# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7a6af5ef-9238-406f-8c99-c8e9f04a59f4/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 Cu2PbO2 / C2/c (15) / materials id 29396](https://mdr.nims.go.jp/datasets/d089721e-e099-46e4-8e2c-1c35bc6fb090)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.023706455000000,    -4.057748525000000,     0.054641475000000 ] # a  - [     4.023706455000000,     4.057748525000000,     0.054641475000000 ] # b  - [    -3.950499100000000,     0.000000000000000,     4.351685750000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.854439220000000,  0.720530320000000,  0.213811340000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.279469680000000,  0.145560780000000,  0.286188660000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.145560780000000,  0.279469680000000,  0.786188660000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.720530320000000,  0.854439220000000,  0.713811340000000 ]    mass: 15.999400  - symbol: Cu # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000  - symbol: Cu # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000  - symbol: Cu # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000  - symbol: Pb # 9    coordinates: [  0.863133090000000,  0.136866910000000,  0.250000000000000 ]    mass: 207.200000  - symbol: Pb # 10    coordinates: [  0.136866910000000,  0.863133090000000,  0.750000000000000 ]    mass: 207.200000  reciprocal_lattice: # without 2pi  - [     0.122750279736181,    -0.123221041648952,     0.111433797723682 ] # a*  - [     0.122750279736181,     0.123221041648952,     0.111433797723682 ] # b*  - [    -0.003082601422425,     0.000000000000000,     0.226997591876907 ] # c*unit_cell:  lattice:  - [     8.047412910000000,     0.000000000000000,     0.109282950000000 ] # a  - [     0.000000000000000,     8.115497050000000,     0.000000000000000 ] # b  - [    -3.950499100000000,     0.000000000000000,     4.351685750000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.787484770000000,  0.933045550000000,  0.213811340000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.712515230000000,  0.433045550000000,  0.286188660000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.712515230000000,  0.566954450000000,  0.786188660000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.787484770000000,  0.066954450000000,  0.713811340000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.287484770000000,  0.433045550000000,  0.213811340000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.212515230000000,  0.933045550000000,  0.286188660000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 7    coordinates: [  0.212515230000000,  0.066954450000000,  0.786188660000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 8    coordinates: [  0.287484770000000,  0.566954450000000,  0.713811340000000 ]    mass: 15.999400    reduced_to: 4  - symbol: Cu # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 9  - symbol: Cu # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 10  - symbol: Cu # 11    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 11  - symbol: Cu # 12    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 12  - symbol: Cu # 13    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 9  - symbol: Cu # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 10  - symbol: Cu # 15    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 11  - symbol: Cu # 16    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 12  - symbol: Pb # 17    coordinates: [  0.500000000000000,  0.636866910000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 17  - symbol: Pb # 18    coordinates: [  0.000000000000000,  0.863133090000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 18  - symbol: Pb # 19    coordinates: [  0.000000000000000,  0.136866910000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 17  - symbol: Pb # 20    coordinates: [  0.500000000000000,  0.363133090000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 18supercell:  lattice:  - [    16.094825820000001,     0.000000000000000,     0.218565900000000 ] # a  - [     0.000000000000000,     8.115497050000000,     0.000000000000000 ] # b  - [    -7.900998200000000,     0.000000000000000,     8.703371499999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.393742385000000,  0.933045550000000,  0.106905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.893742385000000,  0.933045550000000,  0.106905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.393742385000000,  0.933045550000000,  0.606905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.893742385000000,  0.933045550000000,  0.606905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.356257615000000,  0.433045550000000,  0.143094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.856257615000000,  0.433045550000000,  0.143094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.356257615000000,  0.433045550000000,  0.643094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.856257615000000,  0.433045550000000,  0.643094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.356257615000000,  0.566954450000000,  0.393094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.856257615000000,  0.566954450000000,  0.393094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.356257615000000,  0.566954450000000,  0.893094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.856257615000000,  0.566954450000000,  0.893094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.393742385000000,  0.066954450000000,  0.356905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.893742385000000,  0.066954450000000,  0.356905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.393742385000000,  0.066954450000000,  0.856905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.893742385000000,  0.066954450000000,  0.856905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.143742385000000,  0.433045550000000,  0.106905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.643742385000000,  0.433045550000000,  0.106905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.143742385000000,  0.433045550000000,  0.606905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.643742385000000,  0.433045550000000,  0.606905670000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.106257615000000,  0.933045550000000,  0.143094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.606257615000000,  0.933045550000000,  0.143094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 23    coordinates: [  0.106257615000000,  0.933045550000000,  0.643094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 24    coordinates: [  0.606257615000000,  0.933045550000000,  0.643094330000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 25    coordinates: [  0.106257615000000,  0.066954450000000,  0.393094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 26    coordinates: [  0.606257615000000,  0.066954450000000,  0.393094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 27    coordinates: [  0.106257615000000,  0.066954450000000,  0.893094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 28    coordinates: [  0.606257615000000,  0.066954450000000,  0.893094330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 29    coordinates: [  0.143742385000000,  0.566954450000000,  0.356905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 30    coordinates: [  0.643742385000000,  0.566954450000000,  0.356905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 31    coordinates: [  0.143742385000000,  0.566954450000000,  0.856905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 32    coordinates: [  0.643742385000000,  0.566954450000000,  0.856905670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: Cu # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 34    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 35    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 37    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 39    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 41    coordinates: [  0.375000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 42    coordinates: [  0.875000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 43    coordinates: [  0.375000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 44    coordinates: [  0.875000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 45    coordinates: [  0.125000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 46    coordinates: [  0.625000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 47    coordinates: [  0.125000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 48    coordinates: [  0.625000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 49    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 50    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 51    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 52    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 33  - symbol: Cu # 53    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 54    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 55    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 56    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 37  - symbol: Cu # 57    coordinates: [  0.125000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 58    coordinates: [  0.625000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 59    coordinates: [  0.125000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 60    coordinates: [  0.625000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 63.546000    reduced_to: 41  - symbol: Cu # 61    coordinates: [  0.375000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 62    coordinates: [  0.875000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 63    coordinates: [  0.375000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Cu # 64    coordinates: [  0.875000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 63.546000    reduced_to: 45  - symbol: Pb # 65    coordinates: [  0.250000000000000,  0.636866910000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 66    coordinates: [  0.750000000000000,  0.636866910000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 67    coordinates: [  0.250000000000000,  0.636866910000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 68    coordinates: [  0.750000000000000,  0.636866910000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 69    coordinates: [  0.000000000000000,  0.863133090000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 70    coordinates: [  0.500000000000000,  0.863133090000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 71    coordinates: [  0.000000000000000,  0.863133090000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 72    coordinates: [  0.500000000000000,  0.863133090000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 73    coordinates: [  0.000000000000000,  0.136866910000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 74    coordinates: [  0.500000000000000,  0.136866910000000,  0.125000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 75    coordinates: [  0.000000000000000,  0.136866910000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 76    coordinates: [  0.500000000000000,  0.136866910000000,  0.625000000000000 ]    mass: 207.200000    reduced_to: 65  - symbol: Pb # 77    coordinates: [  0.250000000000000,  0.363133090000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 78    coordinates: [  0.750000000000000,  0.363133090000000,  0.375000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 79    coordinates: [  0.250000000000000,  0.363133090000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 69  - symbol: Pb # 80    coordinates: [  0.750000000000000,  0.363133090000000,  0.875000000000000 ]    mass: 207.200000    reduced_to: 69born_effective_charge:- # 1 (O)  - [ -2.123798580000000, -0.683806860000000,  0.014706890000000 ]  - [ -0.707633870000000, -2.425281160000000,  0.101098540000000 ]  - [  0.026108410000000,  0.058680790000000, -2.464104120000000 ]- # 2 (O)  - [ -2.123798580000000,  0.683806860000000,  0.014706890000000 ]  - [  0.707633870000000, -2.425281160000000, -0.101098540000000 ]  - [  0.026108410000000, -0.058680790000000, -2.464104120000000 ]- # 3 (O)  - [ -2.123798580000000, -0.683806860000000,  0.014706890000000 ]  - [ -0.707633870000000, -2.425281160000000,  0.101098540000000 ]  - [  0.026108410000000,  0.058680790000000, -2.464104120000000 ]- # 4 (O)  - [ -2.123798580000000,  0.683806860000000,  0.014706890000000 ]  - [  0.707633870000000, -2.425281160000000, -0.101098540000000 ]  - [  0.026108410000000, -0.058680790000000, -2.464104120000000 ]- # 5 (Cu)  - [  1.017214570000000,  0.414931280000000,  0.409721540000000 ]  - [  0.504942500000000,  0.141571750000000,  0.040155940000000 ]  - [  0.501003250000000,  0.134318080000000,  0.876050610000000 ]- # 6 (Cu)  - [  1.017214570000000, -0.414931280000000,  0.409721540000000 ]  - [ -0.504942500000000,  0.141571750000000, -0.040155940000000 ]  - [  0.501003250000000, -0.134318080000000,  0.876050610000000 ]- # 7 (Cu)  - [  0.103770800000000, -0.266388550000000,  0.112552010000000 ]  - [ -0.402450810000000,  1.195387180000000,  0.496880650000000 ]  - [ -0.025605080000000,  0.440096500000000,  0.544826450000000 ]- # 8 (Cu)  - [  0.103770800000000,  0.266388550000000,  0.112552010000000 ]  - [  0.402450810000000,  1.195387180000000, -0.496880650000000 ]  - [ -0.025605080000000, -0.440096500000000,  0.544826450000000 ]- # 9 (Pb)  - [  3.126611790000000, -0.000000000000000, -0.551687330000000 ]  - [  0.000000000000000,  3.513603400000000,  0.000000000000000 ]  - [ -0.527614980000000, -0.000000000000000,  3.507331180000000 ]- # 10 (Pb)  - [  3.126611790000000, -0.000000000000000, -0.551687330000000 ]  - [  0.000000000000000,  3.513603400000000,  0.000000000000000 ]  - [ -0.527614980000000, -0.000000000000000,  3.507331180000000 ]dielectric_constant:  - [  9.770782080000000,  0.000000000000000, -0.200356360000000 ]  - [  0.000000000000000, 10.667604930000000,  0.000000000000000 ]  - [ -0.200356030000000,  0.000000000000000,  9.407834120000000 ]displacements:- atom:    1  displacement:    [   0.0099990780609911,  0.0000000000000000,  0.0001357863402818 ]  forces:  - [  -0.1240793700000000,  0.0312911800000000, -0.0278426800000000 ]  - [   0.0007425100000000, -0.0003431600000000,  0.0009767500000000 ]  - [   0.0004875200000000, -0.0003483200000000, -0.0003313600000000 ]  - [   0.0005091500000000, -0.0005564200000000,  0.0015824100000000 ]  - [  -0.0017871500000000, -0.0001764600000000, -0.0009284300000000 ]  - [   0.0003923400000000, -0.0007001100000000, -0.0007037100000000 ]  - [  -0.0004573500000000, -0.0003775900000000, -0.0014971400000000 ]  - [  -0.0003889100000000, -0.0000721100000000,  0.0001178300000000 ]  - [  -0.0003510300000000,  0.0004726100000000, -0.0019663400000000 ]  - [   0.0006573600000000,  0.0009362100000000, -0.0003586100000000 ]  - [  -0.0054800500000000, -0.0018005300000000, -0.0023293700000000 ]  - [   0.0002399400000000,  0.0007062800000000, -0.0005432700000000 ]  - [   0.0012588800000000,  0.0006084500000000, -0.0034453800000000 ]  - [   0.0004526400000000,  0.0005443300000000,  0.0014996100000000 ]  - [   0.0012682400000000,  0.0024398400000000, -0.0017116800000000 ]  - [   0.0004583900000000,  0.0003612700000000,  0.0010111400000000 ]  - [   0.0014170300000000,  0.0007514300000000,  0.0009330900000000 ]  - [   0.0014364800000000,  0.0003949700000000,  0.0009869200000000 ]  - [   0.0000605000000000, -0.0004240500000000,  0.0009087900000000 ]  - [   0.0000641500000000, -0.0003947700000000,  0.0006358900000000 ]  - [   0.0003321700000000, -0.0005799600000000, -0.0005622900000000 ]  - [   0.0041354800000000,  0.0008628200000000,  0.0002052400000000 ]  - [  -0.0002367000000000, -0.0005871800000000,  0.0000724900000000 ]  - [   0.0004180800000000, -0.0012881400000000, -0.0022069500000000 ]  - [   0.0001463600000000,  0.0005467700000000, -0.0008320400000000 ]  - [  -0.0008383000000000,  0.0012182800000000,  0.0022942900000000 ]  - [   0.0000687400000000, -0.0008878700000000,  0.0022087500000000 ]  - [   0.0006914600000000,  0.0007903700000000, -0.0019786800000000 ]  - [   0.0006367300000000,  0.0002577600000000,  0.0006247100000000 ]  - [  -0.0003075800000000,  0.0006175900000000,  0.0015065000000000 ]  - [  -0.0003006300000000,  0.0006969100000000,  0.0013918800000000 ]  - [   0.0006374500000000,  0.0005875700000000,  0.0004843200000000 ]  - [  -0.0001658400000000, -0.0000791900000000, -0.0001186100000000 ]  - [  -0.0000004300000000,  0.0001087100000000,  0.0005346600000000 ]  - [  -0.0001718900000000, -0.0001555500000000, -0.0002001500000000 ]  - [  -0.0000687400000000, -0.0000759400000000,  0.0002341500000000 ]  - [  -0.0004091800000000,  0.0001204900000000, -0.0002749500000000 ]  - [   0.0002573900000000,  0.0005091400000000, -0.0000636200000000 ]  - [  -0.0002113300000000, -0.0000230600000000, -0.0001566400000000 ]  - [   0.0003624700000000, -0.0001254600000000,  0.0001819900000000 ]  - [   0.0189430000000000, -0.0234359600000000, -0.0162344100000000 ]  - [  -0.0000308300000000,  0.0000333900000000, -0.0000631600000000 ]  - [  -0.0001983600000000,  0.0000843500000000,  0.0002434000000000 ]  - [  -0.0000242100000000, -0.0000885200000000, -0.0002101300000000 ]  - [   0.0000168600000000, -0.0001392400000000, -0.0000273200000000 ]  - [   0.0013778900000000, -0.0005059400000000,  0.0003452900000000 ]  - [   0.0001919900000000,  0.0004883800000000,  0.0007352700000000 ]  - [  -0.0000628200000000, -0.0002594400000000,  0.0000487100000000 ]  - [   0.0009368000000000, -0.0002108900000000, -0.0007148700000000 ]  - [  -0.0003763500000000, -0.0006335600000000, -0.0010225300000000 ]  - [  -0.0001798200000000,  0.0001445000000000,  0.0003065800000000 ]  - [   0.0001564600000000,  0.0000923100000000,  0.0001331200000000 ]  - [   0.0768599900000000, -0.0258697600000000,  0.0457700400000000 ]  - [  -0.0001922000000000,  0.0000861900000000, -0.0000790100000000 ]  - [  -0.0000294800000000, -0.0000230600000000,  0.0000984500000000 ]  - [  -0.0005887400000000,  0.0002849800000000, -0.0004210000000000 ]  - [   0.0003337000000000,  0.0000878100000000,  0.0002176300000000 ]  - [   0.0001805700000000,  0.0000467200000000,  0.0000022900000000 ]  - [  -0.0000796800000000,  0.0000343800000000, -0.0000007100000000 ]  - [   0.0003063800000000, -0.0005052300000000,  0.0002394400000000 ]  - [   0.0002566900000000, -0.0004723300000000, -0.0008101600000000 ]  - [  -0.0000385100000000, -0.0000500100000000, -0.0001136600000000 ]  - [   0.0002361600000000, -0.0006685300000000,  0.0000798200000000 ]  - [   0.0000437600000000,  0.0000639900000000, -0.0000208300000000 ]  - [   0.0016159100000000,  0.0004964300000000, -0.0003758700000000 ]  - [  -0.0013222300000000,  0.0004618300000000,  0.0001536300000000 ]  - [   0.0001183500000000,  0.0004807900000000,  0.0007585200000000 ]  - [   0.0002688900000000,  0.0001544600000000, -0.0006877500000000 ]  - [  -0.0004245900000000, -0.0006546400000000, -0.0004317100000000 ]  - [   0.0027177500000000,  0.0002872500000000, -0.0011951200000000 ]  - [  -0.0009035700000000, -0.0013240800000000, -0.0005423000000000 ]  - [  -0.0010120200000000, -0.0002107500000000,  0.0020518100000000 ]  - [  -0.0007849100000000,  0.0007110800000000, -0.0000179900000000 ]  - [   0.0204238300000000,  0.0165451800000000,  0.0013903900000000 ]  - [   0.0000883600000000,  0.0008828300000000, -0.0016913000000000 ]  - [  -0.0007070600000000,  0.0008621200000000,  0.0022208700000000 ]  - [  -0.0005247100000000, -0.0003223700000000,  0.0008505700000000 ]  - [  -0.0003642300000000, -0.0013675900000000, -0.0014697400000000 ]  - [   0.0015189200000000, -0.0006588400000000, -0.0000541100000000 ]  - [  -0.0006249000000000, -0.0007552800000000,  0.0001983300000000 ]- atom:    1  displacement:    [  -0.0099990780609911,  0.0000000000000000, -0.0001357863402818 ]  forces:  - [   0.1273660000000000, -0.0347142700000000,  0.0322574500000000 ]  - [  -0.0003244900000000, -0.0006374600000000,  0.0005661200000000 ]  - [  -0.0000700600000000, -0.0006270100000000,  0.0018732700000000 ]  - [  -0.0000984400000000, -0.0004192300000000, -0.0000439900000000 ]  - [   0.0013739200000000, -0.0007962500000000, -0.0006149500000000 ]  - [  -0.0008088600000000, -0.0002742300000000, -0.0008491200000000 ]  - [   0.0000518100000000, -0.0005940500000000, -0.0000379100000000 ]  - [  -0.0000344300000000, -0.0008979100000000, -0.0016705800000000 ]  - [  -0.0000543200000000,  0.0005105000000000,  0.0004321300000000 ]  - [  -0.0010671200000000,  0.0000442200000000, -0.0011806400000000 ]  - [   0.0050350400000000,  0.0027025200000000,  0.0007491700000000 ]  - [  -0.0006538000000000,  0.0002705000000000, -0.0009971800000000 ]  - [  -0.0008830500000000,  0.0004022100000000,  0.0050425600000000 ]  - [  -0.0000317800000000,  0.0004306200000000,  0.0000540300000000 ]  - [  -0.0008195400000000, -0.0014330900000000,  0.0032026800000000 ]  - [  -0.0000381200000000,  0.0006091300000000,  0.0005412200000000 ]  - [  -0.0010284200000000, -0.0017526600000000,  0.0006064000000000 ]  - [  -0.0010145300000000, -0.0013543100000000,  0.0005630200000000 ]  - [   0.0003540600000000, -0.0005487400000000,  0.0006369500000000 ]  - [   0.0003503100000000, -0.0005831400000000,  0.0009055700000000 ]  - [  -0.0007428500000000, -0.0003845900000000, -0.0009835700000000 ]  - [  -0.0043686500000000, -0.0018054300000000, -0.0017285200000000 ]  - [  -0.0001798300000000, -0.0003840700000000, -0.0016320400000000 ]  - [  -0.0008330500000000,  0.0002804000000000,  0.0006012700000000 ]  - [  -0.0005594800000000,  0.0004273700000000, -0.0007126600000000 ]  - [   0.0004167100000000, -0.0002122200000000, -0.0038111200000000 ]  - [  -0.0005657100000000,  0.0019454100000000, -0.0038799400000000 ]  - [  -0.0011005000000000,  0.0001756600000000,  0.0004208000000000 ]  - [  -0.0002192400000000,  0.0007121300000000,  0.0009314700000000 ]  - [   0.0007207600000000,  0.0003457400000000,  0.0000498000000000 ]  - [   0.0007257700000000,  0.0002782600000000,  0.0001606800000000 ]  - [  -0.0002310100000000,  0.0003842200000000,  0.0010503700000000 ]  - [   0.0001659600000000,  0.0000768300000000,  0.0001166200000000 ]  - [  -0.0000017600000000, -0.0001082500000000, -0.0005433600000000 ]  - [   0.0001705500000000,  0.0001562600000000,  0.0002009500000000 ]  - [   0.0000675400000000,  0.0000771400000000, -0.0002320100000000 ]  - [   0.0004123000000000, -0.0001200100000000,  0.0002753300000000 ]  - [  -0.0002594700000000, -0.0005198000000000,  0.0000671600000000 ]  - [   0.0002074100000000,  0.0000235100000000,  0.0001556400000000 ]  - [  -0.0003594100000000,  0.0001272600000000, -0.0001835900000000 ]  - [  -0.0191515500000000,  0.0233954500000000,  0.0161462500000000 ]  - [   0.0000323800000000, -0.0000363600000000,  0.0000636400000000 ]  - [   0.0001976300000000, -0.0000820900000000, -0.0002445000000000 ]  - [   0.0000211600000000,  0.0000896200000000,  0.0002067900000000 ]  - [  -0.0000150300000000,  0.0001420100000000,  0.0000258900000000 ]  - [  -0.0013988400000000,  0.0005319100000000, -0.0003546300000000 ]  - [  -0.0001894800000000, -0.0004936700000000, -0.0007376100000000 ]  - [   0.0000612500000000,  0.0002502000000000, -0.0000446400000000 ]  - [  -0.0009411900000000,  0.0002161500000000,  0.0007190800000000 ]  - [   0.0003591400000000,  0.0006173000000000,  0.0010126500000000 ]  - [   0.0001800000000000, -0.0001451500000000, -0.0002849100000000 ]  - [  -0.0001457900000000, -0.0000920400000000, -0.0001352200000000 ]  - [  -0.0802038300000000,  0.0273691900000000, -0.0484470700000000 ]  - [   0.0001953000000000, -0.0000900200000000,  0.0000801400000000 ]  - [   0.0000297600000000,  0.0000264600000000, -0.0001013200000000 ]  - [   0.0005879900000000, -0.0002872600000000,  0.0004177100000000 ]  - [  -0.0003514300000000, -0.0000786200000000, -0.0002262500000000 ]  - [  -0.0001909000000000, -0.0000457800000000,  0.0000012100000000 ]  - [   0.0000805500000000, -0.0000350200000000, -0.0000000100000000 ]  - [  -0.0003029500000000,  0.0004972200000000, -0.0002398800000000 ]  - [  -0.0002421000000000,  0.0004498000000000,  0.0008066000000000 ]  - [   0.0000385200000000,  0.0000483700000000,  0.0001172600000000 ]  - [  -0.0002387800000000,  0.0006630800000000, -0.0000825500000000 ]  - [  -0.0000438800000000, -0.0000633700000000,  0.0000184500000000 ]  - [  -0.0016222600000000,  0.0008703000000000,  0.0003726400000000 ]  - [   0.0013177900000000,  0.0008988800000000, -0.0001493400000000 ]  - [  -0.0001195900000000,  0.0008725800000000, -0.0007611000000000 ]  - [  -0.0002615000000000,  0.0012044100000000,  0.0006879200000000 ]  - [   0.0004224700000000, -0.0007010800000000,  0.0004307100000000 ]  - [  -0.0026933600000000, -0.0015907100000000,  0.0011952700000000 ]  - [   0.0009003200000000, -0.0000349500000000,  0.0005396500000000 ]  - [   0.0010043600000000, -0.0011402800000000, -0.0020295900000000 ]  - [   0.0007877700000000,  0.0006476500000000,  0.0000180000000000 ]  - [  -0.0197680400000000, -0.0143350300000000, -0.0013114100000000 ]  - [  -0.0000974200000000,  0.0004810500000000,  0.0016921300000000 ]  - [   0.0006954200000000,  0.0005038500000000, -0.0022288100000000 ]  - [   0.0005217900000000, -0.0010428300000000, -0.0008563700000000 ]  - [   0.0003604600000000,  0.0000009500000000,  0.0014655700000000 ]  - [  -0.0015142600000000, -0.0006952700000000,  0.0000530300000000 ]  - [   0.0006278700000000, -0.0006000800000000, -0.0001948600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0323717900000000, -0.1263729200000000, -0.0242243300000000 ]  - [   0.0003640800000000, -0.0004223600000000,  0.0007620000000000 ]  - [   0.0003489900000000, -0.0005430300000000,  0.0006580200000000 ]  - [   0.0001408200000000, -0.0007939700000000,  0.0008006600000000 ]  - [  -0.0005114800000000,  0.0004037500000000, -0.0012174600000000 ]  - [   0.0000062300000000, -0.0004157500000000, -0.0007609200000000 ]  - [  -0.0003147200000000, -0.0003333800000000, -0.0007135700000000 ]  - [  -0.0006374300000000,  0.0001358600000000, -0.0002080100000000 ]  - [  -0.0002236000000000,  0.0011360000000000, -0.0012743000000000 ]  - [   0.0002435600000000,  0.0013264500000000, -0.0007419500000000 ]  - [  -0.0024573300000000,  0.0011655400000000,  0.0023841600000000 ]  - [   0.0000058700000000,  0.0007523300000000, -0.0008512700000000 ]  - [  -0.0017764100000000, -0.0001231100000000,  0.0036480700000000 ]  - [   0.0003400900000000,  0.0003125900000000,  0.0008407000000000 ]  - [   0.0001228000000000, -0.0001166500000000, -0.0000993400000000 ]  - [   0.0001503800000000,  0.0003079300000000,  0.0007564800000000 ]  - [   0.0010763600000000,  0.0009862100000000,  0.0007885000000000 ]  - [   0.0014687800000000,  0.0010132700000000,  0.0010390400000000 ]  - [   0.0003038600000000, -0.0001963400000000,  0.0007442000000000 ]  - [   0.0002796500000000, -0.0001982700000000,  0.0005715200000000 ]  - [  -0.0001110800000000, -0.0005219600000000, -0.0008266300000000 ]  - [  -0.0015462900000000, -0.0034829500000000, -0.0007690200000000 ]  - [  -0.0001147500000000, -0.0005929100000000, -0.0006138800000000 ]  - [   0.0006350000000000, -0.0023613600000000, -0.0048459600000000 ]  - [  -0.0001468300000000,  0.0005478300000000, -0.0007441500000000 ]  - [   0.0004720100000000, -0.0003854000000000,  0.0018308900000000 ]  - [  -0.0016536900000000, -0.0037751200000000, -0.0016273200000000 ]  - [   0.0000995700000000,  0.0000278900000000, -0.0010426000000000 ]  - [   0.0001052500000000,  0.0007427800000000,  0.0008207600000000 ]  - [  -0.0000047400000000,  0.0010525000000000,  0.0010388700000000 ]  - [   0.0000710000000000,  0.0010483300000000,  0.0011970600000000 ]  - [   0.0004368700000000,  0.0007478100000000,  0.0006475500000000 ]  - [  -0.0000770300000000, -0.0000410700000000, -0.0000583600000000 ]  - [  -0.0008168100000000,  0.0011655500000000, -0.0010853800000000 ]  - [  -0.0000875800000000, -0.0000385400000000, -0.0001623900000000 ]  - [  -0.0000817900000000, -0.0000309300000000,  0.0002228600000000 ]  - [  -0.0002676700000000, -0.0000772700000000, -0.0000838100000000 ]  - [   0.0003387900000000,  0.0006166400000000,  0.0000774500000000 ]  - [  -0.0000385000000000, -0.0000074500000000, -0.0000022100000000 ]  - [   0.0001401300000000, -0.0000915500000000,  0.0000718200000000 ]  - [  -0.0241753400000000,  0.0789753800000000,  0.0430924200000000 ]  - [   0.0000155000000000,  0.0000144400000000, -0.0000074800000000 ]  - [   0.0000236700000000,  0.0001143600000000, -0.0000185300000000 ]  - [   0.0000711300000000, -0.0000054400000000, -0.0000192400000000 ]  - [   0.0001415700000000, -0.0000151200000000, -0.0000620000000000 ]  - [  -0.0014013900000000,  0.0002115000000000, -0.0013727700000000 ]  - [   0.0004307600000000,  0.0002630800000000,  0.0008727100000000 ]  - [  -0.0001094600000000, -0.0005571500000000,  0.0000907100000000 ]  - [   0.0001244300000000,  0.0000204000000000,  0.0004544400000000 ]  - [   0.0001546200000000, -0.0001098200000000,  0.0001838100000000 ]  - [   0.0006119000000000, -0.0006777400000000,  0.0000434400000000 ]  - [   0.0005488400000000,  0.0001503700000000,  0.0001931800000000 ]  - [  -0.0256245800000000,  0.0174675800000000, -0.0173783400000000 ]  - [  -0.0001784400000000,  0.0001394700000000, -0.0000078400000000 ]  - [   0.0000057900000000, -0.0000572200000000,  0.0000839700000000 ]  - [  -0.0003390500000000,  0.0004383800000000, -0.0001125500000000 ]  - [   0.0002206600000000, -0.0001964600000000,  0.0000172400000000 ]  - [   0.0007102700000000, -0.0000517000000000, -0.0002708000000000 ]  - [   0.0000074600000000,  0.0000477400000000, -0.0001554900000000 ]  - [  -0.0000237300000000, -0.0005202500000000, -0.0000620800000000 ]  - [  -0.0010877900000000,  0.0015286000000000,  0.0015944300000000 ]  - [  -0.0000245900000000, -0.0000138200000000, -0.0001077900000000 ]  - [   0.0000333700000000, -0.0003445000000000, -0.0001330900000000 ]  - [  -0.0000299900000000,  0.0001049600000000,  0.0000789100000000 ]  - [   0.0009156000000000, -0.0004039600000000,  0.0002083700000000 ]  - [  -0.0005121300000000, -0.0001759400000000,  0.0000050800000000 ]  - [   0.0002980000000000,  0.0007464800000000, -0.0011617100000000 ]  - [   0.0002608100000000, -0.0000029500000000,  0.0003104100000000 ]  - [  -0.0000913000000000, -0.0006222900000000, -0.0001423900000000 ]  - [   0.0000973400000000,  0.0067574200000000, -0.0044215400000000 ]  - [   0.0002309700000000,  0.0000997500000000, -0.0000877400000000 ]  - [   0.0002285500000000,  0.0000276900000000, -0.0000500400000000 ]  - [  -0.0001026800000000,  0.0006419900000000,  0.0000483400000000 ]  - [   0.0212569700000000,  0.0275532300000000,  0.0035062400000000 ]  - [  -0.0002534600000000,  0.0008011900000000, -0.0000038400000000 ]  - [  -0.0005124900000000,  0.0011222800000000, -0.0009079200000000 ]  - [   0.0002286900000000, -0.0011012100000000,  0.0001060700000000 ]  - [   0.0000049900000000, -0.0023921100000000, -0.0012470500000000 ]  - [  -0.0004286100000000, -0.0017309300000000, -0.0003156600000000 ]  - [  -0.0003810300000000, -0.0008146600000000,  0.0002083600000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0343598500000000,  0.1283005100000000,  0.0285331700000000 ]  - [   0.0000636400000000, -0.0005514100000000,  0.0007942600000000 ]  - [   0.0000607500000000, -0.0004234300000000,  0.0008800500000000 ]  - [   0.0002779700000000, -0.0001801100000000,  0.0007437600000000 ]  - [   0.0000928900000000, -0.0013723500000000, -0.0003305700000000 ]  - [  -0.0004269900000000, -0.0005585300000000, -0.0007917400000000 ]  - [  -0.0000902700000000, -0.0006343900000000, -0.0008303600000000 ]  - [   0.0002062100000000, -0.0010962900000000, -0.0013418300000000 ]  - [  -0.0001873500000000, -0.0001571200000000, -0.0002657700000000 ]  - [  -0.0006470900000000, -0.0003403100000000, -0.0008008400000000 ]  - [   0.0021291900000000, -0.0002583300000000, -0.0040590300000000 ]  - [  -0.0004265300000000,  0.0002213400000000, -0.0006993400000000 ]  - [   0.0021800400000000,  0.0010780300000000, -0.0020992100000000 ]  - [   0.0000850000000000,  0.0006610600000000,  0.0007161700000000 ]  - [   0.0003085200000000,  0.0010895200000000,  0.0016276100000000 ]  - [   0.0002702900000000,  0.0006596800000000,  0.0007996500000000 ]  - [  -0.0006758400000000, -0.0019903900000000,  0.0007529900000000 ]  - [  -0.0010266800000000, -0.0019499100000000,  0.0005156500000000 ]  - [   0.0001115300000000, -0.0007729600000000,  0.0008022600000000 ]  - [   0.0001392600000000, -0.0007769600000000,  0.0009702100000000 ]  - [  -0.0003050800000000, -0.0004385000000000, -0.0007261500000000 ]  - [   0.0011279500000000,  0.0024718100000000, -0.0007824800000000 ]  - [  -0.0003093700000000, -0.0003716700000000, -0.0009425500000000 ]  - [  -0.0010503500000000,  0.0013614100000000,  0.0032735200000000 ]  - [  -0.0002607500000000,  0.0004210800000000, -0.0007987000000000 ]  - [  -0.0008865900000000,  0.0013558200000000, -0.0033644000000000 ]  - [   0.0011653500000000,  0.0047250900000000,  0.0000413600000000 ]  - [  -0.0005177900000000,  0.0009386400000000, -0.0005246000000000 ]  - [   0.0003163600000000,  0.0002216600000000,  0.0007368200000000 ]  - [   0.0004120000000000, -0.0000806000000000,  0.0005187000000000 ]  - [   0.0003525000000000, -0.0000818500000000,  0.0003616400000000 ]  - [  -0.0000258900000000,  0.0002263600000000,  0.0008855000000000 ]  - [   0.0000780300000000,  0.0000392000000000,  0.0000567900000000 ]  - [   0.0008241900000000, -0.0011942600000000,  0.0010766800000000 ]  - [   0.0000865900000000,  0.0000369900000000,  0.0001635200000000 ]  - [   0.0000801900000000,  0.0000312700000000, -0.0002205700000000 ]  - [   0.0002681300000000,  0.0000743200000000,  0.0000869800000000 ]  - [  -0.0003506000000000, -0.0006497600000000, -0.0000821800000000 ]  - [   0.0000357800000000,  0.0000088100000000, -0.0000029200000000 ]  - [  -0.0001340700000000,  0.0000901300000000, -0.0000730200000000 ]  - [   0.0256670000000000, -0.0824793200000000, -0.0457500500000000 ]  - [  -0.0000137300000000, -0.0000177900000000,  0.0000090400000000 ]  - [  -0.0000255500000000, -0.0001148000000000,  0.0000198900000000 ]  - [  -0.0000727200000000,  0.0000080300000000,  0.0000145000000000 ]  - [  -0.0001446500000000,  0.0000138800000000,  0.0000610000000000 ]  - [   0.0014002500000000, -0.0002007000000000,  0.0013704200000000 ]  - [  -0.0004319000000000, -0.0002613100000000, -0.0008702500000000 ]  - [   0.0001072900000000,  0.0005506500000000, -0.0000875600000000 ]  - [  -0.0001172100000000, -0.0000190600000000, -0.0004577900000000 ]  - [  -0.0001594100000000,  0.0001110100000000, -0.0001782200000000 ]  - [  -0.0006119000000000,  0.0006749300000000, -0.0000287300000000 ]  - [  -0.0005434700000000, -0.0001487500000000, -0.0001953300000000 ]  - [   0.0255280000000000, -0.0176849900000000,  0.0172618100000000 ]  - [   0.0001769100000000, -0.0001397100000000,  0.0000082400000000 ]  - [  -0.0000064400000000,  0.0000596800000000, -0.0000839100000000 ]  - [   0.0003357000000000, -0.0004378300000000,  0.0001100500000000 ]  - [  -0.0002245700000000,  0.0002026200000000, -0.0000140600000000 ]  - [  -0.0007163800000000,  0.0000566000000000,  0.0002739400000000 ]  - [  -0.0000052600000000, -0.0000463900000000,  0.0001536300000000 ]  - [   0.0000266400000000,  0.0005174800000000,  0.0000563400000000 ]  - [   0.0010908700000000, -0.0015428900000000, -0.0015965200000000 ]  - [   0.0000242300000000,  0.0000140300000000,  0.0001087400000000 ]  - [  -0.0000335300000000,  0.0003427700000000,  0.0001317000000000 ]  - [   0.0000295600000000, -0.0001051700000000, -0.0000803300000000 ]  - [  -0.0009146300000000,  0.0017878600000000, -0.0002207600000000 ]  - [   0.0005037400000000,  0.0015299700000000, -0.0000000200000000 ]  - [  -0.0002985700000000,  0.0006041900000000,  0.0011701000000000 ]  - [  -0.0002550300000000,  0.0013581100000000, -0.0003099300000000 ]  - [   0.0000910100000000, -0.0007391100000000,  0.0001398300000000 ]  - [  -0.0001085800000000, -0.0080668200000000,  0.0045316800000000 ]  - [  -0.0002315000000000, -0.0014590800000000,  0.0000892900000000 ]  - [  -0.0002256600000000, -0.0013861100000000,  0.0000534900000000 ]  - [   0.0001027100000000,  0.0007203500000000, -0.0000482700000000 ]  - [  -0.0202469100000000, -0.0252222000000000, -0.0033779600000000 ]  - [   0.0002482300000000,  0.0005594000000000, -0.0000052500000000 ]  - [   0.0005003600000000,  0.0002420100000000,  0.0009137200000000 ]  - [  -0.0002284500000000, -0.0002626100000000, -0.0001100500000000 ]  - [  -0.0000142200000000,  0.0010034700000000,  0.0012230500000000 ]  - [   0.0004276900000000,  0.0003865200000000,  0.0003172800000000 ]  - [   0.0003787700000000, -0.0005425100000000, -0.0002038000000000 ]- atom:    1  displacement:    [  -0.0067215292623140,  0.0000000000000000,  0.0074041234711380 ]  forces:  - [   0.0628486100000000, -0.0414117000000000, -0.0574011100000000 ]  - [  -0.0000008700000000, -0.0005998400000000,  0.0011217800000000 ]  - [  -0.0008141200000000, -0.0006634700000000,  0.0018249900000000 ]  - [   0.0006100700000000, -0.0004183300000000,  0.0004065000000000 ]  - [   0.0007530700000000, -0.0003533300000000, -0.0015935800000000 ]  - [  -0.0005592200000000, -0.0003495200000000, -0.0004654500000000 ]  - [  -0.0005822500000000, -0.0006000800000000, -0.0002252100000000 ]  - [   0.0005821300000000, -0.0011897500000000, -0.0012800900000000 ]  - [  -0.0010027600000000,  0.0001224300000000, -0.0006915300000000 ]  - [  -0.0004827400000000,  0.0002050500000000, -0.0007437800000000 ]  - [   0.0021912400000000,  0.0043507400000000, -0.0021983900000000 ]  - [  -0.0003481200000000,  0.0002849400000000, -0.0005037000000000 ]  - [  -0.0024160200000000,  0.0010832300000000,  0.0045047300000000 ]  - [   0.0002206500000000,  0.0004636000000000,  0.0007365800000000 ]  - [  -0.0036363400000000, -0.0029380800000000,  0.0031952800000000 ]  - [   0.0005794300000000,  0.0005207300000000,  0.0010656400000000 ]  - [  -0.0004589100000000, -0.0011339600000000,  0.0004875300000000 ]  - [  -0.0004943400000000, -0.0010651500000000,  0.0004562000000000 ]  - [   0.0001979700000000, -0.0006778100000000,  0.0010609600000000 ]  - [   0.0004062800000000, -0.0005756400000000,  0.0012455900000000 ]  - [  -0.0004070600000000, -0.0003763700000000, -0.0010259700000000 ]  - [  -0.0023156000000000, -0.0013785600000000, -0.0020315600000000 ]  - [   0.0004299300000000, -0.0005430900000000, -0.0002749900000000 ]  - [  -0.0017732000000000,  0.0030973000000000,  0.0062862500000000 ]  - [  -0.0004957600000000,  0.0004637300000000, -0.0001402000000000 ]  - [   0.0024773100000000,  0.0019584700000000, -0.0002596100000000 ]  - [   0.0018757500000000,  0.0008220200000000, -0.0049535600000000 ]  - [  -0.0017162700000000,  0.0000800300000000,  0.0004270000000000 ]  - [  -0.0003047200000000,  0.0007268400000000,  0.0011390100000000 ]  - [   0.0010286100000000,  0.0000691900000000,  0.0000187500000000 ]  - [   0.0011090600000000,  0.0001522300000000,  0.0000900400000000 ]  - [  -0.0002035000000000,  0.0003805700000000,  0.0012265500000000 ]  - [   0.0000589500000000,  0.0000472800000000,  0.0000113000000000 ]  - [   0.0000395800000000, -0.0003152900000000, -0.0001412600000000 ]  - [  -0.0000958200000000,  0.0000499700000000, -0.0000293200000000 ]  - [   0.0002679300000000,  0.0002140200000000, -0.0001336500000000 ]  - [   0.0001149100000000, -0.0000129100000000,  0.0000833800000000 ]  - [   0.0000847800000000, -0.0000536800000000,  0.0005059700000000 ]  - [  -0.0000287100000000,  0.0000930000000000, -0.0000684200000000 ]  - [  -0.0002346300000000, -0.0002721800000000, -0.0001365900000000 ]  - [  -0.0260202800000000,  0.0485386100000000,  0.0387455600000000 ]  - [   0.0000224800000000, -0.0000750400000000, -0.0000275600000000 ]  - [   0.0000599400000000, -0.0000566400000000, -0.0001747900000000 ]  - [  -0.0000482300000000,  0.0000816400000000,  0.0000464000000000 ]  - [   0.0000182300000000,  0.0000957600000000,  0.0000425500000000 ]  - [  -0.0004653200000000,  0.0000404700000000, -0.0000293900000000 ]  - [   0.0005406900000000,  0.0001499000000000,  0.0007689600000000 ]  - [   0.0000951100000000,  0.0008851600000000, -0.0002057900000000 ]  - [  -0.0003051800000000,  0.0003848100000000,  0.0009634600000000 ]  - [   0.0001391400000000,  0.0003075300000000,  0.0004983600000000 ]  - [  -0.0005249400000000, -0.0010115600000000,  0.0021614600000000 ]  - [  -0.0010680600000000, -0.0003923200000000, -0.0005802700000000 ]  - [  -0.0175490200000000,  0.0043254700000000, -0.0021946500000000 ]  - [   0.0001049300000000, -0.0000443000000000, -0.0000451500000000 ]  - [   0.0002179600000000, -0.0000553900000000, -0.0001408900000000 ]  - [  -0.0002624400000000,  0.0003257300000000,  0.0001004700000000 ]  - [  -0.0000525800000000,  0.0000652200000000,  0.0001714600000000 ]  - [   0.0000596400000000, -0.0000745200000000, -0.0000726300000000 ]  - [   0.0000701200000000,  0.0000358100000000, -0.0001258700000000 ]  - [   0.0001354400000000, -0.0001751800000000, -0.0003706000000000 ]  - [  -0.0004785400000000,  0.0002824700000000,  0.0009066700000000 ]  - [   0.0000468300000000,  0.0000771800000000,  0.0000150000000000 ]  - [  -0.0002327000000000,  0.0012032600000000, -0.0003822600000000 ]  - [   0.0000117700000000, -0.0000963900000000, -0.0000063400000000 ]  - [  -0.0011461500000000,  0.0007100700000000,  0.0010244300000000 ]  - [   0.0007615600000000,  0.0008241800000000, -0.0002769000000000 ]  - [   0.0005398900000000,  0.0006057700000000, -0.0012142400000000 ]  - [  -0.0009549200000000,  0.0017773400000000, -0.0000842300000000 ]  - [   0.0002853300000000, -0.0008385100000000, -0.0007066700000000 ]  - [  -0.0023160100000000, -0.0075306600000000,  0.0083786900000000 ]  - [  -0.0003254200000000, -0.0005955300000000,  0.0002569400000000 ]  - [   0.0021993200000000, -0.0013701100000000, -0.0012945600000000 ]  - [   0.0004280900000000,  0.0006600400000000, -0.0003755900000000 ]  - [  -0.0125557300000000, -0.0078397300000000,  0.0039321400000000 ]  - [  -0.0008790300000000,  0.0008921300000000,  0.0005294300000000 ]  - [   0.0021203800000000, -0.0001851000000000, -0.0023221900000000 ]  - [   0.0010256500000000, -0.0007816300000000, -0.0005822900000000 ]  - [  -0.0003324800000000, -0.0000938100000000,  0.0009366400000000 ]  - [  -0.0013300500000000, -0.0006359900000000,  0.0007276800000000 ]  - [   0.0004592900000000, -0.0006727600000000, -0.0005895100000000 ]- atom:    1  displacement:    [   0.0067215292623140,  0.0000000000000000, -0.0074041234711380 ]  forces:  - [  -0.0632505200000000,  0.0424752500000000,  0.0587066800000000 ]  - [   0.0004167800000000, -0.0003792100000000,  0.0004254100000000 ]  - [   0.0012195600000000, -0.0003152300000000, -0.0002826600000000 ]  - [  -0.0001987600000000, -0.0005567700000000,  0.0011290300000000 ]  - [  -0.0011614500000000, -0.0006070600000000,  0.0000366000000000 ]  - [   0.0001396000000000, -0.0006204100000000, -0.0010841000000000 ]  - [   0.0001699200000000, -0.0003611200000000, -0.0013201700000000 ]  - [  -0.0009927400000000,  0.0002091800000000, -0.0002807600000000 ]  - [   0.0005820500000000,  0.0008516200000000, -0.0008556200000000 ]  - [   0.0000674200000000,  0.0007659500000000, -0.0007927400000000 ]  - [  -0.0026361500000000, -0.0035022200000000,  0.0006513500000000 ]  - [  -0.0000734000000000,  0.0006922100000000, -0.0010382900000000 ]  - [   0.0027375900000000, -0.0000657100000000, -0.0028396600000000 ]  - [   0.0002015900000000,  0.0005101500000000,  0.0008203400000000 ]  - [   0.0041615000000000,  0.0039773000000000, -0.0017434600000000 ]  - [  -0.0001567200000000,  0.0004494500000000,  0.0004913400000000 ]  - [   0.0008662400000000,  0.0001428300000000,  0.0010559200000000 ]  - [   0.0009009900000000,  0.0000828000000000,  0.0010878600000000 ]  - [   0.0002121800000000, -0.0002956200000000,  0.0004832200000000 ]  - [   0.0000160900000000, -0.0004131400000000,  0.0002984200000000 ]  - [  -0.0000085400000000, -0.0005873200000000, -0.0005321200000000 ]  - [   0.0019365200000000,  0.0004230100000000,  0.0004816900000000 ]  - [  -0.0008563400000000, -0.0004321700000000, -0.0012755700000000 ]  - [   0.0013387500000000, -0.0040502700000000, -0.0077973200000000 ]  - [   0.0000845900000000,  0.0005072800000000, -0.0014021000000000 ]  - [  -0.0028712000000000, -0.0009665300000000, -0.0012474300000000 ]  - [  -0.0023160900000000,  0.0001661100000000,  0.0033489600000000 ]  - [   0.0012995400000000,  0.0008928700000000, -0.0019607800000000 ]  - [   0.0007164500000000,  0.0002409700000000,  0.0004192800000000 ]  - [  -0.0006018400000000,  0.0008808100000000,  0.0015324000000000 ]  - [  -0.0006828100000000,  0.0008216500000000,  0.0014598300000000 ]  - [   0.0006134200000000,  0.0005910100000000,  0.0003192800000000 ]  - [  -0.0000579600000000, -0.0000480100000000, -0.0000131100000000 ]  - [  -0.0000415100000000,  0.0003222400000000,  0.0001365700000000 ]  - [   0.0000942200000000, -0.0000498500000000,  0.0000296900000000 ]  - [  -0.0002674600000000, -0.0002117400000000,  0.0001307700000000 ]  - [  -0.0001155800000000,  0.0000125500000000, -0.0000844100000000 ]  - [  -0.0000862800000000,  0.0000475400000000, -0.0005086200000000 ]  - [   0.0000264000000000, -0.0000913000000000,  0.0000680200000000 ]  - [   0.0002378700000000,  0.0002769000000000,  0.0001373200000000 ]  - [   0.0263778700000000, -0.0503919500000000, -0.0395125600000000 ]  - [  -0.0000239200000000,  0.0000729800000000,  0.0000275000000000 ]  - [  -0.0000594100000000,  0.0000609700000000,  0.0001755700000000 ]  - [   0.0000450300000000, -0.0000792900000000, -0.0000465800000000 ]  - [  -0.0000200400000000, -0.0000934000000000, -0.0000425300000000 ]  - [   0.0004484400000000, -0.0000246800000000,  0.0000301500000000 ]  - [  -0.0005406200000000, -0.0001485200000000, -0.0007612000000000 ]  - [  -0.0000983000000000, -0.0008826600000000,  0.0002118500000000 ]  - [   0.0003076200000000, -0.0003765200000000, -0.0009541200000000 ]  - [  -0.0001463800000000, -0.0003125000000000, -0.0004927900000000 ]  - [   0.0005221700000000,  0.0010116800000000, -0.0021354500000000 ]  - [   0.0010652600000000,  0.0003887200000000,  0.0005738300000000 ]  - [   0.0179754300000000, -0.0044685500000000,  0.0023851200000000 ]  - [  -0.0001006000000000,  0.0000408500000000,  0.0000410600000000 ]  - [  -0.0002195400000000,  0.0000566900000000,  0.0001426300000000 ]  - [   0.0002586900000000, -0.0003211000000000, -0.0001020900000000 ]  - [   0.0000514000000000, -0.0000630900000000, -0.0001715400000000 ]  - [  -0.0000634800000000,  0.0000714900000000,  0.0000711600000000 ]  - [  -0.0000677600000000, -0.0000393400000000,  0.0001262900000000 ]  - [  -0.0001279800000000,  0.0001695200000000,  0.0003698100000000 ]  - [   0.0004967500000000, -0.0003195700000000, -0.0009152500000000 ]  - [  -0.0000444500000000, -0.0000773900000000, -0.0000139500000000 ]  - [   0.0002355100000000, -0.0012201000000000,  0.0003847000000000 ]  - [  -0.0000109300000000,  0.0000934900000000,  0.0000048300000000 ]  - [   0.0011352300000000,  0.0006659400000000, -0.0010288400000000 ]  - [  -0.0007555400000000,  0.0005429200000000,  0.0002730900000000 ]  - [  -0.0005326000000000,  0.0007542900000000,  0.0012095900000000 ]  - [   0.0009432500000000, -0.0003949700000000,  0.0000766500000000 ]  - [  -0.0002812000000000, -0.0005186700000000,  0.0007031300000000 ]  - [   0.0022597300000000,  0.0059392700000000, -0.0076750100000000 ]  - [   0.0003171000000000, -0.0007706300000000, -0.0002569600000000 ]  - [  -0.0022057500000000,  0.0000241300000000,  0.0012855300000000 ]  - [  -0.0004252700000000,  0.0007002500000000,  0.0003756800000000 ]  - [   0.0126738500000000,  0.0093733900000000, -0.0038382000000000 ]  - [   0.0008756000000000,  0.0004711800000000, -0.0005314900000000 ]  - [  -0.0021145100000000,  0.0015461100000000,  0.0022967800000000 ]  - [  -0.0010255200000000, -0.0005850500000000,  0.0005832900000000 ]  - [   0.0003294000000000, -0.0012591000000000, -0.0009207400000000 ]  - [   0.0013371800000000, -0.0007340100000000, -0.0007257300000000 ]  - [  -0.0004556500000000, -0.0006887700000000,  0.0005857200000000 ]- atom:   33  displacement:    [   0.0099990780609911,  0.0000000000000000,  0.0001357863402818 ]  forces:  - [   0.0000391300000000, -0.0005685300000000,  0.0006968600000000 ]  - [   0.0002219000000000, -0.0013271800000000,  0.0008359900000000 ]  - [   0.0000301500000000, -0.0005716200000000,  0.0004887200000000 ]  - [   0.0001360700000000, -0.0005633600000000,  0.0010695500000000 ]  - [  -0.0004037300000000, -0.0003088600000000, -0.0008195900000000 ]  - [   0.0766057900000000,  0.0245082800000000,  0.0450233900000000 ]  - [  -0.0007921500000000, -0.0001488800000000, -0.0016468800000000 ]  - [  -0.0002398900000000, -0.0004897900000000, -0.0005152800000000 ]  - [  -0.0005796600000000,  0.0006509900000000, -0.0009227900000000 ]  - [   0.0006963100000000,  0.0006155700000000, -0.0003271500000000 ]  - [  -0.0000417700000000,  0.0010409000000000, -0.0020711800000000 ]  - [  -0.0003703500000000,  0.0011018300000000, -0.0015747100000000 ]  - [  -0.0002045200000000,  0.0007521700000000,  0.0005550900000000 ]  - [   0.0004663300000000,  0.0001244700000000,  0.0011448700000000 ]  - [  -0.0000051300000000,  0.0005225200000000,  0.0005471200000000 ]  - [   0.0005762000000000,  0.0003460000000000,  0.0007944000000000 ]  - [   0.0011438200000000, -0.0003599600000000,  0.0012035900000000 ]  - [  -0.0001785300000000, -0.0003326400000000,  0.0006368100000000 ]  - [   0.0000466000000000,  0.0001232900000000, -0.0000547300000000 ]  - [   0.0003821200000000,  0.0000561300000000, -0.0005221300000000 ]  - [   0.0000423400000000, -0.0008160500000000, -0.0004257100000000 ]  - [  -0.0006271500000000, -0.0002162100000000, -0.0009936400000000 ]  - [   0.0001544400000000, -0.0006199400000000, -0.0007743000000000 ]  - [  -0.0004206200000000, -0.0004554100000000, -0.0010033800000000 ]  - [  -0.0002035600000000, -0.0003459400000000, -0.0007140600000000 ]  - [  -0.0003729400000000,  0.0004124500000000, -0.0008389400000000 ]  - [  -0.0002757100000000,  0.0004064900000000, -0.0004771700000000 ]  - [  -0.0003785000000000,  0.0003933300000000, -0.0010611900000000 ]  - [   0.0804514100000000,  0.0271425000000000,  0.0494943200000000 ]  - [   0.0000176500000000,  0.0006624000000000,  0.0007428500000000 ]  - [   0.0001789200000000,  0.0004777600000000,  0.0010421800000000 ]  - [  -0.0003719200000000,  0.0008283600000000, -0.0001117900000000 ]  - [  -0.1719951300000000, -0.0542601700000000, -0.1007060800000000 ]  - [   0.0001523500000000,  0.0000211600000000,  0.0000993900000000 ]  - [  -0.0000599500000000,  0.0000180700000000,  0.0000254800000000 ]  - [   0.0004258900000000,  0.0002213400000000,  0.0002507200000000 ]  - [  -0.0009225600000000, -0.0001933400000000, -0.0000548000000000 ]  - [   0.0002719800000000, -0.0000838100000000,  0.0001888900000000 ]  - [  -0.0009436200000000, -0.0002014800000000, -0.0000103400000000 ]  - [   0.0002691500000000, -0.0000877600000000,  0.0001895900000000 ]  - [  -0.0000257100000000,  0.0001253000000000,  0.0000463800000000 ]  - [   0.0001521100000000, -0.0001825400000000, -0.0002494100000000 ]  - [   0.0000896900000000,  0.0001686000000000,  0.0000968000000000 ]  - [   0.0000787400000000, -0.0001559300000000, -0.0000232300000000 ]  - [   0.0027334100000000,  0.0059527900000000, -0.0021221400000000 ]  - [  -0.0000437700000000,  0.0000312700000000,  0.0000284600000000 ]  - [   0.0000616300000000, -0.0000062800000000, -0.0001090500000000 ]  - [  -0.0000711500000000, -0.0001584900000000,  0.0000952100000000 ]  - [   0.0004679100000000, -0.0001653300000000,  0.0001012000000000 ]  - [   0.0004656500000000, -0.0001682100000000,  0.0001045100000000 ]  - [  -0.0000726200000000, -0.0000381000000000,  0.0000237700000000 ]  - [  -0.0000765400000000, -0.0000370000000000,  0.0000209200000000 ]  - [   0.0000117400000000, -0.0000033700000000, -0.0000014800000000 ]  - [  -0.0001808600000000, -0.0000476400000000, -0.0000112800000000 ]  - [  -0.0001809100000000, -0.0000447600000000, -0.0000097100000000 ]  - [   0.0000096300000000, -0.0000005400000000, -0.0000043200000000 ]  - [   0.0000845300000000, -0.0001556300000000, -0.0000194300000000 ]  - [   0.0000979300000000,  0.0001664200000000,  0.0000993700000000 ]  - [   0.0001568700000000, -0.0001937900000000, -0.0002266900000000 ]  - [  -0.0000218700000000,  0.0001220600000000,  0.0000459800000000 ]  - [  -0.0000426800000000,  0.0000278400000000,  0.0000268700000000 ]  - [   0.0026720500000000,  0.0058547500000000, -0.0021209100000000 ]  - [  -0.0000683000000000, -0.0001529700000000,  0.0000929600000000 ]  - [   0.0000617000000000, -0.0000058100000000, -0.0001117300000000 ]  - [   0.0007025800000000,  0.0006546100000000, -0.0003779500000000 ]  - [   0.0066578900000000, -0.0049368300000000,  0.0017656800000000 ]  - [  -0.0012503600000000,  0.0009892200000000,  0.0062195900000000 ]  - [  -0.0001777700000000,  0.0004972600000000, -0.0001398000000000 ]  - [  -0.0013641700000000, -0.0000510100000000, -0.0001901700000000 ]  - [   0.0003359500000000, -0.0006742300000000,  0.0000666600000000 ]  - [   0.0000088000000000, -0.0004522100000000, -0.0005562600000000 ]  - [   0.0004032200000000, -0.0006654600000000,  0.0006130600000000 ]  - [  -0.0013588100000000,  0.0012929300000000, -0.0001910000000000 ]  - [   0.0003352800000000,  0.0006806900000000,  0.0000667100000000 ]  - [   0.0000068900000000,  0.0009057000000000, -0.0005587400000000 ]  - [   0.0004014000000000,  0.0006991000000000,  0.0006126000000000 ]  - [   0.0067567900000000, -0.0064011400000000,  0.0018130000000000 ]  - [   0.0006959300000000, -0.0007022600000000, -0.0003793000000000 ]  - [  -0.0001798100000000, -0.0008631200000000, -0.0001331300000000 ]  - [  -0.0012541500000000, -0.0003809800000000,  0.0061920600000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001292900000000, -0.0005307300000000,  0.0007653200000000 ]  - [   0.0003243000000000,  0.0007043300000000,  0.0004479200000000 ]  - [   0.0000508800000000, -0.0005229100000000,  0.0007015700000000 ]  - [   0.0001321800000000, -0.0005192700000000,  0.0009926300000000 ]  - [  -0.0002989500000000, -0.0003505900000000, -0.0008041900000000 ]  - [   0.0259029300000000,  0.0172055000000000,  0.0170324900000000 ]  - [  -0.0004851500000000, -0.0000544000000000, -0.0014525300000000 ]  - [  -0.0001877900000000, -0.0005405800000000, -0.0006862400000000 ]  - [  -0.0008187700000000,  0.0003774800000000, -0.0009241500000000 ]  - [  -0.0004230900000000,  0.0005047100000000, -0.0004534500000000 ]  - [  -0.0001175100000000,  0.0006371500000000, -0.0012149700000000 ]  - [  -0.0000406500000000, -0.0001829700000000, -0.0019715300000000 ]  - [   0.0000892600000000,  0.0004073600000000,  0.0006819100000000 ]  - [  -0.0003024100000000,  0.0011119700000000,  0.0003899000000000 ]  - [   0.0002334600000000,  0.0004782900000000,  0.0006751000000000 ]  - [   0.0003276100000000,  0.0003891300000000,  0.0012652700000000 ]  - [  -0.0000152600000000, -0.0004661200000000,  0.0010822800000000 ]  - [  -0.0004267100000000, -0.0005977600000000,  0.0006354800000000 ]  - [   0.0003672700000000, -0.0011666100000000, -0.0004617000000000 ]  - [   0.0003088200000000, -0.0003401900000000,  0.0003340500000000 ]  - [  -0.0007131700000000,  0.0001575800000000, -0.0011692200000000 ]  - [  -0.0003338600000000, -0.0005631100000000, -0.0008700600000000 ]  - [  -0.0000901000000000, -0.0005765100000000, -0.0003073400000000 ]  - [  -0.0001838400000000, -0.0004994200000000, -0.0008757000000000 ]  - [  -0.0000975000000000,  0.0016533100000000, -0.0011004700000000 ]  - [  -0.0002879300000000,  0.0004486000000000, -0.0007789000000000 ]  - [  -0.0002862800000000,  0.0004506600000000, -0.0005612600000000 ]  - [  -0.0003641300000000,  0.0004395100000000, -0.0008549200000000 ]  - [   0.0268234900000000,  0.0179445400000000,  0.0189531300000000 ]  - [   0.0001276800000000,  0.0006237300000000,  0.0007624800000000 ]  - [   0.0002364400000000,  0.0004250100000000,  0.0008764100000000 ]  - [  -0.0000689900000000,  0.0009290200000000,  0.0000767700000000 ]  - [  -0.0537179200000000, -0.0438537700000000, -0.0379821300000000 ]  - [   0.0000220200000000,  0.0000337400000000,  0.0000288300000000 ]  - [   0.0000164500000000,  0.0000167400000000,  0.0000077600000000 ]  - [   0.0002197200000000,  0.0002318800000000,  0.0000061700000000 ]  - [   0.0002035500000000,  0.0003945100000000, -0.0005635800000000 ]  - [   0.0000839200000000, -0.0001470200000000,  0.0001078700000000 ]  - [   0.0002051800000000,  0.0003946300000000, -0.0005665200000000 ]  - [   0.0000829100000000, -0.0001497400000000,  0.0001054700000000 ]  - [  -0.0000100500000000,  0.0000560500000000,  0.0000068600000000 ]  - [  -0.0001742400000000, -0.0008329600000000,  0.0018518700000000 ]  - [   0.0000202700000000,  0.0001358400000000,  0.0000579000000000 ]  - [   0.0000839900000000,  0.0000098100000000, -0.0000641300000000 ]  - [   0.0025836600000000,  0.0030996900000000, -0.0005215300000000 ]  - [  -0.0000313000000000,  0.0000150000000000,  0.0000100500000000 ]  - [  -0.0000177300000000,  0.0000412900000000, -0.0000119200000000 ]  - [  -0.0000338100000000, -0.0001041900000000,  0.0000761800000000 ]  - [  -0.0001698200000000,  0.0002931500000000,  0.0000381000000000 ]  - [  -0.0001662900000000,  0.0002875900000000,  0.0000447400000000 ]  - [  -0.0000371900000000, -0.0000361900000000,  0.0001612600000000 ]  - [  -0.0000395000000000, -0.0000407900000000,  0.0001537500000000 ]  - [   0.0000023300000000, -0.0000313800000000, -0.0000217200000000 ]  - [   0.0000454300000000,  0.0001061400000000,  0.0000578800000000 ]  - [   0.0000470700000000,  0.0001042900000000,  0.0000606300000000 ]  - [   0.0000013000000000, -0.0000302900000000, -0.0000237700000000 ]  - [   0.0000833400000000,  0.0000091600000000, -0.0000592200000000 ]  - [   0.0000294100000000,  0.0001405200000000,  0.0000638500000000 ]  - [  -0.0001722800000000, -0.0008416700000000,  0.0018688200000000 ]  - [  -0.0000071900000000,  0.0000555700000000,  0.0000055400000000 ]  - [  -0.0000291600000000,  0.0000118300000000,  0.0000078800000000 ]  - [   0.0025410600000000,  0.0030953500000000, -0.0005177100000000 ]  - [  -0.0000314900000000, -0.0000984800000000,  0.0000747300000000 ]  - [  -0.0000194600000000,  0.0000405400000000, -0.0000143400000000 ]  - [   0.0003323300000000,  0.0005821100000000, -0.0001928800000000 ]  - [   0.0010122400000000, -0.0017506500000000, -0.0002523800000000 ]  - [  -0.0003749100000000,  0.0009769200000000,  0.0023859100000000 ]  - [  -0.0000011200000000,  0.0005872400000000, -0.0000401600000000 ]  - [  -0.0019034200000000,  0.0012785800000000,  0.0003486400000000 ]  - [   0.0001382900000000, -0.0007242800000000,  0.0000493700000000 ]  - [   0.0001121400000000, -0.0005974400000000, -0.0003668000000000 ]  - [   0.0001444200000000, -0.0005648700000000,  0.0002277400000000 ]  - [  -0.0018775800000000,  0.0026245500000000,  0.0003479400000000 ]  - [   0.0001367400000000,  0.0006354400000000,  0.0000503000000000 ]  - [   0.0001085500000000,  0.0007587400000000, -0.0003700900000000 ]  - [   0.0001422200000000,  0.0007994100000000,  0.0002275700000000 ]  - [   0.0009621100000000, -0.0030643700000000, -0.0002658200000000 ]  - [   0.0003333300000000, -0.0007775900000000, -0.0002016000000000 ]  - [  -0.0000011100000000, -0.0007741200000000, -0.0000271100000000 ]  - [  -0.0003899100000000, -0.0003732600000000,  0.0024437000000000 ]- atom:   33  displacement:    [  -0.0067215292623140,  0.0000000000000000,  0.0074041234711380 ]  forces:  - [   0.0002258700000000, -0.0004750300000000,  0.0007497200000000 ]  - [   0.0006141100000000, -0.0007416800000000,  0.0009637300000000 ]  - [   0.0001684500000000, -0.0005421600000000,  0.0008002500000000 ]  - [   0.0004338700000000, -0.0002680000000000,  0.0006040300000000 ]  - [  -0.0001412300000000, -0.0006022600000000, -0.0008556800000000 ]  - [  -0.0180384500000000, -0.0048529900000000, -0.0032321000000000 ]  - [  -0.0001279000000000, -0.0006363600000000, -0.0003528600000000 ]  - [  -0.0001140600000000, -0.0005445800000000, -0.0010281200000000 ]  - [  -0.0007045400000000,  0.0005169900000000, -0.0008752200000000 ]  - [  -0.0013932600000000,  0.0007477400000000, -0.0005894700000000 ]  - [  -0.0002214400000000,  0.0002609200000000, -0.0003929000000000 ]  - [   0.0000905000000000,  0.0001111600000000,  0.0021183600000000 ]  - [   0.0002871000000000,  0.0003692600000000,  0.0008192300000000 ]  - [  -0.0000084900000000,  0.0006631200000000,  0.0010029300000000 ]  - [   0.0002344700000000,  0.0004648300000000,  0.0007536200000000 ]  - [   0.0001132900000000,  0.0005233000000000,  0.0007640800000000 ]  - [  -0.0009415000000000, -0.0002340200000000,  0.0009467100000000 ]  - [  -0.0003046500000000, -0.0004537300000000,  0.0006919100000000 ]  - [   0.0005163500000000, -0.0008835400000000,  0.0036697400000000 ]  - [   0.0002063500000000, -0.0007086400000000,  0.0011626000000000 ]  - [  -0.0004380800000000, -0.0003021600000000, -0.0005617900000000 ]  - [  -0.0001438800000000, -0.0006027900000000, -0.0007319200000000 ]  - [  -0.0003231800000000, -0.0004473000000000, -0.0008077600000000 ]  - [  -0.0001887200000000, -0.0005134600000000, -0.0008043900000000 ]  - [   0.0001873000000000,  0.0002433500000000, -0.0005906300000000 ]  - [  -0.0001871100000000,  0.0004946000000000, -0.0007977200000000 ]  - [   0.0000146200000000,  0.0006996200000000, -0.0009519600000000 ]  - [  -0.0002472000000000,  0.0004190400000000, -0.0007574100000000 ]  - [  -0.0177107900000000, -0.0038903200000000, -0.0015470000000000 ]  - [   0.0002841900000000,  0.0003726800000000,  0.0007110200000000 ]  - [   0.0003051100000000,  0.0004237800000000,  0.0005234100000000 ]  - [   0.0002863200000000,  0.0003472300000000,  0.0011734000000000 ]  - [   0.0410698100000000,  0.0079796700000000,  0.0024198300000000 ]  - [  -0.0000268400000000,  0.0000075400000000, -0.0000260400000000 ]  - [   0.0000728900000000, -0.0000052000000000,  0.0000913900000000 ]  - [  -0.0001038200000000, -0.0001435900000000,  0.0000092000000000 ]  - [   0.0006136100000000,  0.0005582300000000, -0.0009773000000000 ]  - [  -0.0000420200000000, -0.0000199000000000,  0.0000638600000000 ]  - [   0.0005746300000000,  0.0005530000000000, -0.0009348800000000 ]  - [  -0.0000460900000000, -0.0000223200000000,  0.0000650900000000 ]  - [   0.0000012700000000, -0.0000200400000000,  0.0000003800000000 ]  - [  -0.0000441700000000, -0.0001984700000000, -0.0006628800000000 ]  - [  -0.0000142200000000, -0.0000547200000000, -0.0000138500000000 ]  - [  -0.0000579200000000,  0.0000867900000000, -0.0000476500000000 ]  - [  -0.0014980100000000, -0.0022031600000000, -0.0001131400000000 ]  - [   0.0000337200000000, -0.0000148000000000, -0.0000189400000000 ]  - [  -0.0000587400000000,  0.0000105600000000,  0.0000941700000000 ]  - [   0.0000333400000000,  0.0000540700000000, -0.0000146000000000 ]  - [  -0.0002386800000000,  0.0001420800000000, -0.0000424500000000 ]  - [  -0.0002391200000000,  0.0001422100000000, -0.0000392400000000 ]  - [   0.0000706300000000,  0.0001448600000000,  0.0000736400000000 ]  - [   0.0000658200000000,  0.0001440300000000,  0.0000687200000000 ]  - [  -0.0000058800000000,  0.0000157600000000, -0.0000161100000000 ]  - [   0.0001125400000000, -0.0000114200000000, -0.0000622900000000 ]  - [   0.0001159500000000, -0.0000131400000000, -0.0000624900000000 ]  - [  -0.0000073400000000,  0.0000173100000000, -0.0000209700000000 ]  - [  -0.0000492600000000,  0.0000856700000000, -0.0000452400000000 ]  - [  -0.0000041700000000, -0.0000539200000000, -0.0000125700000000 ]  - [  -0.0000415400000000, -0.0002165800000000, -0.0006464100000000 ]  - [   0.0000039800000000, -0.0000199200000000, -0.0000019800000000 ]  - [   0.0000358100000000, -0.0000163100000000, -0.0000213900000000 ]  - [  -0.0014877800000000, -0.0021850900000000, -0.0001503700000000 ]  - [   0.0000408600000000,  0.0000607600000000, -0.0000154000000000 ]  - [  -0.0000561000000000,  0.0000081000000000,  0.0000907900000000 ]  - [  -0.0004022700000000,  0.0006758600000000,  0.0000179300000000 ]  - [  -0.0015279800000000,  0.0017213500000000, -0.0008549200000000 ]  - [   0.0015295600000000,  0.0017533300000000, -0.0005447300000000 ]  - [   0.0000599100000000,  0.0007537200000000,  0.0004644600000000 ]  - [  -0.0000962800000000,  0.0000643500000000, -0.0001320100000000 ]  - [  -0.0000408600000000, -0.0006771000000000,  0.0000389900000000 ]  - [  -0.0002321600000000, -0.0010549600000000,  0.0002399800000000 ]  - [  -0.0000061400000000, -0.0006456500000000, -0.0000803200000000 ]  - [  -0.0001098300000000,  0.0014380400000000, -0.0001144600000000 ]  - [  -0.0000407500000000,  0.0006806200000000,  0.0000393900000000 ]  - [  -0.0002373700000000,  0.0003008700000000,  0.0002354800000000 ]  - [  -0.0000136600000000,  0.0007193000000000, -0.0000786800000000 ]  - [  -0.0015871600000000,  0.0004117600000000, -0.0008419900000000 ]  - [  -0.0004062300000000, -0.0006869600000000,  0.0000054400000000 ]  - [   0.0000604200000000, -0.0006087300000000,  0.0004901700000000 ]  - [   0.0014942100000000,  0.0003835200000000, -0.0004934300000000 ]- atom:   41  displacement:    [   0.0099990780609911,  0.0000000000000000,  0.0001357863402818 ]  forces:  - [   0.0193778100000000, -0.0245611600000000, -0.0164263600000000 ]  - [   0.0001791300000000, -0.0004737600000000,  0.0007732100000000 ]  - [   0.0000092300000000, -0.0004637500000000,  0.0006664500000000 ]  - [   0.0001824600000000, -0.0004142000000000,  0.0006833700000000 ]  - [   0.0000390900000000,  0.0005906300000000, -0.0011957200000000 ]  - [  -0.0002545500000000, -0.0004568200000000, -0.0007536400000000 ]  - [   0.0000408700000000, -0.0005127700000000, -0.0008810500000000 ]  - [  -0.0001695100000000, -0.0004542700000000, -0.0007251600000000 ]  - [  -0.0003979100000000,  0.0005121900000000, -0.0008643500000000 ]  - [  -0.0002377500000000,  0.0005591000000000, -0.0008582700000000 ]  - [   0.0187454400000000, -0.0240443000000000, -0.0182871900000000 ]  - [  -0.0002387600000000,  0.0005032900000000, -0.0007655300000000 ]  - [   0.0004443600000000,  0.0004521300000000,  0.0006733300000000 ]  - [   0.0002555600000000,  0.0005117900000000,  0.0008339300000000 ]  - [   0.0004479500000000,  0.0015419700000000,  0.0003571400000000 ]  - [   0.0001740300000000,  0.0005071300000000,  0.0008018200000000 ]  - [   0.0003849600000000,  0.0002194600000000,  0.0010105200000000 ]  - [   0.0005585500000000, -0.0002653700000000,  0.0010183100000000 ]  - [   0.0005065700000000, -0.0005105000000000,  0.0012169600000000 ]  - [   0.0001285000000000, -0.0004883700000000,  0.0007811400000000 ]  - [  -0.0001945300000000, -0.0006192100000000, -0.0007366100000000 ]  - [   0.0011683800000000,  0.0009308000000000, -0.0001334200000000 ]  - [  -0.0000228400000000, -0.0009277200000000,  0.0001387000000000 ]  - [  -0.0002747600000000, -0.0003785000000000, -0.0006986700000000 ]  - [  -0.0002861200000000,  0.0004849600000000, -0.0007521400000000 ]  - [   0.0001022400000000,  0.0004685200000000, -0.0003122100000000 ]  - [   0.0001268000000000,  0.0007101900000000, -0.0005309500000000 ]  - [  -0.0000263900000000,  0.0012028500000000, -0.0005186300000000 ]  - [   0.0001497900000000,  0.0005863200000000,  0.0008474800000000 ]  - [   0.0003991500000000,  0.0000459400000000,  0.0016875300000000 ]  - [   0.0015984900000000,  0.0019034800000000,  0.0014157500000000 ]  - [   0.0002239100000000,  0.0003438300000000,  0.0008114200000000 ]  - [  -0.0000209900000000, -0.0000088800000000, -0.0000156600000000 ]  - [   0.0001489500000000, -0.0001521200000000,  0.0000603000000000 ]  - [   0.0000949000000000,  0.0000282900000000,  0.0000745200000000 ]  - [   0.0000807100000000,  0.0000847200000000,  0.0000022100000000 ]  - [  -0.0000442100000000,  0.0000297600000000,  0.0000069400000000 ]  - [   0.0026702800000000, -0.0025735100000000,  0.0004038200000000 ]  - [  -0.0000665000000000,  0.0000308300000000, -0.0000108400000000 ]  - [   0.0000609500000000,  0.0000161400000000, -0.0000177900000000 ]  - [  -0.0475980200000000,  0.0478044800000000,  0.0359733000000000 ]  - [   0.0000140800000000,  0.0000079400000000, -0.0000112800000000 ]  - [   0.0000149700000000, -0.0000096000000000, -0.0001067300000000 ]  - [  -0.0000594200000000,  0.0000161000000000, -0.0000344800000000 ]  - [  -0.0000682600000000,  0.0000471700000000, -0.0000120800000000 ]  - [  -0.0008120800000000, -0.0002322800000000, -0.0011554300000000 ]  - [  -0.0008239000000000, -0.0002345400000000, -0.0011637500000000 ]  - [  -0.0000690900000000,  0.0000472000000000, -0.0000099300000000 ]  - [   0.0000842400000000,  0.0000835500000000,  0.0000028200000000 ]  - [   0.0000938800000000,  0.0000259700000000,  0.0000838400000000 ]  - [   0.0001502800000000, -0.0001465100000000,  0.0000669800000000 ]  - [  -0.0000231700000000, -0.0000102300000000, -0.0000178600000000 ]  - [   0.0026671700000000, -0.0025351500000000,  0.0004072600000000 ]  - [  -0.0000416300000000,  0.0000308500000000,  0.0000055000000000 ]  - [   0.0000603900000000,  0.0000198200000000, -0.0000173900000000 ]  - [  -0.0000691200000000,  0.0000322500000000, -0.0000129200000000 ]  - [   0.0002558800000000, -0.0000172300000000, -0.0001006700000000 ]  - [   0.0002605000000000, -0.0000127800000000, -0.0001014600000000 ]  - [   0.0000710400000000, -0.0000663800000000, -0.0000022000000000 ]  - [   0.0000711800000000, -0.0000686400000000, -0.0000025300000000 ]  - [  -0.0000769900000000,  0.0000380500000000, -0.0000584900000000 ]  - [  -0.0000108200000000,  0.0000175100000000,  0.0000155300000000 ]  - [  -0.0000823500000000,  0.0000475400000000, -0.0000594700000000 ]  - [  -0.0000121800000000,  0.0000173600000000,  0.0000140300000000 ]  - [   0.0016437900000000,  0.0003625100000000, -0.0008053800000000 ]  - [   0.0002227200000000,  0.0006440900000000, -0.0000653300000000 ]  - [   0.0003706300000000,  0.0008655500000000, -0.0020434200000000 ]  - [   0.0000177400000000,  0.0006309800000000,  0.0000102800000000 ]  - [   0.0000219600000000, -0.0007223500000000,  0.0000078000000000 ]  - [   0.0003784200000000, -0.0004692000000000, -0.0020867100000000 ]  - [   0.0002188700000000, -0.0007006300000000, -0.0000591100000000 ]  - [   0.0016931200000000, -0.0009928700000000, -0.0008384500000000 ]  - [   0.0000187000000000,  0.0006552500000000, -0.0000208400000000 ]  - [  -0.0022399500000000,  0.0013007900000000,  0.0011654000000000 ]  - [  -0.0001517300000000,  0.0004373800000000,  0.0000309400000000 ]  - [   0.0000286900000000,  0.0005638600000000,  0.0000188100000000 ]  - [   0.0000274100000000, -0.0007870500000000,  0.0000252100000000 ]  - [  -0.0001505800000000, -0.0009184700000000,  0.0000313100000000 ]  - [  -0.0021781700000000, -0.0000357700000000,  0.0011661700000000 ]  - [   0.0000175800000000, -0.0006956200000000, -0.0000199400000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0246673400000000,  0.0820294500000000,  0.0472236600000000 ]  - [   0.0002452400000000, -0.0004734800000000,  0.0007109600000000 ]  - [   0.0002895500000000, -0.0003780700000000,  0.0007702600000000 ]  - [   0.0001172800000000, -0.0004953300000000,  0.0008031300000000 ]  - [   0.0002394900000000,  0.0010401100000000, -0.0007645000000000 ]  - [  -0.0001575000000000, -0.0005041800000000, -0.0008336600000000 ]  - [   0.0004744400000000, -0.0008328900000000, -0.0018015900000000 ]  - [  -0.0002752600000000, -0.0003816300000000, -0.0007115400000000 ]  - [  -0.0001253500000000,  0.0006009800000000, -0.0007795400000000 ]  - [  -0.0002957200000000,  0.0004784400000000, -0.0007487700000000 ]  - [  -0.0234240100000000,  0.0794263500000000,  0.0427817700000000 ]  - [  -0.0001731900000000,  0.0005005400000000, -0.0008435200000000 ]  - [   0.0008825000000000,  0.0001354700000000, -0.0002299900000000 ]  - [   0.0001481800000000,  0.0005929000000000,  0.0008488600000000 ]  - [   0.0006836600000000,  0.0020309500000000,  0.0007781400000000 ]  - [   0.0002616000000000,  0.0004688500000000,  0.0007232800000000 ]  - [   0.0002571600000000, -0.0005396300000000,  0.0007189000000000 ]  - [   0.0002986800000000, -0.0006923800000000,  0.0009454800000000 ]  - [  -0.0002884800000000, -0.0010051000000000,  0.0000962900000000 ]  - [   0.0002414700000000, -0.0004403800000000,  0.0008585700000000 ]  - [  -0.0000684600000000, -0.0005023100000000, -0.0007800200000000 ]  - [   0.0003100900000000, -0.0002824100000000, -0.0003555300000000 ]  - [  -0.0006922700000000, -0.0002269400000000, -0.0014237300000000 ]  - [   0.0000603000000000, -0.0010428300000000, -0.0017364800000000 ]  - [  -0.0001700100000000,  0.0005293800000000, -0.0006940700000000 ]  - [  -0.0006972100000000, -0.0000350900000000, -0.0014537500000000 ]  - [  -0.0001331000000000,  0.0002880300000000, -0.0006180200000000 ]  - [  -0.0001646700000000,  0.0004235100000000, -0.0008354500000000 ]  - [   0.0004740800000000, -0.0000726700000000, -0.0001688300000000 ]  - [  -0.0002693500000000,  0.0007471500000000,  0.0001463100000000 ]  - [   0.0007140100000000,  0.0006934700000000,  0.0011992400000000 ]  - [   0.0003497800000000,  0.0004667000000000,  0.0007812000000000 ]  - [   0.0001235600000000,  0.0000541300000000,  0.0000816600000000 ]  - [  -0.0001756400000000, -0.0008536600000000, -0.0004285300000000 ]  - [   0.0001652000000000,  0.0001376600000000,  0.0000775200000000 ]  - [  -0.0001570100000000,  0.0000084700000000, -0.0000261000000000 ]  - [  -0.0000304800000000,  0.0000123200000000, -0.0000049100000000 ]  - [  -0.0058276700000000,  0.0030616200000000, -0.0023642800000000 ]  - [   0.0001540800000000, -0.0001016600000000,  0.0000612400000000 ]  - [   0.0000070000000000,  0.0000389800000000, -0.0000074900000000 ]  - [   0.0491787200000000, -0.1827774500000000, -0.0986362900000000 ]  - [   0.0000091300000000,  0.0000140800000000, -0.0000009200000000 ]  - [  -0.0000106800000000, -0.0001586800000000, -0.0000173900000000 ]  - [   0.0000154800000000, -0.0000251500000000, -0.0000101900000000 ]  - [  -0.0000480800000000, -0.0001784300000000,  0.0000222700000000 ]  - [   0.0002341900000000, -0.0005376100000000,  0.0004527300000000 ]  - [   0.0002246100000000, -0.0005395700000000,  0.0004367000000000 ]  - [  -0.0000465700000000, -0.0001807100000000,  0.0000243700000000 ]  - [  -0.0001557400000000,  0.0000090100000000, -0.0000254100000000 ]  - [   0.0001640800000000,  0.0001355700000000,  0.0000779300000000 ]  - [  -0.0001852800000000, -0.0008238200000000, -0.0004592500000000 ]  - [   0.0001256900000000,  0.0000552300000000,  0.0000827000000000 ]  - [  -0.0059164300000000,  0.0031306500000000, -0.0023665300000000 ]  - [  -0.0000286500000000,  0.0000111800000000, -0.0000052200000000 ]  - [   0.0000056900000000,  0.0000389700000000, -0.0000061000000000 ]  - [   0.0001550200000000, -0.0001011500000000,  0.0000622600000000 ]  - [  -0.0000189300000000,  0.0004308300000000,  0.0001005200000000 ]  - [  -0.0000173100000000,  0.0004370000000000,  0.0001025700000000 ]  - [  -0.0000663000000000,  0.0002117200000000,  0.0000710000000000 ]  - [  -0.0000674300000000,  0.0002120300000000,  0.0000703900000000 ]  - [  -0.0000395300000000,  0.0006663800000000, -0.0001392100000000 ]  - [  -0.0000184700000000,  0.0000239100000000, -0.0000133600000000 ]  - [  -0.0000401000000000,  0.0006756700000000, -0.0001436200000000 ]  - [  -0.0000192000000000,  0.0000237700000000, -0.0000144400000000 ]  - [   0.0008001500000000, -0.0007804600000000, -0.0004016600000000 ]  - [  -0.0002241800000000,  0.0005201600000000, -0.0000759000000000 ]  - [  -0.0012671000000000, -0.0002869500000000,  0.0067865200000000 ]  - [   0.0000700700000000,  0.0004049100000000,  0.0000557500000000 ]  - [   0.0000690300000000, -0.0009611800000000,  0.0000583800000000 ]  - [  -0.0012783500000000, -0.0016446400000000,  0.0068160200000000 ]  - [  -0.0002237200000000, -0.0008427500000000, -0.0000785300000000 ]  - [   0.0008199500000000, -0.0021398000000000, -0.0004079900000000 ]  - [  -0.0000842000000000,  0.0007622200000000,  0.0000325600000000 ]  - [   0.0049931700000000,  0.0103156800000000,  0.0027806200000000 ]  - [   0.0000097300000000,  0.0008053300000000, -0.0004170200000000 ]  - [  -0.0003466200000000,  0.0009462600000000,  0.0004276200000000 ]  - [  -0.0003454000000000, -0.0004219300000000,  0.0004338900000000 ]  - [   0.0000100700000000, -0.0005623100000000, -0.0004174400000000 ]  - [   0.0049419500000000,  0.0088278500000000,  0.0027126200000000 ]  - [  -0.0000830800000000, -0.0006006400000000,  0.0000328300000000 ]- atom:   41  displacement:    [  -0.0067215292623140,  0.0000000000000000,  0.0074041234711380 ]  forces:  - [  -0.0252939000000000,  0.0502485900000000,  0.0411060300000000 ]  - [   0.0001828600000000, -0.0005040200000000,  0.0007045700000000 ]  - [   0.0005151200000000, -0.0005177900000000,  0.0008267100000000 ]  - [   0.0000699600000000, -0.0005483900000000,  0.0007378000000000 ]  - [  -0.0009710900000000, -0.0023904900000000, -0.0001366000000000 ]  - [  -0.0002659500000000, -0.0004225700000000, -0.0008593200000000 ]  - [  -0.0002956800000000, -0.0003658300000000, -0.0010362500000000 ]  - [  -0.0002536200000000, -0.0005674600000000, -0.0008366600000000 ]  - [   0.0001090500000000,  0.0004582300000000, -0.0007201000000000 ]  - [  -0.0003457700000000,  0.0004240300000000, -0.0008131800000000 ]  - [  -0.0253762000000000,  0.0490037000000000,  0.0387192500000000 ]  - [  -0.0002330900000000,  0.0004717100000000, -0.0008489000000000 ]  - [   0.0001056300000000,  0.0006078100000000,  0.0005191200000000 ]  - [   0.0001639000000000,  0.0004065000000000,  0.0007247300000000 ]  - [  -0.0005794900000000, -0.0014335000000000,  0.0014297400000000 ]  - [   0.0001526700000000,  0.0005506800000000,  0.0006982300000000 ]  - [   0.0000827100000000, -0.0011786800000000,  0.0005333800000000 ]  - [   0.0001439900000000, -0.0006257700000000,  0.0009355900000000 ]  - [   0.0001795000000000, -0.0005166300000000,  0.0002645600000000 ]  - [   0.0002635400000000, -0.0006094300000000,  0.0006315900000000 ]  - [  -0.0002395600000000, -0.0003414900000000, -0.0007831600000000 ]  - [  -0.0008894400000000, -0.0004219100000000, -0.0010059500000000 ]  - [   0.0002031200000000, -0.0008440600000000, -0.0001291700000000 ]  - [  -0.0001293500000000, -0.0006230200000000, -0.0009972500000000 ]  - [  -0.0001521800000000,  0.0003678300000000, -0.0009136900000000 ]  - [  -0.0002243600000000,  0.0004678700000000, -0.0012806100000000 ]  - [  -0.0002786100000000,  0.0003461300000000, -0.0006240800000000 ]  - [  -0.0003256000000000, -0.0001843500000000, -0.0010119000000000 ]  - [   0.0002873000000000,  0.0003428200000000,  0.0005454300000000 ]  - [   0.0006139300000000,  0.0001318200000000,  0.0014165700000000 ]  - [  -0.0004530200000000,  0.0005672000000000,  0.0005604400000000 ]  - [   0.0001757300000000,  0.0006257200000000,  0.0007723800000000 ]  - [   0.0000510900000000,  0.0000096800000000,  0.0000391400000000 ]  - [  -0.0002739500000000,  0.0014846200000000, -0.0008518200000000 ]  - [   0.0000088300000000,  0.0000273100000000,  0.0000007900000000 ]  - [  -0.0000715900000000, -0.0001020200000000, -0.0000593900000000 ]  - [   0.0000478600000000, -0.0000289600000000, -0.0000050900000000 ]  - [  -0.0033640700000000,  0.0020876100000000, -0.0018335100000000 ]  - [   0.0001149900000000, -0.0000781100000000,  0.0000550400000000 ]  - [  -0.0001247100000000, -0.0000056300000000,  0.0000315400000000 ]  - [   0.0597945400000000, -0.1060535000000000, -0.0844828100000000 ]  - [  -0.0000183200000000, -0.0000072300000000,  0.0000364600000000 ]  - [  -0.0000762500000000, -0.0000070600000000,  0.0001502300000000 ]  - [   0.0000138000000000, -0.0000158200000000, -0.0000024400000000 ]  - [   0.0000359500000000, -0.0000515600000000,  0.0000213700000000 ]  - [  -0.0003088600000000, -0.0001727200000000,  0.0000840700000000 ]  - [  -0.0003136000000000, -0.0001768300000000,  0.0000765800000000 ]  - [   0.0000362800000000, -0.0000501200000000,  0.0000245600000000 ]  - [  -0.0000691800000000, -0.0001017200000000, -0.0000610700000000 ]  - [   0.0000070300000000,  0.0000289300000000,  0.0000046600000000 ]  - [  -0.0002626300000000,  0.0015040200000000, -0.0008631700000000 ]  - [   0.0000494600000000,  0.0000101300000000,  0.0000365400000000 ]  - [  -0.0033629300000000,  0.0021272900000000, -0.0018289000000000 ]  - [   0.0000508600000000, -0.0000266500000000, -0.0000046700000000 ]  - [  -0.0001212900000000, -0.0000019200000000,  0.0000319200000000 ]  - [   0.0001148700000000, -0.0000766300000000,  0.0000580500000000 ]  - [  -0.0002530200000000,  0.0000867700000000,  0.0001794000000000 ]  - [  -0.0002489200000000,  0.0000885700000000,  0.0001762100000000 ]  - [  -0.0000490300000000,  0.0000998900000000,  0.0000947000000000 ]  - [  -0.0000502200000000,  0.0000958200000000,  0.0000956200000000 ]  - [   0.0000135200000000,  0.0000717900000000,  0.0000935900000000 ]  - [   0.0000194200000000, -0.0000010700000000, -0.0000057700000000 ]  - [   0.0000087900000000,  0.0000837000000000,  0.0000865100000000 ]  - [   0.0000178400000000, -0.0000021300000000, -0.0000062900000000 ]  - [  -0.0017448200000000,  0.0009271300000000,  0.0001040200000000 ]  - [  -0.0000923200000000,  0.0004450100000000, -0.0000181800000000 ]  - [  -0.0011232600000000,  0.0008909900000000,  0.0050946500000000 ]  - [   0.0000441500000000,  0.0007299800000000,  0.0000543800000000 ]  - [   0.0000483300000000, -0.0006433700000000,  0.0000481600000000 ]  - [  -0.0011322700000000, -0.0004577400000000,  0.0051574500000000 ]  - [  -0.0000957300000000, -0.0009213900000000, -0.0000166100000000 ]  - [  -0.0016811600000000, -0.0004530500000000,  0.0000820100000000 ]  - [  -0.0000034600000000,  0.0007043900000000,  0.0000881700000000 ]  - [   0.0036240800000000,  0.0031160100000000, -0.0008289800000000 ]  - [   0.0002945900000000,  0.0009346700000000,  0.0000640400000000 ]  - [  -0.0002206800000000,  0.0008341700000000,  0.0001760100000000 ]  - [  -0.0002220200000000, -0.0005298700000000,  0.0001792300000000 ]  - [   0.0003012100000000, -0.0004394100000000,  0.0000644500000000 ]  - [   0.0036473000000000,  0.0017535700000000, -0.0008399800000000 ]  - [  -0.0000025900000000, -0.0006628200000000,  0.0000898100000000 ]- atom:   65  displacement:    [   0.0099990780609911,  0.0000000000000000,  0.0001357863402818 ]  forces:  - [   0.0018419100000000,  0.0004438000000000,  0.0007195100000000 ]  - [  -0.0011022100000000, -0.0009928000000000,  0.0006081300000000 ]  - [   0.0003334900000000, -0.0002001400000000,  0.0015926100000000 ]  - [   0.0004869000000000, -0.0002204100000000, -0.0002604000000000 ]  - [   0.0202426500000000, -0.0218227700000000,  0.0005483000000000 ]  - [  -0.0009994600000000, -0.0003821400000000, -0.0009243900000000 ]  - [  -0.0009132200000000,  0.0000315000000000,  0.0014091900000000 ]  - [  -0.0001285600000000, -0.0002339900000000, -0.0018772800000000 ]  - [   0.0024913400000000,  0.0005463200000000, -0.0013089200000000 ]  - [  -0.0006383900000000,  0.0003892600000000, -0.0007974700000000 ]  - [  -0.0012148200000000,  0.0007215500000000,  0.0012688100000000 ]  - [  -0.0011014000000000,  0.0007124800000000, -0.0020211200000000 ]  - [   0.0017262100000000,  0.0009119800000000,  0.0003713200000000 ]  - [  -0.0004115700000000,  0.0008587500000000,  0.0008169100000000 ]  - [  -0.0003115400000000,  0.0002523800000000,  0.0016770300000000 ]  - [  -0.0001631500000000,  0.0004967300000000,  0.0000128000000000 ]  - [   0.0199508200000000,  0.0197704900000000,  0.0020069900000000 ]  - [  -0.0005772300000000, -0.0005785400000000,  0.0006343000000000 ]  - [  -0.0004879500000000, -0.0010083200000000,  0.0029525100000000 ]  - [   0.0002974200000000, -0.0007347200000000, -0.0003140000000000 ]  - [   0.0013923800000000, -0.0013860500000000, -0.0008292200000000 ]  - [  -0.0015231600000000,  0.0000283100000000, -0.0009552600000000 ]  - [  -0.0000923000000000, -0.0007672100000000,  0.0000296300000000 ]  - [   0.0000563800000000, -0.0007452800000000, -0.0018139900000000 ]  - [  -0.0007386400000000,  0.0007166600000000,  0.0001202900000000 ]  - [  -0.0005808200000000,  0.0004828800000000, -0.0015515700000000 ]  - [   0.0013120100000000,  0.0000444400000000, -0.0011897800000000 ]  - [  -0.0008369600000000,  0.0001024500000000, -0.0007431100000000 ]  - [  -0.0007955300000000,  0.0002636300000000,  0.0028114300000000 ]  - [  -0.0006836000000000,  0.0002483000000000, -0.0004562000000000 ]  - [   0.0029000100000000,  0.0004646300000000,  0.0003164800000000 ]  - [  -0.0002190300000000,  0.0005789900000000,  0.0007554400000000 ]  - [   0.0006910800000000,  0.0003287100000000,  0.0000844700000000 ]  - [   0.0067134200000000,  0.0009646700000000,  0.0039600800000000 ]  - [  -0.0011712700000000, -0.0003443500000000,  0.0009644600000000 ]  - [  -0.0001802600000000, -0.0000006600000000, -0.0000701900000000 ]  - [   0.0066454500000000, -0.0009984400000000,  0.0039296700000000 ]  - [   0.0006961900000000, -0.0003290500000000,  0.0000791200000000 ]  - [  -0.0001803100000000, -0.0000000400000000, -0.0000702000000000 ]  - [  -0.0011878700000000,  0.0003497300000000,  0.0009493200000000 ]  - [   0.0016918600000000,  0.0008064200000000, -0.0008116100000000 ]  - [   0.0002179400000000, -0.0002239100000000,  0.0000713700000000 ]  - [   0.0003625200000000, -0.0011909400000000, -0.0011074300000000 ]  - [   0.0000207400000000,  0.0000719600000000,  0.0000786100000000 ]  - [   0.0016464200000000, -0.0007985300000000, -0.0007857600000000 ]  - [   0.0002235100000000,  0.0002281200000000,  0.0000713400000000 ]  - [   0.0003610100000000,  0.0011696200000000, -0.0011037800000000 ]  - [   0.0000188700000000, -0.0000712000000000,  0.0000838600000000 ]  - [  -0.0013426900000000, -0.0018691400000000, -0.0013557300000000 ]  - [   0.0003327700000000,  0.0001379000000000,  0.0002499400000000 ]  - [   0.0000051000000000,  0.0001058600000000, -0.0003076500000000 ]  - [   0.0004073200000000,  0.0001454200000000,  0.0003559200000000 ]  - [  -0.0013497600000000,  0.0018993000000000, -0.0013650800000000 ]  - [   0.0003335000000000, -0.0001405800000000,  0.0002474300000000 ]  - [   0.0000049100000000, -0.0001017300000000, -0.0003087500000000 ]  - [   0.0004067900000000, -0.0001451000000000,  0.0003567700000000 ]  - [  -0.0022348000000000,  0.0050020900000000,  0.0028765500000000 ]  - [   0.0000162900000000, -0.0000829700000000,  0.0000124100000000 ]  - [   0.0000323900000000, -0.0003386800000000, -0.0002635500000000 ]  - [  -0.0001535700000000,  0.0000040200000000,  0.0002637600000000 ]  - [  -0.0022294400000000, -0.0050080400000000,  0.0028654600000000 ]  - [   0.0000169100000000,  0.0000824700000000,  0.0000168000000000 ]  - [   0.0000312100000000,  0.0003436100000000, -0.0002659700000000 ]  - [  -0.0001560500000000, -0.0000040300000000,  0.0002631300000000 ]  - [  -0.0669935900000000,  0.0017065900000000, -0.0016917100000000 ]  - [   0.0010865400000000,  0.0006808800000000, -0.0001387000000000 ]  - [   0.0012517500000000,  0.0006770000000000, -0.0029791800000000 ]  - [  -0.0000182000000000,  0.0006841500000000,  0.0017613700000000 ]  - [   0.0013534200000000, -0.0010650200000000, -0.0011310600000000 ]  - [   0.0009391800000000,  0.0024913900000000,  0.0048538600000000 ]  - [   0.0009318000000000, -0.0038276100000000,  0.0048035700000000 ]  - [   0.0013599100000000, -0.0002922200000000, -0.0011344400000000 ]  - [   0.0012350600000000,  0.0013224300000000,  0.0000588000000000 ]  - [   0.0012315400000000,  0.0000387100000000,  0.0000672600000000 ]  - [  -0.0004627300000000,  0.0005356900000000,  0.0001462800000000 ]  - [  -0.0004642800000000,  0.0008244900000000,  0.0001428600000000 ]  - [   0.0032403300000000,  0.0048955100000000, -0.0098922500000000 ]  - [   0.0009440200000000, -0.0009978100000000,  0.0007510800000000 ]  - [   0.0032230400000000, -0.0062915200000000, -0.0099368700000000 ]  - [   0.0009400500000000, -0.0003683500000000,  0.0007453800000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000226000000000, -0.0015650700000000,  0.0006438300000000 ]  - [  -0.0000092600000000, -0.0013371500000000,  0.0007714900000000 ]  - [   0.0000165100000000, -0.0004054000000000,  0.0005045400000000 ]  - [  -0.0003274500000000, -0.0011674600000000,  0.0017629700000000 ]  - [  -0.0150372600000000,  0.0253424400000000, -0.0030673100000000 ]  - [  -0.0002428600000000, -0.0005213300000000, -0.0007833200000000 ]  - [  -0.0004023600000000, -0.0000443300000000,  0.0002206600000000 ]  - [  -0.0004078200000000, -0.0003607200000000, -0.0012421000000000 ]  - [   0.0008343500000000,  0.0079115600000000, -0.0088352400000000 ]  - [  -0.0001807400000000,  0.0005401900000000, -0.0009705400000000 ]  - [   0.0002655600000000,  0.0011826200000000, -0.0012950300000000 ]  - [  -0.0008528700000000,  0.0012677600000000, -0.0012455900000000 ]  - [   0.0001820600000000, -0.0005728200000000,  0.0006955000000000 ]  - [   0.0002858800000000,  0.0003480000000000,  0.0008410800000000 ]  - [  -0.0001481000000000,  0.0000643200000000,  0.0005859700000000 ]  - [   0.0009007500000000, -0.0012163000000000,  0.0006191800000000 ]  - [   0.0150372600000000,  0.0253424400000000,  0.0030673100000000 ]  - [   0.0002428600000000, -0.0005213300000000,  0.0007833200000000 ]  - [   0.0004023600000000, -0.0000443300000000, -0.0002206600000000 ]  - [   0.0004078200000000, -0.0003607200000000,  0.0012421000000000 ]  - [  -0.0000226000000000, -0.0015650700000000, -0.0006438300000000 ]  - [   0.0000092600000000, -0.0013371500000000, -0.0007714900000000 ]  - [  -0.0000165100000000, -0.0004054000000000, -0.0005045400000000 ]  - [   0.0003274500000000, -0.0011674600000000, -0.0017629700000000 ]  - [   0.0001481000000000,  0.0000643200000000, -0.0005859700000000 ]  - [  -0.0009007500000000, -0.0012163000000000, -0.0006191800000000 ]  - [  -0.0001820600000000, -0.0005728200000000, -0.0006955000000000 ]  - [  -0.0002858800000000,  0.0003480000000000, -0.0008410800000000 ]  - [  -0.0002655600000000,  0.0011826200000000,  0.0012950300000000 ]  - [   0.0008528700000000,  0.0012677600000000,  0.0012455900000000 ]  - [  -0.0008343500000000,  0.0079115600000000,  0.0088352400000000 ]  - [   0.0001807400000000,  0.0005401900000000,  0.0009705400000000 ]  - [  -0.0000221700000000, -0.0000962300000000, -0.0000273000000000 ]  - [  -0.0056133600000000, -0.0024153500000000, -0.0036632800000000 ]  - [   0.0002965600000000,  0.0003083000000000,  0.0016956600000000 ]  - [  -0.0001819000000000, -0.0000920300000000, -0.0000659000000000 ]  - [   0.0056133600000000, -0.0024153500000000,  0.0036632800000000 ]  - [   0.0000221700000000, -0.0000962300000000,  0.0000273000000000 ]  - [   0.0001819000000000, -0.0000920300000000,  0.0000659000000000 ]  - [  -0.0002965600000000,  0.0003083000000000, -0.0016956600000000 ]  - [  -0.0003261800000000, -0.0014698000000000,  0.0000341800000000 ]  - [  -0.0000232300000000, -0.0001593100000000, -0.0003449000000000 ]  - [   0.0001953000000000, -0.0009863100000000,  0.0004574200000000 ]  - [  -0.0000466100000000, -0.0002762600000000,  0.0000158500000000 ]  - [   0.0003261800000000, -0.0014698000000000, -0.0000341800000000 ]  - [   0.0000232300000000, -0.0001593100000000,  0.0003449000000000 ]  - [  -0.0001953000000000, -0.0009863100000000, -0.0004574200000000 ]  - [   0.0000466100000000, -0.0002762600000000, -0.0000158500000000 ]  - [   0.0005958600000000,  0.0019719500000000,  0.0015699000000000 ]  - [   0.0000017200000000, -0.0000437300000000,  0.0000060400000000 ]  - [   0.0002324000000000,  0.0000821600000000, -0.0003010200000000 ]  - [   0.0000164900000000,  0.0001174600000000,  0.0000642900000000 ]  - [  -0.0005958600000000,  0.0019719500000000, -0.0015699000000000 ]  - [  -0.0000017200000000, -0.0000437300000000, -0.0000060400000000 ]  - [  -0.0002324000000000,  0.0000821600000000,  0.0003010200000000 ]  - [  -0.0000164900000000,  0.0001174600000000, -0.0000642900000000 ]  - [   0.0005530900000000,  0.0095432200000000,  0.0038082900000000 ]  - [  -0.0000203800000000,  0.0000853400000000,  0.0000059300000000 ]  - [  -0.0001135700000000,  0.0002664100000000,  0.0001034000000000 ]  - [  -0.0002402700000000,  0.0001236900000000,  0.0001152700000000 ]  - [  -0.0005530900000000,  0.0095432200000000, -0.0038082900000000 ]  - [   0.0000203800000000,  0.0000853400000000, -0.0000059300000000 ]  - [   0.0001135700000000,  0.0002664100000000, -0.0001034000000000 ]  - [   0.0002402700000000,  0.0001236900000000, -0.0001152700000000 ]  - [   0.0000000000000000, -0.0945111600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0005691100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002384700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000867800000000,  0.0000000000000000 ]  - [  -0.0003866600000000, -0.0005845000000000,  0.0000154200000000 ]  - [   0.0030988100000000,  0.0026024500000000,  0.0050669600000000 ]  - [  -0.0030988100000000,  0.0026024500000000, -0.0050669600000000 ]  - [   0.0003866600000000, -0.0005845000000000, -0.0000154200000000 ]  - [  -0.0006465000000000,  0.0032668100000000, -0.0002627700000000 ]  - [   0.0006465000000000,  0.0032668100000000,  0.0002627700000000 ]  - [   0.0001504100000000,  0.0014837600000000, -0.0000421300000000 ]  - [  -0.0001504100000000,  0.0014837600000000,  0.0000421300000000 ]  - [   0.0057326100000000,  0.0040316800000000, -0.0108134400000000 ]  - [  -0.0003149000000000, -0.0003308200000000,  0.0001752600000000 ]  - [  -0.0057326100000000,  0.0040316800000000,  0.0108134400000000 ]  - [   0.0003149000000000, -0.0003308200000000, -0.0001752600000000 ]- atom:   65  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003964200000000,  0.0006163900000000,  0.0009192300000000 ]  - [   0.0004262700000000,  0.0003629500000000,  0.0007910800000000 ]  - [   0.0003995300000000, -0.0005515200000000,  0.0010548400000000 ]  - [   0.0007417500000000,  0.0001940200000000, -0.0001955200000000 ]  - [   0.0157899700000000, -0.0274366700000000,  0.0016541300000000 ]  - [  -0.0001747800000000, -0.0004465500000000, -0.0007800700000000 ]  - [  -0.0000201800000000, -0.0009313300000000, -0.0017750700000000 ]  - [  -0.0000143500000000, -0.0006065500000000, -0.0003218800000000 ]  - [  -0.0012640000000000, -0.0069067100000000,  0.0074475800000000 ]  - [  -0.0002336900000000,  0.0004277100000000, -0.0005904000000000 ]  - [  -0.0006761500000000, -0.0002229500000000, -0.0002676300000000 ]  - [   0.0004291500000000, -0.0002911100000000, -0.0003248700000000 ]  - [   0.0002196900000000,  0.0015525200000000,  0.0008599700000000 ]  - [   0.0001329400000000,  0.0006234700000000,  0.0007272800000000 ]  - [   0.0005639900000000,  0.0009046300000000,  0.0009723800000000 ]  - [  -0.0004799800000000,  0.0021836700000000,  0.0009428300000000 ]  - [  -0.0157899700000000, -0.0274366700000000, -0.0016541300000000 ]  - [   0.0001747800000000, -0.0004465500000000,  0.0007800700000000 ]  - [   0.0000201800000000, -0.0009313300000000,  0.0017750700000000 ]  - [   0.0000143500000000, -0.0006065500000000,  0.0003218800000000 ]  - [  -0.0003964200000000,  0.0006163900000000, -0.0009192300000000 ]  - [  -0.0004262700000000,  0.0003629500000000, -0.0007910800000000 ]  - [  -0.0003995300000000, -0.0005515200000000, -0.0010548400000000 ]  - [  -0.0007417500000000,  0.0001940200000000,  0.0001955200000000 ]  - [  -0.0005639900000000,  0.0009046300000000, -0.0009723800000000 ]  - [   0.0004799800000000,  0.0021836700000000, -0.0009428300000000 ]  - [  -0.0002196900000000,  0.0015525200000000, -0.0008599700000000 ]  - [  -0.0001329400000000,  0.0006234700000000, -0.0007272800000000 ]  - [   0.0006761500000000, -0.0002229500000000,  0.0002676300000000 ]  - [  -0.0004291500000000, -0.0002911100000000,  0.0003248700000000 ]  - [   0.0012640000000000, -0.0069067100000000, -0.0074475800000000 ]  - [   0.0002336900000000,  0.0004277100000000,  0.0005904000000000 ]  - [   0.0000275700000000,  0.0000981500000000,  0.0000311800000000 ]  - [   0.0056236000000000,  0.0023960000000000,  0.0036587600000000 ]  - [  -0.0002647400000000, -0.0002997400000000, -0.0016971700000000 ]  - [   0.0001827900000000,  0.0000933400000000,  0.0000657600000000 ]  - [  -0.0056236000000000,  0.0023960000000000, -0.0036587600000000 ]  - [  -0.0000275700000000,  0.0000981500000000, -0.0000311800000000 ]  - [  -0.0001827900000000,  0.0000933400000000, -0.0000657600000000 ]  - [   0.0002647400000000, -0.0002997400000000,  0.0016971700000000 ]  - [   0.0003055100000000,  0.0014484500000000, -0.0000322200000000 ]  - [   0.0000257300000000,  0.0001587700000000,  0.0003398200000000 ]  - [  -0.0001860800000000,  0.0009407500000000, -0.0004757500000000 ]  - [   0.0000465900000000,  0.0002742400000000, -0.0000173000000000 ]  - [  -0.0003055100000000,  0.0014484500000000,  0.0000322200000000 ]  - [  -0.0000257300000000,  0.0001587700000000, -0.0003398200000000 ]  - [   0.0001860800000000,  0.0009407500000000,  0.0004757500000000 ]  - [  -0.0000465900000000,  0.0002742400000000,  0.0000173000000000 ]  - [  -0.0006058800000000, -0.0019366300000000, -0.0015450700000000 ]  - [  -0.0000030700000000,  0.0000443700000000, -0.0000022900000000 ]  - [  -0.0002314300000000, -0.0000789600000000,  0.0002968500000000 ]  - [  -0.0000160200000000, -0.0001165100000000, -0.0000663300000000 ]  - [   0.0006058800000000, -0.0019366300000000,  0.0015450700000000 ]  - [   0.0000030700000000,  0.0000443700000000,  0.0000022900000000 ]  - [   0.0002314300000000, -0.0000789600000000, -0.0002968500000000 ]  - [   0.0000160200000000, -0.0001165100000000,  0.0000663300000000 ]  - [  -0.0006092500000000, -0.0096068100000000, -0.0038259600000000 ]  - [   0.0000204600000000, -0.0000806000000000, -0.0000084500000000 ]  - [   0.0001135700000000, -0.0002610100000000, -0.0001020100000000 ]  - [   0.0002416600000000, -0.0001234600000000, -0.0001139400000000 ]  - [   0.0006092500000000, -0.0096068100000000,  0.0038259600000000 ]  - [  -0.0000204600000000, -0.0000806000000000,  0.0000084500000000 ]  - [  -0.0001135700000000, -0.0002610100000000,  0.0001020100000000 ]  - [  -0.0002416600000000, -0.0001234600000000,  0.0001139400000000 ]  - [   0.0000000000000000,  0.0981503500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0007879500000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0011143600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0014495300000000,  0.0000000000000000 ]  - [   0.0003898900000000, -0.0007822100000000, -0.0000156600000000 ]  - [  -0.0030770900000000, -0.0039987800000000, -0.0050358900000000 ]  - [   0.0030770900000000, -0.0039987800000000,  0.0050358900000000 ]  - [  -0.0003898900000000, -0.0007822100000000,  0.0000156600000000 ]  - [   0.0006321000000000, -0.0018813400000000,  0.0002657900000000 ]  - [  -0.0006321000000000, -0.0018813400000000, -0.0002657900000000 ]  - [  -0.0001439500000000, -0.0001141800000000,  0.0000275100000000 ]  - [   0.0001439500000000, -0.0001141800000000, -0.0000275100000000 ]  - [  -0.0057558000000000, -0.0053711800000000,  0.0108666200000000 ]  - [   0.0003151400000000, -0.0010257100000000, -0.0001733100000000 ]  - [   0.0057558000000000, -0.0053711800000000, -0.0108666200000000 ]  - [  -0.0003151400000000, -0.0010257100000000,  0.0001733100000000 ]- atom:   65  displacement:    [  -0.0067215292623140,  0.0000000000000000,  0.0074041234711380 ]  forces:  - [  -0.0011532600000000, -0.0009350400000000,  0.0015818200000000 ]  - [   0.0012228900000000, -0.0001518100000000,  0.0007216000000000 ]  - [   0.0007083500000000, -0.0015522600000000, -0.0004829200000000 ]  - [  -0.0004746200000000, -0.0004243100000000,  0.0009193100000000 ]  - [  -0.0126680300000000,  0.0107659600000000,  0.0032151300000000 ]  - [   0.0003041300000000, -0.0005943300000000, -0.0010561100000000 ]  - [   0.0019417500000000, -0.0001487300000000, -0.0030384800000000 ]  - [  -0.0015299200000000, -0.0006460700000000, -0.0006507100000000 ]  - [  -0.0030761000000000, -0.0030098500000000,  0.0071774000000000 ]  - [  -0.0002329900000000,  0.0004380600000000, -0.0017547300000000 ]  - [   0.0019886000000000,  0.0003061400000000, -0.0020533700000000 ]  - [  -0.0000202200000000,  0.0002693400000000, -0.0000391200000000 ]  - [  -0.0008586000000000,  0.0004242700000000,  0.0017506600000000 ]  - [   0.0007906400000000,  0.0000835700000000,  0.0002849800000000 ]  - [   0.0012083300000000,  0.0005591500000000,  0.0001563000000000 ]  - [  -0.0006440900000000,  0.0014013300000000,  0.0012351500000000 ]  - [  -0.0124518600000000, -0.0120353300000000,  0.0046411200000000 ]  - [   0.0007323300000000, -0.0003738400000000,  0.0004832500000000 ]  - [   0.0023650900000000, -0.0008156700000000, -0.0015133300000000 ]  - [  -0.0010998100000000, -0.0003148500000000,  0.0009096600000000 ]  - [  -0.0016095600000000, -0.0000215600000000,  0.0000384500000000 ]  - [   0.0007892900000000, -0.0008242800000000, -0.0008342600000000 ]  - [   0.0002792900000000,  0.0005745600000000, -0.0020211900000000 ]  - [  -0.0009097800000000, -0.0005512400000000, -0.0006034500000000 ]  - [   0.0007806300000000,  0.0004114700000000, -0.0013773300000000 ]  - [  -0.0010558500000000, -0.0004346000000000, -0.0003159700000000 ]  - [  -0.0012774600000000,  0.0005391000000000,  0.0001941800000000 ]  - [   0.0003497200000000,  0.0008889300000000, -0.0012638200000000 ]  - [   0.0024219000000000,  0.0006837300000000, -0.0005169800000000 ]  - [   0.0004132000000000,  0.0006972700000000,  0.0015093000000000 ]  - [  -0.0025378200000000,  0.0037600300000000,  0.0079388300000000 ]  - [   0.0001865700000000,  0.0005402700000000, -0.0002254000000000 ]  - [  -0.0007460000000000, -0.0003742200000000, -0.0002979000000000 ]  - [  -0.0031620700000000, -0.0008684200000000, -0.0023079300000000 ]  - [   0.0053804100000000,  0.0020402300000000,  0.0030056500000000 ]  - [   0.0000144400000000, -0.0000195300000000,  0.0004331000000000 ]  - [  -0.0031453900000000,  0.0008478700000000, -0.0022957100000000 ]  - [  -0.0007453000000000,  0.0003731600000000, -0.0002930000000000 ]  - [   0.0000121900000000,  0.0000228800000000,  0.0004316100000000 ]  - [   0.0054084100000000, -0.0020524400000000,  0.0030191500000000 ]  - [  -0.0017141400000000, -0.0008442400000000,  0.0000781700000000 ]  - [  -0.0001925900000000,  0.0000904300000000, -0.0001070900000000 ]  - [  -0.0018535500000000,  0.0059090000000000,  0.0045266400000000 ]  - [  -0.0000082000000000, -0.0000019100000000,  0.0000031400000000 ]  - [  -0.0017506400000000,  0.0008455800000000,  0.0000808400000000 ]  - [  -0.0001932600000000, -0.0000929200000000, -0.0001049100000000 ]  - [  -0.0018318800000000, -0.0058738600000000,  0.0044403600000000 ]  - [  -0.0000088800000000,  0.0000039300000000,  0.0000040500000000 ]  - [   0.0007663900000000,  0.0015433200000000,  0.0006668600000000 ]  - [  -0.0001776700000000, -0.0000559200000000, -0.0000749200000000 ]  - [  -0.0004164800000000, -0.0003446800000000,  0.0000737500000000 ]  - [   0.0001831200000000,  0.0000687900000000,  0.0000931700000000 ]  - [   0.0007618500000000, -0.0015146100000000,  0.0006632000000000 ]  - [  -0.0001741400000000,  0.0000531600000000, -0.0000796700000000 ]  - [  -0.0004194000000000,  0.0003487600000000,  0.0000723600000000 ]  - [   0.0001829800000000, -0.0000746900000000,  0.0000919100000000 ]  - [   0.0023745000000000, -0.0012887300000000, -0.0019654700000000 ]  - [  -0.0000285800000000,  0.0000836200000000,  0.0000667200000000 ]  - [  -0.0000064300000000,  0.0005512500000000,  0.0003689800000000 ]  - [   0.0001263700000000, -0.0003159600000000, -0.0000940900000000 ]  - [   0.0023808400000000,  0.0013256800000000, -0.0019983500000000 ]  - [  -0.0000277000000000, -0.0000823300000000,  0.0000712900000000 ]  - [  -0.0000076300000000, -0.0005497800000000,  0.0003694000000000 ]  - [   0.0001242400000000,  0.0003162200000000, -0.0000898400000000 ]  - [   0.0443330000000000,  0.0012682200000000, -0.0408569000000000 ]  - [  -0.0008496100000000,  0.0006758300000000,  0.0010523600000000 ]  - [  -0.0030980200000000,  0.0006759900000000,  0.0036170900000000 ]  - [   0.0013268900000000,  0.0006793800000000, -0.0008565300000000 ]  - [  -0.0017779300000000, -0.0004026000000000,  0.0017708300000000 ]  - [   0.0029718900000000,  0.0009749300000000, -0.0022259400000000 ]  - [   0.0029826800000000, -0.0023572100000000, -0.0022022300000000 ]  - [  -0.0017741600000000, -0.0009484200000000,  0.0017746400000000 ]  - [  -0.0007687700000000,  0.0004467400000000, -0.0006757500000000 ]  - [  -0.0007794900000000,  0.0009139600000000, -0.0006629800000000 ]  - [   0.0004117300000000,  0.0008016600000000,  0.0003514600000000 ]  - [   0.0004190700000000,  0.0005539200000000,  0.0003464700000000 ]  - [  -0.0096529000000000, -0.0126415900000000,  0.0072154600000000 ]  - [  -0.0000831000000000, -0.0003351100000000,  0.0001594600000000 ]  - [  -0.0095745400000000,  0.0111311600000000,  0.0071744400000000 ]  - [  -0.0000753300000000, -0.0010159100000000,  0.0001566800000000 ]