254700000000,  0.0000000000000000, -0.0007928100000000 ]  - [   0.0008262800000000,  0.0000000000000000, -0.0007839600000000 ]  - [   0.0029064500000000,  0.0000000000000000,  0.0022586100000000 ]  - [   0.0017393200000000,  0.0000000000000000, -0.0003615200000000 ]  - [   0.0030012300000000, -0.0140052100000000,  0.0014734600000000 ]  - [   0.0002878700000000, -0.0006150000000000, -0.0008654900000000 ]  - [  -0.0030428400000000, -0.0005530500000000,  0.0001795100000000 ]  - [  -0.0010515000000000, -0.0006314600000000, -0.0014149900000000 ]  - [   0.0030012300000000,  0.0140052100000000,  0.0014734600000000 ]  - [   0.0002878700000000,  0.0006150000000000, -0.0008654900000000 ]  - [  -0.0012985300000000, -0.0007800200000000,  0.0001950800000000 ]  - [  -0.0001577500000000,  0.0008603500000000, -0.0014252400000000 ]  - [   0.0111463500000000,  0.0000000000000000, -0.0183910200000000 ]  - [  -0.0156454300000000,  0.0000000000000000, -0.0087927900000000 ]  - [   0.0096018600000000,  0.0000000000000000,  0.0282751400000000 ]  - [   0.0003721100000000,  0.0000000000000000, -0.0022294700000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0286621800000000,  0.0000000000000000, -0.0042924000000000 ]  - [  -0.0001788300000000,  0.0000000000000000,  0.0022551900000000 ]  - [  -0.0005039000000000,  0.0000000000000000, -0.0022376500000000 ]  - [  -0.0004258200000000,  0.0000000000000000,  0.0016474800000000 ]  - [   0.0006299300000000,  0.0000000000000000, -0.0054446500000000 ]  - [   0.0001732200000000,  0.0000000000000000, -0.0000875800000000 ]  - [   0.0018584900000000,  0.0000000000000000,  0.0426971000000000 ]  - [   0.0079163700000000,  0.0000000000000000,  0.0071196000000000 ]  - [  -0.0024820700000000,  0.0000000000000000,  0.0019650800000000 ]  - [  -0.0001678400000000,  0.0000000000000000, -0.0005064700000000 ]  - [   0.0002585400000000,  0.0000000000000000, -0.0009624500000000 ]  - [   0.0000052600000000,  0.0000000000000000, -0.0011186800000000 ]  - [  -0.0035087100000000,  0.0000000000000000,  0.0064543400000000 ]  - [   0.0017104600000000,  0.0000000000000000, -0.0096102000000000 ]  - [   0.0022443400000000,  0.0000000000000000, -0.0015035000000000 ]  - [   0.0578739100000000,  0.0000000000000000, -0.0456007200000000 ]  - [   0.0011090100000000,  0.0000000000000000, -0.0007409700000000 ]  - [  -0.0045705900000000,  0.0000000000000000,  0.0072581400000000 ]  - [  -0.2083601500000000,  0.0000000000000000, -0.0015702500000000 ]  - [  -0.0008113200000000,  0.0000000000000000, -0.0001054300000000 ]  - [   0.0088229300000000, -0.0125524700000000,  0.0137297000000000 ]  - [   0.0000399700000000, -0.0028960800000000, -0.0015590100000000 ]  - [   0.0000264800000000, -0.0001552000000000,  0.0000060300000000 ]  - [   0.0007068000000000, -0.0001822700000000, -0.0015465100000000 ]  - [   0.0088229300000000,  0.0125524700000000,  0.0137297000000000 ]  - [   0.0000399700000000,  0.0028960800000000, -0.0015590100000000 ]  - [   0.0101394500000000,  0.0079816500000000, -0.0128776800000000 ]  - [  -0.0001078900000000,  0.0013603100000000,  0.0003013000000000 ]  - [  -0.0039057400000000,  0.0000000000000000,  0.0003670000000000 ]  - [  -0.0038894300000000,  0.0000000000000000,  0.0028079500000000 ]  - [  -0.0004931700000000,  0.0000000000000000, -0.0012263100000000 ]  - [  -0.0007683100000000,  0.0000000000000000, -0.0007928700000000 ]  - [   0.0005731300000000,  0.0000000000000000, -0.0019932500000000 ]  - [   0.0008192400000000,  0.0000000000000000, -0.0008197100000000 ]  - [   0.0044109800000000,  0.0000000000000000,  0.0008984500000000 ]  - [   0.0043955300000000,  0.0000000000000000,  0.0032681700000000 ]  - [   0.0048709100000000, -0.0126842300000000,  0.0072355300000000 ]  - [  -0.0001933100000000, -0.0029025600000000,  0.0009550600000000 ]  - [   0.0101394500000000, -0.0079816500000000, -0.0128776800000000 ]  - [  -0.0001078900000000, -0.0013603100000000,  0.0003013000000000 ]  - [   0.0048709100000000,  0.0126842300000000,  0.0072355300000000 ]  - [  -0.0001933100000000,  0.0029025600000000,  0.0009550600000000 ]  - [   0.0000264800000000,  0.0001552000000000,  0.0000060300000000 ]  - [   0.0007068000000000,  0.0001822700000000, -0.0015465100000000 ]  - [   0.0515193300000000,  0.0000000000000000, -0.0066255100000000 ]  - [  -0.0000748300000000,  0.0000000000000000, -0.0011222100000000 ]  - [   0.0232856000000000,  0.0000000000000000,  0.0119652900000000 ]  - [  -0.0059154800000000,  0.0000000000000000, -0.0148318100000000 ]- atom:   19  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0343610200000000,  0.0000000000000000,  0.0063128900000000 ]  - [   0.0001700700000000,  0.0000000000000000, -0.0006113600000000 ]  - [   0.0004475500000000,  0.0000000000000000,  0.0039645800000000 ]  - [   0.0004267700000000,  0.0000000000000000,  0.0000478800000000 ]  - [  -0.0006280100000000,  0.0000000000000000,  0.0072205600000000 ]  - [  -0.0001660800000000,  0.0000000000000000,  0.0017388600000000 ]  - [  -0.0004806000000000,  0.0000000000000000, -0.0382874700000000 ]  - [  -0.0079132300000000,  0.0000000000000000, -0.0055718400000000 ]  - [   0.0025636100000000,  0.0000000000000000, -0.0033116900000000 ]  - [   0.0001686900000000,  0.0000000000000000, -0.0008820100000000 ]  - [  -0.0003009200000000,  0.0000000000000000, -0.0003516900000000 ]  - [  -0.0000068400000000,  0.0000000000000000, -0.0002374200000000 ]  - [   0.0034677700000000,  0.0000000000000000, -0.0079728100000000 ]  - [  -0.0017357200000000,  0.0000000000000000,  0.0083541400000000 ]  - [  -0.0022800200000000,  0.0000000000000000,  0.0001604800000000 ]  - [  -0.0561152600000000,  0.0000000000000000,  0.0422077400000000 ]  - [   0.0002436000000000,  0.0000000000000000, -0.0002586400000000 ]  - [   0.0058591000000000,  0.0000000000000000, -0.0083131500000000 ]  - [   0.2148747700000000,  0.0000000000000000,  0.0017625100000000 ]  - [   0.0037262000000000,  0.0000000000000000,  0.0010237400000000 ]  - [  -0.0088791800000000,  0.0098861800000000, -0.0131178500000000 ]  - [  -0.0000407900000000,  0.0000238100000000,  0.0024824600000000 ]  - [  -0.0000304100000000, -0.0012848100000000, -0.0010666500000000 ]  - [  -0.0007399300000000, -0.0012439100000000,  0.0005140800000000 ]  - [  -0.0088791800000000, -0.0098861800000000, -0.0131178500000000 ]  - [  -0.0000407900000000, -0.0000238100000000,  0.0024824600000000 ]  - [  -0.0102534300000000, -0.0068104600000000,  0.0121271900000000 ]  - [   0.0001100100000000,  0.0000628500000000, -0.0013654900000000 ]  - [   0.0010216100000000,  0.0000000000000000,  0.0005105900000000 ]  - [   0.0010373500000000,  0.0000000000000000, -0.0019480800000000 ]  - [  -0.0009129000000000,  0.0000000000000000,  0.0001823300000000 ]  - [  -0.0006728600000000,  0.0000000000000000, -0.0002613400000000 ]  - [   0.0008490000000000,  0.0000000000000000,  0.0009307600000000 ]  - [   0.0006198100000000,  0.0000000000000000, -0.0002349800000000 ]  - [  -0.0015298200000000,  0.0000000000000000, -0.0000282800000000 ]  - [  -0.0015447900000000,  0.0000000000000000, -0.0024065700000000 ]  - [  -0.0049549800000000,  0.0097458900000000, -0.0063758200000000 ]  - [   0.0001923000000000,  0.0000150100000000, -0.0000396100000000 ]  - [  -0.0102534300000000,  0.0068104600000000,  0.0121271900000000 ]  - [   0.0001100100000000, -0.0000628500000000, -0.0013654900000000 ]  - [  -0.0049549800000000, -0.0097458900000000, -0.0063758200000000 ]  - [   0.0001923000000000, -0.0000150100000000, -0.0000396100000000 ]  - [  -0.0000304100000000,  0.0012848100000000, -0.0010666500000000 ]  - [  -0.0007399300000000,  0.0012439100000000,  0.0005140800000000 ]  - [  -0.0546290700000000,  0.0000000000000000,  0.0073120400000000 ]  - [  -0.0028091400000000,  0.0000000000000000,  0.0020522900000000 ]  - [  -0.0246557200000000,  0.0000000000000000, -0.0131313900000000 ]  - [   0.0044589000000000,  0.0000000000000000,  0.0137107100000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002461200000000,  0.0124136000000000,  0.0008359800000000 ]  - [  -0.0000018200000000, -0.0003899400000000,  0.0008773200000000 ]  - [   0.0000096400000000, -0.0087404000000000,  0.0008593600000000 ]  - [  -0.0000001000000000,  0.0001384700000000,  0.0008572000000000 ]  - [  -0.0000023900000000, -0.0063649700000000,  0.0008432500000000 ]  - [  -0.0000008300000000, -0.0011801300000000,  0.0008833100000000 ]  - [  -0.0001374300000000,  0.0067475200000000,  0.0006043100000000 ]  - [  -0.0000003800000000, -0.0002927800000000,  0.0008747200000000 ]  - [  -0.0000108100000000, -0.0064672200000000, -0.0006607200000000 ]  - [   0.0000002200000000,  0.0000604600000000, -0.0006657900000000 ]  - [   0.0000106000000000, -0.0034437600000000, -0.0006680000000000 ]  - [   0.0000001100000000,  0.0001049000000000, -0.0006519000000000 ]  - [   0.0000107300000000,  0.0032222200000000, -0.0006718900000000 ]  - [  -0.0000125700000000,  0.0002082500000000, -0.0006766000000000 ]  - [  -0.0000119500000000, -0.0002425400000000, -0.0006518300000000 ]  - [  -0.0001585800000000,  0.0204910300000000, -0.0004330700000000 ]  - [   0.0007205900000000, -0.0010761300000000, -0.0005313400000000 ]  - [   0.0007232100000000,  0.0001195400000000, -0.0005454700000000 ]  - [   0.0014378200000000, -0.0489405300000000,  0.0005552000000000 ]  - [   0.0014514800000000, -0.0000634500000000,  0.0004318300000000 ]  - [  -0.0059887700000000,  0.0034557700000000, -0.0040238000000000 ]  - [  -0.0000482000000000, -0.0016491900000000,  0.0002188500000000 ]  - [   0.0001492300000000,  0.0001903200000000, -0.0001060100000000 ]  - [  -0.0030889700000000,  0.0010025500000000,  0.0029738200000000 ]  - [   0.0059335200000000,  0.0063689300000000,  0.0048780500000000 ]  - [   0.0000480300000000,  0.0012627700000000,  0.0006437800000000 ]  - [   0.0054465400000000,  0.0008836300000000, -0.0035267200000000 ]  - [   0.0000819800000000,  0.0006320400000000, -0.0008293500000000 ]  - [  -0.0014542200000000,  0.0004451000000000,  0.0004351700000000 ]  - [  -0.0014547100000000,  0.0004450800000000,  0.0004376100000000 ]  - [  -0.0007260100000000,  0.0020076700000000, -0.0005355200000000 ]  - [  -0.0007224500000000, -0.0000465300000000, -0.0005389600000000 ]  - [   0.0007191400000000,  0.0006041700000000, -0.0005331300000000 ]  - [   0.0007223100000000, -0.0000252400000000, -0.0005393800000000 ]  - [   0.0014553600000000,  0.0008281700000000,  0.0004386400000000 ]  - [   0.0014508700000000,  0.0008281800000000,  0.0004362700000000 ]  - [  -0.0059178100000000,  0.0073591300000000, -0.0074290700000000 ]  - [  -0.0000479400000000, -0.0014070700000000,  0.0002890000000000 ]  - [  -0.0054643900000000, -0.0005703800000000,  0.0024673000000000 ]  - [  -0.0000796600000000, -0.0008264400000000, -0.0002545000000000 ]  - [   0.0060051100000000,  0.0103425200000000,  0.0083982700000000 ]  - [   0.0000483300000000,  0.0014864400000000,  0.0005804400000000 ]  - [  -0.0001479800000000,  0.0016249300000000, -0.0009669600000000 ]  - [   0.0031504300000000,  0.0025134200000000, -0.0041104500000000 ]  - [  -0.0013985100000000, -0.0003678400000000,  0.0004534900000000 ]  - [  -0.0014471200000000,  0.0001179500000000,  0.0004335700000000 ]  - [  -0.0008034200000000,  0.0007736500000000, -0.0005901100000000 ]  - [  -0.0006943700000000, -0.0045838600000000, -0.0005661600000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0211377000000000,  0.0000000000000000,  0.0197654100000000 ]  - [  -0.0000114200000000,  0.0000000000000000, -0.0069845900000000 ]  - [   0.0000436300000000,  0.0000000000000000,  0.0035105900000000 ]  - [  -0.0002829100000000,  0.0000000000000000, -0.0030844200000000 ]  - [   0.0005823400000000,  0.0000000000000000, -0.0058005400000000 ]  - [  -0.0008065400000000,  0.0000000000000000,  0.0000681200000000 ]  - [   0.0183261000000000,  0.0000000000000000,  0.0405949300000000 ]  - [  -0.0062005600000000,  0.0000000000000000, -0.0135901900000000 ]  - [   0.0002399200000000,  0.0000000000000000,  0.0032729800000000 ]  - [   0.0002476500000000,  0.0000000000000000, -0.0020077600000000 ]  - [  -0.0005672500000000,  0.0000000000000000,  0.0002124700000000 ]  - [   0.0001444100000000,  0.0000000000000000, -0.0009813800000000 ]  - [  -0.0015054400000000,  0.0000000000000000, -0.0002141100000000 ]  - [  -0.0001521900000000,  0.0000000000000000,  0.0017689700000000 ]  - [  -0.0010273000000000,  0.0000000000000000, -0.0016326700000000 ]  - [  -0.0195965900000000,  0.0000000000000000,  0.0576424700000000 ]  - [   0.0079420400000000,  0.0000000000000000,  0.0109953300000000 ]  - [  -0.0042715600000000,  0.0000000000000000, -0.0015529500000000 ]  - [  -0.0030637700000000,  0.0000000000000000, -0.1575108200000000 ]  - [   0.0008714100000000,  0.0000000000000000,  0.0053422500000000 ]  - [   0.0078631800000000, -0.0082011600000000,  0.0033985100000000 ]  - [   0.0001450000000000, -0.0019484700000000,  0.0022659600000000 ]  - [  -0.0000866500000000, -0.0005084600000000,  0.0003759800000000 ]  - [  -0.0010154400000000,  0.0002544500000000, -0.0000047500000000 ]  - [   0.0078631800000000,  0.0082011600000000,  0.0033985100000000 ]  - [   0.0001450000000000,  0.0019484700000000,  0.0022659600000000 ]  - [  -0.0059355200000000, -0.0010495100000000, -0.0015370700000000 ]  - [  -0.0000709200000000,  0.0003622800000000,  0.0007678600000000 ]  - [  -0.0038382100000000,  0.0000000000000000,  0.0011728900000000 ]  - [  -0.0013654500000000,  0.0000000000000000,  0.0011778200000000 ]  - [  -0.0009303700000000,  0.0000000000000000, -0.0023019300000000 ]  - [  -0.0005555300000000,  0.0000000000000000,  0.0003345800000000 ]  - [   0.0008077700000000,  0.0000000000000000, -0.0023389200000000 ]  - [   0.0005803600000000,  0.0000000000000000,  0.0002653600000000 ]  - [   0.0042997100000000,  0.0000000000000000,  0.0015884400000000 ]  - [   0.0018970900000000,  0.0000000000000000,  0.0015885300000000 ]  - [   0.0044745600000000, -0.0149424900000000,  0.0034031600000000 ]  - [   0.0002117000000000,  0.0005696800000000,  0.0022810800000000 ]  - [  -0.0059355200000000,  0.0010495100000000, -0.0015370700000000 ]  - [  -0.0000709200000000, -0.0003622800000000,  0.0007678600000000 ]  - [   0.0044745600000000,  0.0149424900000000,  0.0034031600000000 ]  - [   0.0002117000000000, -0.0005696800000000,  0.0022810800000000 ]  - [  -0.0000866500000000,  0.0005084600000000,  0.0003759800000000 ]  - [  -0.0010154400000000, -0.0002544500000000, -0.0000047500000000 ]  - [   0.0057089700000000,  0.0000000000000000, -0.0057706900000000 ]  - [   0.0001584900000000,  0.0000000000000000,  0.0055042700000000 ]  - [   0.0185924100000000,  0.0000000000000000,  0.0183849200000000 ]  - [  -0.0063013100000000,  0.0000000000000000,  0.0086791900000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0214975500000000,  0.0000000000000000, -0.0182557600000000 ]  - [   0.0000067000000000,  0.0000000000000000,  0.0086685800000000 ]  - [  -0.0000752300000000,  0.0000000000000000, -0.0018049900000000 ]  - [   0.0002790200000000,  0.0000000000000000,  0.0047869400000000 ]  - [  -0.0005759500000000,  0.0000000000000000,  0.0075080400000000 ]  - [   0.0008220900000000,  0.0000000000000000,  0.0015782700000000 ]  - [  -0.0159807600000000,  0.0000000000000000, -0.0369313100000000 ]  - [   0.0061896600000000,  0.0000000000000000,  0.0151305600000000 ]  - [  -0.0002346600000000,  0.0000000000000000, -0.0045970600000000 ]  - [  -0.0002493500000000,  0.0000000000000000,  0.0006337600000000 ]  - [   0.0005512600000000,  0.0000000000000000, -0.0015560400000000 ]  - [  -0.0001460600000000,  0.0000000000000000, -0.0003873200000000 ]  - [   0.0015095000000000,  0.0000000000000000, -0.0011268500000000 ]  - [   0.0000853900000000,  0.0000000000000000, -0.0031265900000000 ]  - [   0.0009966800000000,  0.0000000000000000,  0.0003105200000000 ]  - [   0.0217998000000000,  0.0000000000000000, -0.0615972200000000 ]  - [  -0.0064020100000000,  0.0000000000000000, -0.0117089100000000 ]  - [   0.0058142200000000,  0.0000000000000000,  0.0004599300000000 ]  - [   0.0002753600000000,  0.0000000000000000,  0.1587221300000000 ]  - [   0.0019979400000000,  0.0000000000000000, -0.0044060200000000 ]  - [  -0.0079633400000000,  0.0054192100000000, -0.0025462800000000 ]  - [  -0.0001452000000000, -0.0009514300000000, -0.0013825600000000 ]  - [   0.0000855400000000, -0.0009338100000000, -0.0014433700000000 ]  - [   0.0010127400000000, -0.0016800500000000, -0.0010421100000000 ]  - [  -0.0079633400000000, -0.0054192100000000, -0.0025462800000000 ]  - [  -0.0001452000000000,  0.0009514300000000, -0.0013825600000000 ]  - [   0.0059231200000000,  0.0024120100000000,  0.0004533400000000 ]  - [   0.0000765200000000,  0.0010695800000000, -0.0018221800000000 ]  - [   0.0009200000000000,  0.0000000000000000, -0.0002972900000000 ]  - [  -0.0015098600000000,  0.0000000000000000, -0.0002947400000000 ]  - [  -0.0004888600000000,  0.0000000000000000,  0.0012483800000000 ]  - [  -0.0008861600000000,  0.0000000000000000, -0.0013940700000000 ]  - [   0.0006228400000000,  0.0000000000000000,  0.0012790900000000 ]  - [   0.0008614600000000,  0.0000000000000000, -0.0013246200000000 ]  - [  -0.0013774000000000,  0.0000000000000000, -0.0007069600000000 ]  - [   0.0009708500000000,  0.0000000000000000, -0.0007092500000000 ]  - [  -0.0044266900000000,  0.0119134400000000, -0.0025382700000000 ]  - [  -0.0002118500000000, -0.0034616300000000, -0.0013651600000000 ]  - [   0.0059231200000000, -0.0024120100000000,  0.0004533400000000 ]  - [   0.0000765200000000, -0.0010695800000000, -0.0018221800000000 ]  - [  -0.0044266900000000, -0.0119134400000000, -0.0025382700000000 ]  - [  -0.0002118500000000,  0.0034616300000000, -0.0013651600000000 ]  - [   0.0000855400000000,  0.0009338100000000, -0.0014433700000000 ]  - [   0.0010127400000000,  0.0016800500000000, -0.0010421100000000 ]  - [  -0.0082301500000000,  0.0000000000000000,  0.0066120900000000 ]  - [  -0.0030131500000000,  0.0000000000000000, -0.0045586800000000 ]  - [  -0.0198338900000000,  0.0000000000000000, -0.0190555800000000 ]  - [   0.0051015000000000,  0.0000000000000000, -0.0097258200000000 ]