# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ecf707b4-5238-4800-95e6-a4eb3ed10d3e/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 Ga2Se3 / Cc (9) / materials id 1340](https://mdr.nims.go.jp/datasets/5290133d-b751-4ffb-ab3a-112417a2cf18)

## 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: "Cc"  number: 9  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:  - [     3.319937580000000,    -5.828614440000000,    -0.006283215000000 ] # a  - [     3.319937580000000,     5.828614440000000,    -0.006283215000000 ] # b  - [    -2.113398320000000,     0.000000000000000,     6.283918530000000 ] # c  points:  - symbol: Ga # 1    coordinates: [  0.720990720000000,  0.218314320000000,  0.495049560000000 ]    mass: 69.723000  - symbol: Ga # 2    coordinates: [  0.218314320000000,  0.720990720000000,  0.995049560000000 ]    mass: 69.723000  - symbol: Ga # 3    coordinates: [  0.414540550000000,  0.585705870000000,  0.498771050000000 ]    mass: 69.723000  - symbol: Ga # 4    coordinates: [  0.585705870000000,  0.414540550000000,  0.998771050000000 ]    mass: 69.723000  - symbol: Se # 5    coordinates: [  0.250617580000000,  0.406408740000000,  0.111019960000000 ]    mass: 78.960000  - symbol: Se # 6    coordinates: [  0.406408740000000,  0.250617580000000,  0.611019960000000 ]    mass: 78.960000  - symbol: Se # 7    coordinates: [  0.789185550000000,  0.953839450000000,  0.641589500000000 ]    mass: 78.960000  - symbol: Se # 8    coordinates: [  0.953839450000000,  0.789185550000000,  0.141589500000000 ]    mass: 78.960000  - symbol: Se # 9    coordinates: [  0.097317230000000,  0.622679990000000,  0.605969920000000 ]    mass: 78.960000  - symbol: Se # 10    coordinates: [  0.622679990000000,  0.097317230000000,  0.105969920000000 ]    mass: 78.960000  reciprocal_lattice: # without 2pi  - [     0.150701163462312,    -0.085783680692388,     0.050683595619960 ] # a*  - [     0.150701163462312,     0.085783680692388,     0.050683595619960 ] # b*  - [     0.000301368582760,     0.000000000000000,     0.159237728350451 ] # c*unit_cell:  lattice:  - [     6.639875160000000,     0.000000000000000,    -0.012566430000000 ] # a  - [     0.000000000000000,    11.657228880000000,     0.000000000000000 ] # b  - [    -2.113398320000000,     0.000000000000000,     6.283918530000000 ] # c  points:  - symbol: Ga # 1    coordinates: [  0.969652520000000,  0.248661800000000,  0.495049560000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 2    coordinates: [  0.469652520000000,  0.251338200000000,  0.995049560000000 ]    mass: 69.723000    reduced_to: 2  - symbol: Ga # 3    coordinates: [  0.500123210000000,  0.085582660000000,  0.498771050000000 ]    mass: 69.723000    reduced_to: 3  - symbol: Ga # 4    coordinates: [  0.000123210000000,  0.414417340000000,  0.998771050000000 ]    mass: 69.723000    reduced_to: 4  - symbol: Ga # 5    coordinates: [  0.469652520000000,  0.748661800000000,  0.495049560000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 6    coordinates: [  0.969652520000000,  0.751338200000000,  0.995049560000000 ]    mass: 69.723000    reduced_to: 2  - symbol: Ga # 7    coordinates: [  0.000123210000000,  0.585582660000000,  0.498771050000000 ]    mass: 69.723000    reduced_to: 3  - symbol: Ga # 8    coordinates: [  0.500123210000000,  0.914417340000000,  0.998771050000000 ]    mass: 69.723000    reduced_to: 4  - symbol: Se # 9    coordinates: [  0.328513160000000,  0.077895580000000,  0.111019960000000 ]    mass: 78.960000    reduced_to: 9  - symbol: Se # 10    coordinates: [  0.828513160000000,  0.422104420000000,  0.611019960000000 ]    mass: 78.960000    reduced_to: 10  - symbol: Se # 11    coordinates: [  0.871512500000000,  0.082326950000000,  0.641589500000000 ]    mass: 78.960000    reduced_to: 11  - symbol: Se # 12    coordinates: [  0.371512500000000,  0.417673050000000,  0.141589500000000 ]    mass: 78.960000    reduced_to: 12  - symbol: Se # 13    coordinates: [  0.359998610000000,  0.262681380000000,  0.605969920000000 ]    mass: 78.960000    reduced_to: 13  - symbol: Se # 14    coordinates: [  0.859998610000000,  0.237318620000000,  0.105969920000000 ]    mass: 78.960000    reduced_to: 14  - symbol: Se # 15    coordinates: [  0.828513160000000,  0.577895580000000,  0.111019960000000 ]    mass: 78.960000    reduced_to: 9  - symbol: Se # 16    coordinates: [  0.328513160000000,  0.922104420000000,  0.611019960000000 ]    mass: 78.960000    reduced_to: 10  - symbol: Se # 17    coordinates: [  0.371512500000000,  0.582326950000000,  0.641589500000000 ]    mass: 78.960000    reduced_to: 11  - symbol: Se # 18    coordinates: [  0.871512500000000,  0.917673050000000,  0.141589500000000 ]    mass: 78.960000    reduced_to: 12  - symbol: Se # 19    coordinates: [  0.859998610000000,  0.762681380000000,  0.605969920000000 ]    mass: 78.960000    reduced_to: 13  - symbol: Se # 20    coordinates: [  0.359998610000000,  0.737318620000000,  0.105969920000000 ]    mass: 78.960000    reduced_to: 14supercell:  lattice:  - [    13.279750320000000,     0.000000000000000,    -0.025132860000000 ] # a  - [     0.000000000000000,    11.657228880000000,     0.000000000000000 ] # b  - [    -4.226796640000000,     0.000000000000000,    12.567837060000000 ] # c  points:  - symbol: Ga # 1    coordinates: [  0.484826260000000,  0.248661800000000,  0.247524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 2    coordinates: [  0.984826260000000,  0.248661800000000,  0.247524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 3    coordinates: [  0.484826260000000,  0.248661800000000,  0.747524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 4    coordinates: [  0.984826260000000,  0.248661800000000,  0.747524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 5    coordinates: [  0.234826260000000,  0.251338200000000,  0.497524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 6    coordinates: [  0.734826260000000,  0.251338200000000,  0.497524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 7    coordinates: [  0.234826260000000,  0.251338200000000,  0.997524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 8    coordinates: [  0.734826260000000,  0.251338200000000,  0.997524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 9    coordinates: [  0.250061605000000,  0.085582660000000,  0.249385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 10    coordinates: [  0.750061605000000,  0.085582660000000,  0.249385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 11    coordinates: [  0.250061605000000,  0.085582660000000,  0.749385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 12    coordinates: [  0.750061605000000,  0.085582660000000,  0.749385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 13    coordinates: [  0.000061605000000,  0.414417340000000,  0.499385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 14    coordinates: [  0.500061605000000,  0.414417340000000,  0.499385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 15    coordinates: [  0.000061605000000,  0.414417340000000,  0.999385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 16    coordinates: [  0.500061605000000,  0.414417340000000,  0.999385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 17    coordinates: [  0.234826260000000,  0.748661800000000,  0.247524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 18    coordinates: [  0.734826260000000,  0.748661800000000,  0.247524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 19    coordinates: [  0.234826260000000,  0.748661800000000,  0.747524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 20    coordinates: [  0.734826260000000,  0.748661800000000,  0.747524780000000 ]    mass: 69.723000    reduced_to: 1  - symbol: Ga # 21    coordinates: [  0.484826260000000,  0.751338200000000,  0.497524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 22    coordinates: [  0.984826260000000,  0.751338200000000,  0.497524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 23    coordinates: [  0.484826260000000,  0.751338200000000,  0.997524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 24    coordinates: [  0.984826260000000,  0.751338200000000,  0.997524780000000 ]    mass: 69.723000    reduced_to: 5  - symbol: Ga # 25    coordinates: [  0.000061605000000,  0.585582660000000,  0.249385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 26    coordinates: [  0.500061605000000,  0.585582660000000,  0.249385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 27    coordinates: [  0.000061605000000,  0.585582660000000,  0.749385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 28    coordinates: [  0.500061605000000,  0.585582660000000,  0.749385525000000 ]    mass: 69.723000    reduced_to: 9  - symbol: Ga # 29    coordinates: [  0.250061605000000,  0.914417340000000,  0.499385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 30    coordinates: [  0.750061605000000,  0.914417340000000,  0.499385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 31    coordinates: [  0.250061605000000,  0.914417340000000,  0.999385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Ga # 32    coordinates: [  0.750061605000000,  0.914417340000000,  0.999385525000000 ]    mass: 69.723000    reduced_to: 13  - symbol: Se # 33    coordinates: [  0.164256580000000,  0.077895580000000,  0.055509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 34    coordinates: [  0.664256580000000,  0.077895580000000,  0.055509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 35    coordinates: [  0.164256580000000,  0.077895580000000,  0.555509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 36    coordinates: [  0.664256580000000,  0.077895580000000,  0.555509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 37    coordinates: [  0.414256580000000,  0.422104420000000,  0.305509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 38    coordinates: [  0.914256580000000,  0.422104420000000,  0.305509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 39    coordinates: [  0.414256580000000,  0.422104420000000,  0.805509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 40    coordinates: [  0.914256580000000,  0.422104420000000,  0.805509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 41    coordinates: [  0.435756250000000,  0.082326950000000,  0.320794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 42    coordinates: [  0.935756250000000,  0.082326950000000,  0.320794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 43    coordinates: [  0.435756250000000,  0.082326950000000,  0.820794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 44    coordinates: [  0.935756250000000,  0.082326950000000,  0.820794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 45    coordinates: [  0.185756250000000,  0.417673050000000,  0.070794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 46    coordinates: [  0.685756250000000,  0.417673050000000,  0.070794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 47    coordinates: [  0.185756250000000,  0.417673050000000,  0.570794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 48    coordinates: [  0.685756250000000,  0.417673050000000,  0.570794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 49    coordinates: [  0.179999305000000,  0.262681380000000,  0.302984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 50    coordinates: [  0.679999305000000,  0.262681380000000,  0.302984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 51    coordinates: [  0.179999305000000,  0.262681380000000,  0.802984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 52    coordinates: [  0.679999305000000,  0.262681380000000,  0.802984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 53    coordinates: [  0.429999305000000,  0.237318620000000,  0.052984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 54    coordinates: [  0.929999305000000,  0.237318620000000,  0.052984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 55    coordinates: [  0.429999305000000,  0.237318620000000,  0.552984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 56    coordinates: [  0.929999305000000,  0.237318620000000,  0.552984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 57    coordinates: [  0.414256580000000,  0.577895580000000,  0.055509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 58    coordinates: [  0.914256580000000,  0.577895580000000,  0.055509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 59    coordinates: [  0.414256580000000,  0.577895580000000,  0.555509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 60    coordinates: [  0.914256580000000,  0.577895580000000,  0.555509980000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 61    coordinates: [  0.164256580000000,  0.922104420000000,  0.305509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 62    coordinates: [  0.664256580000000,  0.922104420000000,  0.305509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 63    coordinates: [  0.164256580000000,  0.922104420000000,  0.805509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 64    coordinates: [  0.664256580000000,  0.922104420000000,  0.805509980000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 65    coordinates: [  0.185756250000000,  0.582326950000000,  0.320794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 66    coordinates: [  0.685756250000000,  0.582326950000000,  0.320794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 67    coordinates: [  0.185756250000000,  0.582326950000000,  0.820794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 68    coordinates: [  0.685756250000000,  0.582326950000000,  0.820794750000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 69    coordinates: [  0.435756250000000,  0.917673050000000,  0.070794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 70    coordinates: [  0.935756250000000,  0.917673050000000,  0.070794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 71    coordinates: [  0.435756250000000,  0.917673050000000,  0.570794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 72    coordinates: [  0.935756250000000,  0.917673050000000,  0.570794750000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 73    coordinates: [  0.429999305000000,  0.762681380000000,  0.302984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 74    coordinates: [  0.929999305000000,  0.762681380000000,  0.302984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 75    coordinates: [  0.429999305000000,  0.762681380000000,  0.802984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 76    coordinates: [  0.929999305000000,  0.762681380000000,  0.802984960000000 ]    mass: 78.960000    reduced_to: 49  - symbol: Se # 77    coordinates: [  0.179999305000000,  0.737318620000000,  0.052984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 78    coordinates: [  0.679999305000000,  0.737318620000000,  0.052984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 79    coordinates: [  0.179999305000000,  0.737318620000000,  0.552984960000000 ]    mass: 78.960000    reduced_to: 53  - symbol: Se # 80    coordinates: [  0.679999305000000,  0.737318620000000,  0.552984960000000 ]    mass: 78.960000    reduced_to: 53born_effective_charge:- # 1 (Ga)  - [  2.643659660000000,  0.583640250000000,  0.080798640000000 ]  - [ -0.605167120000000,  2.626630870000000, -0.420351350000000 ]  - [  0.171451230000000,  0.419871750000000,  2.782578900000000 ]- # 2 (Ga)  - [  2.643659660000000, -0.583640250000000,  0.080798640000000 ]  - [  0.605167120000000,  2.626630870000000,  0.420351350000000 ]  - [  0.171451230000000, -0.419871750000000,  2.782578900000000 ]- # 3 (Ga)  - [  2.759677560000000, -0.541745560000000, -0.134764040000000 ]  - [  0.779312110000000,  2.613330740000000,  0.016414360000000 ]  - [ -0.260222430000000,  0.069234370000000,  2.741913210000000 ]- # 4 (Ga)  - [  2.759677560000000,  0.541745560000000, -0.134764040000000 ]  - [ -0.779312110000000,  2.613330740000000, -0.016414360000000 ]  - [ -0.260222430000000, -0.069234370000000,  2.741913210000000 ]- # 5 (Se)  - [ -1.005974680000000,  0.151427570000000,  0.449550080000000 ]  - [  0.011095110000000, -2.356262630000000, -0.144253870000000 ]  - [  0.529661760000000,  0.097320540000000, -2.364693970000000 ]- # 6 (Se)  - [ -1.005974680000000, -0.151427570000000,  0.449550080000000 ]  - [ -0.011095110000000, -2.356262630000000,  0.144253870000000 ]  - [  0.529661760000000, -0.097320540000000, -2.364693970000000 ]- # 7 (Se)  - [ -2.220459880000000, -0.377455330000000, -0.079751090000000 ]  - [ -0.414662390000000, -1.627183580000000,  0.029607640000000 ]  - [ -0.094573420000000, -0.173592500000000, -1.306159280000000 ]- # 8 (Se)  - [ -2.220459880000000,  0.377455330000000, -0.079751090000000 ]  - [  0.414662390000000, -1.627183580000000, -0.029607640000000 ]  - [ -0.094573420000000,  0.173592500000000, -1.306159280000000 ]- # 9 (Se)  - [ -2.176902660000000,  0.628588880000000, -0.315833590000000 ]  - [  0.473583840000000, -1.256515400000000, -0.537421020000000 ]  - [ -0.346317140000000, -0.558899460000000, -1.853638860000000 ]- # 10 (Se)  - [ -2.176902660000000, -0.628588880000000, -0.315833590000000 ]  - [ -0.473583840000000, -1.256515400000000,  0.537421020000000 ]  - [ -0.346317140000000,  0.558899460000000, -1.853638860000000 ]dielectric_constant:  - [  9.371544170000000,  0.000000000000000, -0.453367760000000 ]  - [  0.000000000000000,  9.547383630000001,  0.000000000000000 ]  - [ -0.453294290000000,  0.000000000000000, 11.188204080000000 ]displacements:- atom:    1  displacement:    [   0.0099999820909379,  0.0000000000000000, -0.0000189256683174 ]  forces:  - [  -0.0903522200000000, -0.0113716300000000,  0.0085562600000000 ]  - [   0.0004278300000000,  0.0011591000000000,  0.0001280300000000 ]  - [  -0.0026381700000000,  0.0000640600000000, -0.0006526600000000 ]  - [  -0.0028475000000000,  0.0001153700000000,  0.0021078400000000 ]  - [  -0.0012359700000000, -0.0001131300000000, -0.0004657500000000 ]  - [  -0.0040598600000000,  0.0006052000000000,  0.0117723700000000 ]  - [  -0.0040782600000000, -0.0000287800000000,  0.0038049300000000 ]  - [  -0.0012362300000000,  0.0003846800000000, -0.0003448100000000 ]  - [   0.0011545300000000,  0.0020764000000000, -0.0004492900000000 ]  - [  -0.0009068100000000, -0.0092549200000000, -0.0044943000000000 ]  - [  -0.0054405400000000, -0.0012325000000000, -0.0008663600000000 ]  - [  -0.0055867900000000, -0.0002219200000000,  0.0000033900000000 ]  - [  -0.0049494300000000,  0.0017168000000000, -0.0007592600000000 ]  - [  -0.0079764100000000,  0.0017920100000000, -0.0063684000000000 ]  - [  -0.0050911600000000,  0.0008525000000000, -0.0005902500000000 ]  - [  -0.0072599700000000, -0.0002904200000000, -0.0022210700000000 ]  - [  -0.0008983300000000,  0.0001128200000000,  0.0005090400000000 ]  - [  -0.0008952800000000, -0.0010883900000000, -0.0001303800000000 ]  - [  -0.0016475500000000,  0.0000213300000000,  0.0002312200000000 ]  - [  -0.0016477400000000, -0.0002970200000000,  0.0001548700000000 ]  - [  -0.0027611000000000, -0.0000685400000000, -0.0008834800000000 ]  - [  -0.0014115900000000, -0.0000797100000000,  0.0001508100000000 ]  - [  -0.0027610100000000, -0.0001007900000000, -0.0000836500000000 ]  - [  -0.0014113900000000, -0.0000879000000000,  0.0002657500000000 ]  - [  -0.0053094100000000,  0.0000194300000000, -0.0010251700000000 ]  - [  -0.0114503700000000, -0.0031300100000000,  0.0025090200000000 ]  - [  -0.0056344100000000, -0.0006223600000000, -0.0006192600000000 ]  - [  -0.0069970000000000, -0.0004753500000000, -0.0017991500000000 ]  - [  -0.0053418600000000,  0.0006170700000000, -0.0009502500000000 ]  - [  -0.0057942400000000, -0.0000648900000000, -0.0002794300000000 ]  - [  -0.0060894500000000,  0.0011364000000000, -0.0003539300000000 ]  - [  -0.0052704400000000, -0.0004276300000000, -0.0006633200000000 ]  - [  -0.0056580900000000, -0.0032750300000000, -0.0069736500000000 ]  - [  -0.0064850500000000, -0.0022990500000000, -0.0046663500000000 ]  - [  -0.0054685600000000, -0.0030917500000000, -0.0053156400000000 ]  - [  -0.0059518900000000, -0.0025559700000000, -0.0076398800000000 ]  - [   0.0138516800000000, -0.0162914500000000, -0.0122145000000000 ]  - [  -0.0058605000000000,  0.0027104700000000, -0.0051132000000000 ]  - [  -0.0049715000000000,  0.0035441100000000, -0.0052087800000000 ]  - [  -0.0055644100000000,  0.0030516500000000, -0.0058676900000000 ]  - [   0.0219234000000000,  0.0184821100000000, -0.0017871000000000 ]  - [   0.0047355700000000, -0.0031466700000000,  0.0084216500000000 ]  - [   0.0075225800000000, -0.0043000400000000,  0.0079849700000000 ]  - [   0.0078917400000000, -0.0038132100000000,  0.0081383800000000 ]  - [   0.0073946500000000,  0.0039477300000000,  0.0082396800000000 ]  - [   0.0080515600000000,  0.0037913600000000,  0.0088715400000000 ]  - [   0.0070545800000000,  0.0039215200000000,  0.0084056100000000 ]  - [   0.0098917800000000,  0.0026388100000000,  0.0079137200000000 ]  - [   0.0040325900000000,  0.0072478300000000, -0.0023412900000000 ]  - [   0.0517259400000000,  0.0151572800000000,  0.0054600100000000 ]  - [   0.0064320600000000,  0.0072034400000000, -0.0023927800000000 ]  - [   0.0056610200000000,  0.0067944900000000, -0.0018806500000000 ]  - [   0.0131138400000000, -0.0051041300000000, -0.0059983800000000 ]  - [   0.0050236900000000, -0.0072583600000000, -0.0021037600000000 ]  - [   0.0058102300000000, -0.0073316200000000, -0.0017694600000000 ]  - [   0.0048913100000000, -0.0074511500000000, -0.0049311200000000 ]  - [  -0.0046936600000000, -0.0030906200000000, -0.0057284400000000 ]  - [  -0.0056963200000000, -0.0033194500000000, -0.0054889700000000 ]  - [  -0.0050141800000000, -0.0030746400000000, -0.0038672600000000 ]  - [  -0.0056418400000000, -0.0033874900000000, -0.0055389100000000 ]  - [  -0.0055190400000000,  0.0033689400000000, -0.0052430900000000 ]  - [  -0.0066318300000000,  0.0049352800000000, -0.0055386600000000 ]  - [  -0.0053907200000000,  0.0032506100000000, -0.0055730000000000 ]  - [  -0.0058076900000000,  0.0036949700000000, -0.0056980900000000 ]  - [   0.0074508200000000, -0.0044255100000000,  0.0083006000000000 ]  - [   0.0085804700000000, -0.0023810400000000,  0.0081561400000000 ]  - [   0.0075667200000000, -0.0039035200000000,  0.0082893500000000 ]  - [   0.0081329800000000, -0.0039384700000000,  0.0082142400000000 ]  - [   0.0078752400000000,  0.0036476000000000,  0.0085422300000000 ]  - [   0.0075937000000000,  0.0041703600000000,  0.0081873400000000 ]  - [   0.0074641800000000,  0.0037274900000000,  0.0087687600000000 ]  - [   0.0075795200000000,  0.0040291300000000,  0.0082267100000000 ]  - [   0.0056352800000000,  0.0089280900000000, -0.0022739500000000 ]  - [   0.0056186100000000,  0.0068996500000000, -0.0021325200000000 ]  - [   0.0057121500000000,  0.0069370100000000, -0.0021442100000000 ]  - [   0.0054131100000000,  0.0069789400000000, -0.0021519000000000 ]  - [   0.0052685700000000, -0.0070311100000000, -0.0023059700000000 ]  - [   0.0057475100000000, -0.0066780700000000, -0.0021158500000000 ]  - [   0.0052828200000000, -0.0069998900000000, -0.0022483800000000 ]  - [   0.0058235300000000, -0.0066278700000000, -0.0020608600000000 ]- atom:    1  displacement:    [  -0.0099999820909379,  0.0000000000000000,  0.0000189256683174 ]  forces:  - [   0.0843899200000000,  0.0111780400000000, -0.0092503500000000 ]  - [  -0.0042793800000000, -0.0012102700000000,  0.0003026900000000 ]  - [  -0.0012024100000000, -0.0001115200000000,  0.0010839300000000 ]  - [  -0.0009883400000000, -0.0001686500000000, -0.0016806500000000 ]  - [  -0.0025995100000000,  0.0001621600000000,  0.0008996500000000 ]  - [   0.0002323100000000, -0.0005443000000000, -0.0113144700000000 ]  - [   0.0002439500000000,  0.0000794100000000, -0.0033846100000000 ]  - [  -0.0025991200000000, -0.0003305600000000,  0.0007744900000000 ]  - [  -0.0131769300000000, -0.0034277900000000, -0.0011668400000000 ]  - [  -0.0110322400000000,  0.0079473200000000,  0.0028734000000000 ]  - [  -0.0065546500000000, -0.0000711000000000, -0.0007538500000000 ]  - [  -0.0064034300000000, -0.0010817300000000, -0.0016157800000000 ]  - [  -0.0070454500000000, -0.0004149100000000, -0.0008644100000000 ]  - [  -0.0040285000000000, -0.0004928300000000,  0.0047396700000000 ]  - [  -0.0069064500000000,  0.0004507000000000, -0.0010291100000000 ]  - [  -0.0047530300000000,  0.0015799900000000,  0.0005993900000000 ]  - [  -0.0029391100000000, -0.0001650700000000, -0.0000767200000000 ]  - [  -0.0029339200000000,  0.0010367600000000,  0.0005554300000000 ]  - [  -0.0021880500000000, -0.0000721200000000,  0.0001982100000000 ]  - [  -0.0021883300000000,  0.0002442500000000,  0.0002754900000000 ]  - [  -0.0010793500000000,  0.0001173500000000,  0.0013118500000000 ]  - [  -0.0024255400000000,  0.0001315000000000,  0.0002782100000000 ]  - [  -0.0010813400000000,  0.0001509800000000,  0.0005135500000000 ]  - [  -0.0024253700000000,  0.0001377000000000,  0.0001629300000000 ]  - [  -0.0066819100000000, -0.0013298800000000, -0.0005909900000000 ]  - [  -0.0005456000000000,  0.0018276300000000, -0.0041492500000000 ]  - [  -0.0063587600000000, -0.0006824900000000, -0.0010014600000000 ]  - [  -0.0050006000000000, -0.0008313000000000,  0.0001747700000000 ]  - [  -0.0066502700000000,  0.0006854000000000, -0.0006723100000000 ]  - [  -0.0061950400000000,  0.0013643900000000, -0.0013363300000000 ]  - [  -0.0059023200000000,  0.0001655900000000, -0.0012651700000000 ]  - [  -0.0067181300000000,  0.0017268200000000, -0.0009551200000000 ]  - [  -0.0052234800000000, -0.0032087100000000, -0.0040214600000000 ]  - [  -0.0043995300000000, -0.0041779100000000, -0.0063276400000000 ]  - [  -0.0054093000000000, -0.0033881300000000, -0.0056764900000000 ]  - [  -0.0049275000000000, -0.0039249900000000, -0.0033681500000000 ]  - [  -0.0247516100000000,  0.0231478400000000,  0.0013856300000000 ]  - [  -0.0050194700000000,  0.0037678500000000, -0.0058767800000000 ]  - [  -0.0058940800000000,  0.0029435400000000, -0.0057936000000000 ]  - [  -0.0053091000000000,  0.0034256100000000, -0.0051209000000000 ]  - [  -0.0062735900000000, -0.0265600300000000,  0.0184950100000000 ]  - [   0.0108574200000000, -0.0046332300000000,  0.0081418100000000 ]  - [   0.0080544000000000, -0.0034653600000000,  0.0085772600000000 ]  - [   0.0076796600000000, -0.0039533700000000,  0.0084218600000000 ]  - [   0.0081755700000000,  0.0038233300000000,  0.0083236200000000 ]  - [   0.0075219100000000,  0.0039772400000000,  0.0076949400000000 ]  - [   0.0085135800000000,  0.0038463600000000,  0.0081571000000000 ]  - [   0.0056886700000000,  0.0051291900000000,  0.0086456900000000 ]  - [   0.0070933800000000,  0.0066466900000000, -0.0020473600000000 ]  - [  -0.0384832300000000, -0.0011094500000000, -0.0091434900000000 ]  - [   0.0046978900000000,  0.0066925500000000, -0.0020010000000000 ]  - [   0.0054691500000000,  0.0071006900000000, -0.0025100100000000 ]  - [  -0.0019846600000000, -0.0087792000000000,  0.0018569800000000 ]  - [   0.0061132900000000, -0.0066372900000000, -0.0022829700000000 ]  - [   0.0053223400000000, -0.0065736500000000, -0.0026120100000000 ]  - [   0.0062456100000000, -0.0064445500000000,  0.0005497100000000 ]  - [  -0.0061813100000000, -0.0033875900000000, -0.0052603100000000 ]  - [  -0.0051767100000000, -0.0031596800000000, -0.0055156900000000 ]  - [  -0.0058611300000000, -0.0033948400000000, -0.0071130200000000 ]  - [  -0.0052336500000000, -0.0030971900000000, -0.0054550100000000 ]  - [  -0.0053623100000000,  0.0031029200000000, -0.0057524800000000 ]  - [  -0.0042578800000000,  0.0015516600000000, -0.0054499700000000 ]  - [  -0.0054871500000000,  0.0032342800000000, -0.0054175900000000 ]  - [  -0.0050741800000000,  0.0027912700000000, -0.0052956400000000 ]  - [   0.0081348300000000, -0.0033385200000000,  0.0082605000000000 ]  - [   0.0069884700000000, -0.0053911800000000,  0.0084093900000000 ]  - [   0.0080048000000000, -0.0038690100000000,  0.0082755300000000 ]  - [   0.0074338900000000, -0.0038349900000000,  0.0083472700000000 ]  - [   0.0076966000000000,  0.0041230800000000,  0.0080227600000000 ]  - [   0.0079816700000000,  0.0035957400000000,  0.0083742600000000 ]  - [   0.0081122200000000,  0.0040370800000000,  0.0077931400000000 ]  - [   0.0079900300000000,  0.0037425500000000,  0.0083355900000000 ]  - [   0.0054941000000000,  0.0049686300000000, -0.0021112000000000 ]  - [   0.0055046700000000,  0.0070072000000000, -0.0022553700000000 ]  - [   0.0054263900000000,  0.0069537100000000, -0.0022448100000000 ]  - [   0.0057244000000000,  0.0069184000000000, -0.0022299900000000 ]  - [   0.0058593100000000, -0.0068629900000000, -0.0020770400000000 ]  - [   0.0053855900000000, -0.0072194100000000, -0.0022678600000000 ]  - [   0.0058512500000000, -0.0068997300000000, -0.0021419300000000 ]  - [   0.0053056900000000, -0.0072678900000000, -0.0023345100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0120671000000000, -0.1028041100000000,  0.0097287500000000 ]  - [  -0.0007409700000000,  0.0011528600000000,  0.0004772400000000 ]  - [  -0.0018310300000000,  0.0011473500000000,  0.0003531200000000 ]  - [  -0.0017745500000000, -0.0005436500000000,  0.0003943900000000 ]  - [  -0.0022804000000000, -0.0001792800000000, -0.0007741200000000 ]  - [  -0.0018636700000000, -0.0007959000000000, -0.0008110400000000 ]  - [  -0.0024837700000000, -0.0007929800000000,  0.0000359000000000 ]  - [  -0.0017815900000000, -0.0001790300000000,  0.0001602400000000 ]  - [   0.0050543900000000, -0.0011172800000000,  0.0043495800000000 ]  - [  -0.0078922900000000, -0.0021416800000000, -0.0021961000000000 ]  - [  -0.0066226600000000, -0.0006902300000000, -0.0010299800000000 ]  - [  -0.0055192800000000, -0.0007151300000000, -0.0012417600000000 ]  - [  -0.0058140600000000,  0.0006092900000000, -0.0011497400000000 ]  - [  -0.0055551900000000, -0.0009898100000000,  0.0096514300000000 ]  - [  -0.0064475500000000,  0.0005537600000000, -0.0004624400000000 ]  - [  -0.0064177100000000, -0.0009688400000000, -0.0036466000000000 ]  - [  -0.0029778300000000,  0.0015665100000000,  0.0002379600000000 ]  - [  -0.0017806200000000,  0.0015671100000000, -0.0002238700000000 ]  - [  -0.0021895300000000,  0.0001629800000000,  0.0000813800000000 ]  - [  -0.0018719800000000,  0.0001642600000000,  0.0003142300000000 ]  - [  -0.0017922700000000,  0.0014452000000000,  0.0006185900000000 ]  - [  -0.0018067200000000,  0.0001650500000000,  0.0003689500000000 ]  - [  -0.0018241900000000,  0.0014444100000000,  0.0003756000000000 ]  - [  -0.0018145900000000,  0.0001655000000000,  0.0003205800000000 ]  - [  -0.0064667000000000, -0.0014421500000000, -0.0008851600000000 ]  - [  -0.0029173100000000,  0.0079962100000000, -0.0036405900000000 ]  - [  -0.0059685200000000, -0.0004862200000000, -0.0007500700000000 ]  - [  -0.0060355800000000, -0.0014631700000000,  0.0006226900000000 ]  - [  -0.0056660900000000,  0.0008911600000000, -0.0021331600000000 ]  - [  -0.0060322300000000,  0.0010394700000000, -0.0011042600000000 ]  - [  -0.0062520500000000,  0.0015880100000000, -0.0001975800000000 ]  - [  -0.0058140200000000,  0.0008380400000000, -0.0008509400000000 ]  - [  -0.0061238600000000, -0.0030435900000000, -0.0077940200000000 ]  - [  -0.0054220800000000, -0.0030741700000000, -0.0053465700000000 ]  - [  -0.0052531000000000, -0.0031188100000000, -0.0051749700000000 ]  - [  -0.0059950100000000, -0.0030640900000000, -0.0056876200000000 ]  - [  -0.0270226000000000,  0.0362629900000000,  0.0013748600000000 ]  - [  -0.0055303800000000,  0.0039539400000000, -0.0055859200000000 ]  - [  -0.0049392600000000,  0.0044692500000000, -0.0059732900000000 ]  - [  -0.0052829300000000,  0.0033027700000000, -0.0054263500000000 ]  - [   0.0266385600000000,  0.0521972800000000, -0.0200559300000000 ]  - [   0.0064643400000000, -0.0034390000000000,  0.0083337600000000 ]  - [   0.0076226400000000, -0.0036883900000000,  0.0090858800000000 ]  - [   0.0077465400000000, -0.0037368700000000,  0.0084553100000000 ]  - [   0.0077944300000000,  0.0041658200000000,  0.0077699500000000 ]  - [   0.0076311300000000,  0.0042024000000000,  0.0085050900000000 ]  - [   0.0077092200000000,  0.0039649800000000,  0.0085147300000000 ]  - [   0.0063482700000000,  0.0047384300000000,  0.0069200200000000 ]  - [   0.0030194100000000,  0.0069627600000000, -0.0021425800000000 ]  - [   0.0130368000000000,  0.0125567200000000,  0.0017953100000000 ]  - [   0.0054781900000000,  0.0070615000000000, -0.0023713300000000 ]  - [   0.0054251300000000,  0.0068102800000000, -0.0019760600000000 ]  - [   0.0073884700000000, -0.0021289400000000,  0.0041120700000000 ]  - [   0.0055220100000000, -0.0070172900000000, -0.0023326400000000 ]  - [   0.0066226400000000, -0.0074931600000000, -0.0036929500000000 ]  - [   0.0052825700000000, -0.0068084600000000, -0.0023534800000000 ]  - [  -0.0060685600000000, -0.0043145400000000, -0.0046657200000000 ]  - [  -0.0053057500000000, -0.0032619700000000, -0.0055144100000000 ]  - [  -0.0053278200000000, -0.0039816400000000, -0.0082598400000000 ]  - [  -0.0054023500000000, -0.0032983200000000, -0.0054381100000000 ]  - [  -0.0072774300000000,  0.0010827400000000, -0.0051252500000000 ]  - [  -0.0058967100000000,  0.0029230400000000, -0.0056507300000000 ]  - [  -0.0052687300000000,  0.0030543900000000, -0.0056827900000000 ]  - [  -0.0055208100000000,  0.0030723700000000, -0.0054380800000000 ]  - [   0.0085352400000000, -0.0038457900000000,  0.0087159700000000 ]  - [   0.0065493100000000, -0.0059434500000000,  0.0088114700000000 ]  - [   0.0078146600000000, -0.0039812900000000,  0.0082607100000000 ]  - [   0.0076776800000000, -0.0038964200000000,  0.0080674800000000 ]  - [   0.0080722200000000,  0.0035743400000000,  0.0087368200000000 ]  - [   0.0077012200000000,  0.0038201700000000,  0.0082659300000000 ]  - [   0.0079317100000000,  0.0028891800000000,  0.0088040500000000 ]  - [   0.0078536200000000,  0.0037560700000000,  0.0083349500000000 ]  - [   0.0062290500000000,  0.0056398000000000, -0.0025316700000000 ]  - [   0.0054626400000000,  0.0065581400000000, -0.0023215400000000 ]  - [   0.0058012600000000,  0.0065167600000000, -0.0026982200000000 ]  - [   0.0055554700000000,  0.0069480000000000, -0.0022537900000000 ]  - [   0.0054806900000000, -0.0071599800000000, -0.0022057100000000 ]  - [   0.0055607900000000, -0.0073332300000000, -0.0020709400000000 ]  - [   0.0054965900000000, -0.0069913800000000, -0.0019744500000000 ]  - [   0.0054325600000000, -0.0070510500000000, -0.0021126000000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0104661900000000,  0.1030582900000000, -0.0111138900000000 ]  - [  -0.0031064000000000, -0.0012047300000000, -0.0000492200000000 ]  - [  -0.0020044500000000, -0.0011951700000000,  0.0000854400000000 ]  - [  -0.0020560400000000,  0.0004958900000000,  0.0000303800000000 ]  - [  -0.0015605400000000,  0.0002329300000000,  0.0012091400000000 ]  - [  -0.0019665500000000,  0.0008490200000000,  0.0012167900000000 ]  - [  -0.0013313000000000,  0.0008508100000000,  0.0003946100000000 ]  - [  -0.0020555600000000,  0.0002315200000000,  0.0002708400000000 ]  - [  -0.0170876700000000, -0.0002035500000000, -0.0059895500000000 ]  - [  -0.0040891400000000,  0.0008480700000000,  0.0005744500000000 ]  - [  -0.0053726000000000, -0.0006086500000000, -0.0005887900000000 ]  - [  -0.0064735600000000, -0.0005891500000000, -0.0003764700000000 ]  - [  -0.0061804700000000,  0.0006912100000000, -0.0004681800000000 ]  - [  -0.0064376600000000,  0.0023034300000000, -0.0112560300000000 ]  - [  -0.0055443600000000,  0.0007529900000000, -0.0011567900000000 ]  - [  -0.0055664900000000,  0.0022689200000000,  0.0020222200000000 ]  - [  -0.0008505100000000, -0.0016177600000000,  0.0001961100000000 ]  - [  -0.0020529800000000, -0.0016167400000000,  0.0006507500000000 ]  - [  -0.0016466700000000, -0.0002136900000000,  0.0003482800000000 ]  - [  -0.0019643800000000, -0.0002133200000000,  0.0001160500000000 ]  - [  -0.0020448100000000, -0.0013928800000000, -0.0001977500000000 ]  - [  -0.0020292100000000, -0.0001124500000000,  0.0000613300000000 ]  - [  -0.0020068500000000, -0.0013948600000000,  0.0000507200000000 ]  - [  -0.0020226900000000, -0.0001133100000000,  0.0001088400000000 ]  - [  -0.0055198400000000,  0.0001416400000000, -0.0007328200000000 ]  - [  -0.0091137100000000, -0.0092531100000000,  0.0020399100000000 ]  - [  -0.0060238500000000, -0.0008173900000000, -0.0008676900000000 ]  - [  -0.0059554600000000,  0.0001618400000000, -0.0022473300000000 ]  - [  -0.0063218600000000,  0.0004115000000000,  0.0005131600000000 ]  - [  -0.0059621800000000,  0.0002642500000000, -0.0005103100000000 ]  - [  -0.0057447600000000, -0.0002870700000000, -0.0014245600000000 ]  - [  -0.0061760500000000,  0.0004671600000000, -0.0007683100000000 ]  - [  -0.0047507100000000, -0.0034409100000000, -0.0031852500000000 ]  - [  -0.0054557200000000, -0.0034107000000000, -0.0056493600000000 ]  - [  -0.0056258400000000, -0.0033590600000000, -0.0058137000000000 ]  - [  -0.0048791500000000, -0.0034167900000000, -0.0053044000000000 ]  - [   0.0152687000000000, -0.0284845800000000, -0.0118266500000000 ]  - [  -0.0053505000000000,  0.0025166500000000, -0.0054056900000000 ]  - [  -0.0059404300000000,  0.0020132900000000, -0.0050222900000000 ]  - [  -0.0055955300000000,  0.0031778900000000, -0.0055624800000000 ]  - [  -0.0121797900000000, -0.0616919800000000,  0.0377151200000000 ]  - [   0.0091209100000000, -0.0043300900000000,  0.0082315300000000 ]  - [   0.0079508600000000, -0.0040824700000000,  0.0074825800000000 ]  - [   0.0078268800000000, -0.0040349100000000,  0.0081112500000000 ]  - [   0.0077756600000000,  0.0036054600000000,  0.0087955100000000 ]  - [   0.0079475400000000,  0.0035730200000000,  0.0080636000000000 ]  - [   0.0078667500000000,  0.0038078700000000,  0.0080510600000000 ]  - [   0.0092275500000000,  0.0030372200000000,  0.0096467000000000 ]  - [   0.0081352800000000,  0.0069283500000000, -0.0022426400000000 ]  - [  -0.0021381300000000,  0.0012827600000000, -0.0062284300000000 ]  - [   0.0056515300000000,  0.0068313900000000, -0.0020220300000000 ]  - [   0.0057119000000000,  0.0070876800000000, -0.0024154700000000 ]  - [   0.0037156800000000, -0.0117178800000000, -0.0082306000000000 ]  - [   0.0056148600000000, -0.0068770300000000, -0.0020499300000000 ]  - [   0.0045102800000000, -0.0064121900000000, -0.0007128300000000 ]  - [   0.0058512200000000, -0.0070860600000000, -0.0020277200000000 ]  - [  -0.0048127000000000, -0.0021679200000000, -0.0063255600000000 ]  - [  -0.0055698400000000, -0.0032158600000000, -0.0054857600000000 ]  - [  -0.0055507300000000, -0.0024920600000000, -0.0027260900000000 ]  - [  -0.0054755400000000, -0.0031837500000000, -0.0055566500000000 ]  - [  -0.0036082600000000,  0.0053962800000000, -0.0058697000000000 ]  - [  -0.0049817400000000,  0.0035532900000000, -0.0053385700000000 ]  - [  -0.0056089100000000,  0.0034347800000000, -0.0053071600000000 ]  - [  -0.0053581100000000,  0.0034135500000000, -0.0055519700000000 ]  - [   0.0070417900000000, -0.0039281300000000,  0.0078491600000000 ]  - [   0.0090263300000000, -0.0018305700000000,  0.0077562800000000 ]  - [   0.0077637400000000, -0.0037909800000000,  0.0083090200000000 ]  - [   0.0079013200000000, -0.0038734200000000,  0.0085015900000000 ]  - [   0.0074993500000000,  0.0042029000000000,  0.0078323000000000 ]  - [   0.0078721000000000,  0.0039476600000000,  0.0082974400000000 ]  - [   0.0076438800000000,  0.0048776600000000,  0.0077710200000000 ]  - [   0.0077178700000000,  0.0040176100000000,  0.0082310700000000 ]  - [   0.0049053800000000,  0.0082838600000000, -0.0018527800000000 ]  - [   0.0056603800000000,  0.0073481800000000, -0.0020681700000000 ]  - [   0.0053352700000000,  0.0073855500000000, -0.0016863000000000 ]  - [   0.0055803200000000,  0.0069526300000000, -0.0021291400000000 ]  - [   0.0056504400000000, -0.0067322000000000, -0.0021828100000000 ]  - [   0.0055733600000000, -0.0065604900000000, -0.0023109600000000 ]  - [   0.0056368700000000, -0.0069083600000000, -0.0024165000000000 ]  - [   0.0057000600000000, -0.0068428000000000, -0.0022790200000000 ]- atom:    1  displacement:    [  -0.0031877315310266,  0.0000000000000000,  0.0094783103813970 ]  forces:  - [   0.0344071800000000,  0.0136757300000000, -0.0854187600000000 ]  - [  -0.0027578500000000, -0.0001613100000000, -0.0008937300000000 ]  - [  -0.0025041100000000,  0.0000673400000000,  0.0022651600000000 ]  - [   0.0001755300000000,  0.0000985000000000, -0.0001218100000000 ]  - [  -0.0026679100000000,  0.0001168100000000,  0.0009417000000000 ]  - [   0.0021813300000000,  0.0000202300000000, -0.0007188800000000 ]  - [   0.0096979300000000,  0.0009951600000000,  0.0018020500000000 ]  - [  -0.0027777800000000,  0.0008502500000000,  0.0009005700000000 ]  - [  -0.0129496100000000,  0.0006675700000000, -0.0042532500000000 ]  - [  -0.0068499500000000, -0.0017655500000000, -0.0018464300000000 ]  - [  -0.0059582300000000,  0.0003754300000000,  0.0003444700000000 ]  - [  -0.0060303900000000, -0.0004724300000000,  0.0000124600000000 ]  - [  -0.0062153800000000,  0.0001592900000000, -0.0004137100000000 ]  - [  -0.0074905400000000,  0.0027170800000000,  0.0045630300000000 ]  - [  -0.0049028400000000,  0.0010408200000000,  0.0000259800000000 ]  - [  -0.0116351100000000, -0.0082985400000000,  0.0026604800000000 ]  - [  -0.0025696200000000, -0.0004924200000000, -0.0009810600000000 ]  - [  -0.0019671600000000,  0.0003332400000000, -0.0007786300000000 ]  - [  -0.0020524800000000,  0.0000540300000000,  0.0007103900000000 ]  - [  -0.0019848200000000, -0.0000621800000000,  0.0007434900000000 ]  - [  -0.0019321400000000, -0.0001015000000000,  0.0013617700000000 ]  - [  -0.0020282300000000, -0.0000382100000000,  0.0005118800000000 ]  - [  -0.0026832300000000, -0.0003172400000000,  0.0011113800000000 ]  - [  -0.0021403500000000, -0.0000826600000000,  0.0004757600000000 ]  - [  -0.0063842200000000, -0.0008466100000000, -0.0019720400000000 ]  - [  -0.0011432600000000,  0.0024759000000000, -0.0051755500000000 ]  - [  -0.0060007400000000, -0.0007945300000000, -0.0004167000000000 ]  - [  -0.0066851800000000, -0.0018747600000000, -0.0000998600000000 ]  - [  -0.0063078100000000,  0.0007144000000000,  0.0001499600000000 ]  - [  -0.0057800100000000,  0.0005390600000000, -0.0007435000000000 ]  - [  -0.0056545100000000,  0.0010024100000000, -0.0008341900000000 ]  - [  -0.0060115300000000,  0.0011813500000000, -0.0003287100000000 ]  - [  -0.0059886500000000, -0.0043627700000000, -0.0035877300000000 ]  - [  -0.0058337000000000, -0.0034838400000000, -0.0054040100000000 ]  - [  -0.0052383000000000, -0.0034043300000000, -0.0060742300000000 ]  - [  -0.0052720600000000, -0.0033250800000000, -0.0054521400000000 ]  - [  -0.0191570400000000,  0.0167916900000000,  0.0044127800000000 ]  - [  -0.0051570600000000,  0.0029605800000000, -0.0054546600000000 ]  - [  -0.0041721100000000,  0.0047298600000000, -0.0072799000000000 ]  - [  -0.0055758800000000,  0.0033697600000000, -0.0056174200000000 ]  - [  -0.0044089200000000, -0.0380024000000000,  0.0277086900000000 ]  - [   0.0077317000000000, -0.0035751800000000,  0.0084418800000000 ]  - [   0.0083249500000000, -0.0041848800000000,  0.0067867500000000 ]  - [   0.0074233200000000, -0.0040183900000000,  0.0081037300000000 ]  - [   0.0053722200000000,  0.0040392800000000,  0.0072765000000000 ]  - [   0.0098137900000000,  0.0041828400000000,  0.0079775700000000 ]  - [   0.0080480900000000,  0.0039682000000000,  0.0079565200000000 ]  - [   0.0066467200000000,  0.0040610800000000,  0.0074206500000000 ]  - [   0.0069656200000000,  0.0065659400000000, -0.0020506900000000 ]  - [  -0.0009776000000000,  0.0081063500000000,  0.0033402700000000 ]  - [   0.0029575100000000,  0.0063837200000000, -0.0033669300000000 ]  - [   0.0057501500000000,  0.0067031700000000, -0.0026419000000000 ]  - [  -0.0015650500000000, -0.0000434400000000,  0.0455073900000000 ]  - [   0.0058427800000000, -0.0071473400000000, -0.0020194200000000 ]  - [   0.0055870100000000, -0.0065750800000000, -0.0026309300000000 ]  - [   0.0051306000000000, -0.0066676600000000, -0.0012551500000000 ]  - [  -0.0053289600000000, -0.0018762000000000, -0.0049233500000000 ]  - [  -0.0058430700000000, -0.0027300000000000, -0.0053057800000000 ]  - [  -0.0051583300000000, -0.0028946100000000, -0.0061194100000000 ]  - [  -0.0053075300000000, -0.0031601700000000, -0.0056520600000000 ]  - [  -0.0039247200000000,  0.0042061700000000, -0.0057675300000000 ]  - [  -0.0050467000000000,  0.0031693600000000, -0.0052518800000000 ]  - [  -0.0054323500000000,  0.0030260000000000, -0.0056423200000000 ]  - [  -0.0054529500000000,  0.0031129700000000, -0.0057507900000000 ]  - [   0.0082831600000000, -0.0035058900000000,  0.0089099100000000 ]  - [   0.0071334700000000, -0.0046951000000000,  0.0089384300000000 ]  - [   0.0078275400000000, -0.0039352800000000,  0.0081964000000000 ]  - [   0.0078287900000000, -0.0036676900000000,  0.0081516100000000 ]  - [   0.0079355000000000,  0.0046536800000000,  0.0076596500000000 ]  - [   0.0078204200000000,  0.0036614400000000,  0.0080218000000000 ]  - [   0.0077493900000000,  0.0036332500000000,  0.0083198700000000 ]  - [   0.0076891800000000,  0.0039986700000000,  0.0082277000000000 ]  - [   0.0053314600000000,  0.0051610200000000, -0.0022178000000000 ]  - [   0.0055375700000000,  0.0068997700000000, -0.0020753700000000 ]  - [   0.0055802400000000,  0.0071516900000000, -0.0021619800000000 ]  - [   0.0056409200000000,  0.0069950500000000, -0.0022901800000000 ]  - [   0.0057076700000000, -0.0071538000000000, -0.0019603600000000 ]  - [   0.0056294500000000, -0.0072018500000000, -0.0020845600000000 ]  - [   0.0056397900000000, -0.0068677600000000, -0.0024416600000000 ]  - [   0.0055149700000000, -0.0068294600000000, -0.0024616600000000 ]- atom:    1  displacement:    [   0.0031877315310266,  0.0000000000000000, -0.0094783103813970 ]  forces:  - [  -0.0378032600000000, -0.0132373400000000,  0.0882429500000000 ]  - [  -0.0010876600000000,  0.0000993500000000,  0.0013343700000000 ]  - [  -0.0013380500000000, -0.0001271500000000, -0.0018224800000000 ]  - [  -0.0040095200000000, -0.0001537500000000,  0.0005554200000000 ]  - [  -0.0011731200000000, -0.0000712900000000, -0.0005038900000000 ]  - [  -0.0060082200000000,  0.0000405600000000,  0.0011613000000000 ]  - [  -0.0135592300000000, -0.0009547000000000, -0.0013847900000000 ]  - [  -0.0010534400000000, -0.0008017300000000, -0.0004666400000000 ]  - [   0.0009615100000000, -0.0019702300000000,  0.0026511500000000 ]  - [  -0.0051241700000000,  0.0004714800000000,  0.0002580700000000 ]  - [  -0.0060156600000000, -0.0016804700000000, -0.0019569400000000 ]  - [  -0.0059424500000000, -0.0008362400000000, -0.0016176300000000 ]  - [  -0.0057644800000000,  0.0011433300000000, -0.0011957300000000 ]  - [  -0.0045098500000000, -0.0013752700000000, -0.0061566300000000 ]  - [  -0.0070657400000000,  0.0002671600000000, -0.0016346100000000 ]  - [  -0.0003250400000000,  0.0096037000000000, -0.0043100300000000 ]  - [  -0.0012668400000000,  0.0004314100000000,  0.0014232200000000 ]  - [  -0.0018669400000000, -0.0003813500000000,  0.0012193400000000 ]  - [  -0.0017751400000000, -0.0001045900000000, -0.0002834700000000 ]  - [  -0.0018493300000000,  0.0000142000000000, -0.0003065900000000 ]  - [  -0.0019060300000000,  0.0001503500000000, -0.0009282600000000 ]  - [  -0.0018062600000000,  0.0000943900000000, -0.0000822000000000 ]  - [  -0.0011442100000000,  0.0003719600000000, -0.0006771700000000 ]  - [  -0.0016990700000000,  0.0001397700000000, -0.0000457300000000 ]  - [  -0.0056065600000000, -0.0004568300000000,  0.0003588600000000 ]  - [  -0.0108248200000000, -0.0037831800000000,  0.0035714800000000 ]  - [  -0.0059704400000000, -0.0005142600000000, -0.0011884400000000 ]  - [  -0.0052939100000000,  0.0005630500000000, -0.0015149100000000 ]  - [  -0.0056698600000000,  0.0005852500000000, -0.0017571600000000 ]  - [  -0.0061820700000000,  0.0007609700000000, -0.0008640600000000 ]  - [  -0.0063253700000000,  0.0003048500000000, -0.0007773800000000 ]  - [  -0.0059645700000000,  0.0001225800000000, -0.0012819700000000 ]  - [  -0.0048939600000000, -0.0021319400000000, -0.0073742300000000 ]  - [  -0.0050597200000000, -0.0030209400000000, -0.0055812900000000 ]  - [  -0.0056480700000000, -0.0030913100000000, -0.0048973000000000 ]  - [  -0.0055929900000000, -0.0031550000000000, -0.0055303900000000 ]  - [   0.0081486000000000, -0.0100337800000000, -0.0154713900000000 ]  - [  -0.0057432300000000,  0.0034882600000000, -0.0055245000000000 ]  - [  -0.0066911300000000,  0.0017612200000000, -0.0037414900000000 ]  - [  -0.0053053300000000,  0.0031139400000000, -0.0053575700000000 ]  - [   0.0197702400000000,  0.0295997400000000, -0.0111965700000000 ]  - [   0.0078340800000000, -0.0041905400000000,  0.0081140300000000 ]  - [   0.0072402600000000, -0.0035911100000000,  0.0097318800000000 ]  - [   0.0081270400000000, -0.0037579600000000,  0.0084461900000000 ]  - [   0.0101619700000000,  0.0037590500000000,  0.0092897700000000 ]  - [   0.0057495500000000,  0.0036042500000000,  0.0086039500000000 ]  - [   0.0074906000000000,  0.0038229100000000,  0.0086167100000000 ]  - [   0.0089621100000000,  0.0036864500000000,  0.0091483500000000 ]  - [   0.0041731200000000,  0.0073386200000000, -0.0023675400000000 ]  - [   0.0119038200000000,  0.0057913100000000, -0.0077830600000000 ]  - [   0.0081868100000000,  0.0075231900000000, -0.0010534700000000 ]  - [   0.0053854800000000,  0.0072091200000000, -0.0017765200000000 ]  - [   0.0127117700000000, -0.0139565200000000, -0.0522220600000000 ]  - [   0.0053214900000000, -0.0067542600000000, -0.0023593900000000 ]  - [   0.0055538000000000, -0.0073645800000000, -0.0017208500000000 ]  - [   0.0059969300000000, -0.0072401300000000, -0.0031419400000000 ]  - [  -0.0055692500000000, -0.0046100900000000, -0.0060408500000000 ]  - [  -0.0050264500000000, -0.0037547600000000, -0.0057234800000000 ]  - [  -0.0057431600000000, -0.0035719800000000, -0.0048406900000000 ]  - [  -0.0055792200000000, -0.0033459900000000, -0.0053367200000000 ]  - [  -0.0069517800000000,  0.0022628900000000, -0.0052295100000000 ]  - [  -0.0058242400000000,  0.0033042400000000, -0.0057327100000000 ]  - [  -0.0054554700000000,  0.0034836900000000, -0.0053494900000000 ]  - [  -0.0054376400000000,  0.0033910900000000, -0.0052311600000000 ]  - [   0.0073340700000000, -0.0042490100000000,  0.0076515300000000 ]  - [   0.0084192400000000, -0.0030720800000000,  0.0076100100000000 ]  - [   0.0077176500000000, -0.0038618400000000,  0.0083670800000000 ]  - [   0.0077065600000000, -0.0041301700000000,  0.0084153800000000 ]  - [   0.0076298500000000,  0.0031310000000000,  0.0089124800000000 ]  - [   0.0077484000000000,  0.0040968800000000,  0.0085292500000000 ]  - [   0.0078035200000000,  0.0041487200000000,  0.0082467000000000 ]  - [   0.0078442500000000,  0.0037988500000000,  0.0083258500000000 ]  - [   0.0057962900000000,  0.0087416700000000, -0.0021924300000000 ]  - [   0.0055802700000000,  0.0070421000000000, -0.0023233500000000 ]  - [   0.0055827300000000,  0.0067533900000000, -0.0022315500000000 ]  - [   0.0055163200000000,  0.0069183000000000, -0.0020746800000000 ]  - [   0.0054168200000000, -0.0067688500000000, -0.0024131900000000 ]  - [   0.0055176800000000, -0.0067097400000000, -0.0022972800000000 ]  - [   0.0055204000000000, -0.0070491300000000, -0.0019596700000000 ]  - [   0.0056397000000000, -0.0070751700000000, -0.0019523200000000 ]- atom:    9  displacement:    [   0.0099999820909379,  0.0000000000000000, -0.0000189256683174 ]  forces:  - [   0.0052730300000000,  0.0110589200000000, -0.0047232100000000 ]  - [   0.0031486300000000, -0.0019028700000000,  0.0010125700000000 ]  - [  -0.0013606000000000, -0.0006520500000000,  0.0004296100000000 ]  - [  -0.0015133600000000,  0.0004496800000000,  0.0002971900000000 ]  - [  -0.0031892100000000,  0.0004491600000000, -0.0061923500000000 ]  - [  -0.0010094400000000,  0.0004781800000000,  0.0016490100000000 ]  - [  -0.0039001400000000, -0.0003965400000000, -0.0020290900000000 ]  - [  -0.0008727100000000, -0.0001558400000000,  0.0003219900000000 ]  - [  -0.1215208200000000, -0.0039422000000000, -0.0233218400000000 ]  - [  -0.0038095600000000, -0.0016733300000000, -0.0007057800000000 ]  - [  -0.0071521000000000, -0.0008382500000000, -0.0020869100000000 ]  - [  -0.0064862900000000, -0.0006489700000000,  0.0004188000000000 ]  - [  -0.0048006800000000,  0.0009097500000000, -0.0007030400000000 ]  - [  -0.0061906500000000,  0.0008279500000000,  0.0005534200000000 ]  - [  -0.0061925900000000,  0.0004343900000000, -0.0005247400000000 ]  - [  -0.0047975300000000,  0.0020767000000000, -0.0006834600000000 ]  - [  -0.0073740500000000,  0.0030770900000000,  0.0034811700000000 ]  - [  -0.0012332800000000, -0.0004971300000000,  0.0000399500000000 ]  - [  -0.0029161500000000, -0.0000684600000000, -0.0008614700000000 ]  - [  -0.0015578600000000,  0.0000017400000000,  0.0003119100000000 ]  - [  -0.0020122800000000,  0.0002822800000000,  0.0005328000000000 ]  - [  -0.0011950400000000, -0.0001523400000000,  0.0004299100000000 ]  - [  -0.0012637600000000, -0.0003057800000000,  0.0000897600000000 ]  - [  -0.0017188600000000,  0.0000615300000000,  0.0004818300000000 ]  - [  -0.0045103300000000, -0.0009242500000000, -0.0003598600000000 ]  - [  -0.0045030700000000,  0.0004074700000000, -0.0012480100000000 ]  - [  -0.0055561000000000, -0.0006631300000000, -0.0008564600000000 ]  - [  -0.0055541700000000, -0.0003466600000000, -0.0007250600000000 ]  - [  -0.0076659300000000, -0.0002361200000000, -0.0061801900000000 ]  - [  -0.0052074900000000,  0.0000736900000000, -0.0004976800000000 ]  - [  -0.0076622800000000,  0.0011202200000000, -0.0032344000000000 ]  - [  -0.0052083700000000,  0.0006458800000000, -0.0007161500000000 ]  - [   0.0005966500000000, -0.0031519800000000,  0.0057073400000000 ]  - [  -0.0057744600000000, -0.0030915000000000, -0.0055130200000000 ]  - [  -0.0049117400000000, -0.0033835100000000, -0.0037573300000000 ]  - [  -0.0049269800000000, -0.0031929400000000, -0.0057349200000000 ]  - [  -0.0069710400000000,  0.0008809200000000, -0.0055746800000000 ]  - [  -0.0057117400000000,  0.0030660800000000, -0.0054400900000000 ]  - [  -0.0059550400000000,  0.0025388900000000, -0.0056305700000000 ]  - [  -0.0054078800000000,  0.0031939900000000, -0.0055209300000000 ]  - [   0.0769168400000000, -0.0112592700000000,  0.0397154000000000 ]  - [   0.0059979100000000, -0.0040403300000000,  0.0078447500000000 ]  - [   0.0081353600000000, -0.0033765500000000,  0.0085298000000000 ]  - [   0.0078009100000000, -0.0042334000000000,  0.0079480600000000 ]  - [   0.0082898700000000,  0.0038086900000000,  0.0083286000000000 ]  - [   0.0073151400000000,  0.0038216500000000,  0.0082577100000000 ]  - [   0.0069870700000000,  0.0044709700000000,  0.0094425600000000 ]  - [   0.0077556400000000,  0.0038078200000000,  0.0079497000000000 ]  - [   0.0169727800000000, -0.0088285500000000, -0.0037991400000000 ]  - [   0.0025657600000000,  0.0065069000000000, -0.0026699600000000 ]  - [   0.0059433100000000,  0.0074284800000000, -0.0025684800000000 ]  - [   0.0054146500000000,  0.0070128600000000, -0.0024233800000000 ]  - [   0.0051705700000000, -0.0090645500000000, -0.0006538100000000 ]  - [   0.0047499800000000, -0.0067439700000000, -0.0025209500000000 ]  - [   0.0056499600000000, -0.0058052300000000, -0.0010555500000000 ]  - [   0.0051146400000000, -0.0073234100000000, -0.0024468700000000 ]  - [  -0.0059668500000000, -0.0034429000000000, -0.0055381200000000 ]  - [  -0.0053856300000000, -0.0032740800000000, -0.0057308200000000 ]  - [  -0.0057869700000000, -0.0034178300000000, -0.0057334200000000 ]  - [  -0.0055790000000000, -0.0032193800000000, -0.0054763700000000 ]  - [   0.0191847500000000,  0.0252101200000000, -0.0133859600000000 ]  - [  -0.0054953700000000,  0.0033983000000000, -0.0052717200000000 ]  - [  -0.0046434200000000,  0.0025830300000000, -0.0053977800000000 ]  - [  -0.0055710100000000,  0.0033972000000000, -0.0058155300000000 ]  - [   0.0077656500000000, -0.0058563900000000,  0.0076826100000000 ]  - [   0.0076759800000000, -0.0039752200000000,  0.0083110500000000 ]  - [   0.0076591000000000, -0.0039748300000000,  0.0085373100000000 ]  - [   0.0076742500000000, -0.0039664200000000,  0.0082757700000000 ]  - [   0.0080974400000000,  0.0038965700000000,  0.0077092900000000 ]  - [   0.0076307100000000,  0.0040671000000000,  0.0084820800000000 ]  - [   0.0089590900000000,  0.0038021600000000,  0.0088712100000000 ]  - [   0.0072566400000000,  0.0041221100000000,  0.0081626800000000 ]  - [   0.0061434800000000,  0.0051007600000000, -0.0020941600000000 ]  - [   0.0051027000000000,  0.0075423800000000, -0.0022759400000000 ]  - [   0.0056419000000000,  0.0071281000000000, -0.0017425200000000 ]  - [   0.0053626400000000,  0.0069114400000000, -0.0023007800000000 ]  - [   0.0060681900000000, -0.0068928200000000, -0.0027799800000000 ]  - [   0.0051935600000000, -0.0069000600000000, -0.0021701500000000 ]  - [   0.0052815200000000, -0.0073460300000000, -0.0008587200000000 ]  - [   0.0055255200000000, -0.0068861000000000, -0.0022744700000000 ]- atom:    9  displacement:    [  -0.0099999820909379,  0.0000000000000000,  0.0000189256683174 ]  forces:  - [  -0.0090395000000000, -0.0110646800000000,  0.0051530800000000 ]  - [  -0.0069927600000000,  0.0018934400000000, -0.0005634200000000 ]  - [  -0.0024753000000000,  0.0005966600000000,  0.0000090200000000 ]  - [  -0.0023255700000000, -0.0005030000000000,  0.0001357800000000 ]  - [  -0.0006642700000000, -0.0003904700000000,  0.0066138200000000 ]  - [  -0.0028299300000000, -0.0004267700000000, -0.0012175000000000 ]  - [   0.0000392700000000,  0.0004440900000000,  0.0024653000000000 ]  - [  -0.0029682200000000,  0.0002126500000000,  0.0001091100000000 ]  - [   0.1069560300000000,  0.0027849800000000,  0.0196497600000000 ]  - [  -0.0081876400000000,  0.0003696300000000, -0.0009125400000000 ]  - [  -0.0048414200000000, -0.0004649600000000,  0.0004688600000000 ]  - [  -0.0055017100000000, -0.0006543300000000, -0.0020409200000000 ]  - [  -0.0071885300000000,  0.0003934700000000, -0.0009184000000000 ]  - [  -0.0057954000000000,  0.0004756800000000, -0.0021633900000000 ]  - [  -0.0057962200000000,  0.0008694400000000, -0.0010905100000000 ]  - [  -0.0071838900000000, -0.0007651900000000, -0.0009325600000000 ]  - [   0.0035286800000000, -0.0031323400000000, -0.0030646400000000 ]  - [  -0.0026032900000000,  0.0004444200000000,  0.0003975700000000 ]  - [  -0.0009244000000000,  0.0000146400000000,  0.0012897800000000 ]  - [  -0.0022846700000000, -0.0000570300000000,  0.0001217100000000 ]  - [  -0.0018248600000000, -0.0002268300000000, -0.0000965800000000 ]  - [  -0.0026426900000000,  0.0002093500000000,  0.0000003200000000 ]  - [  -0.0025701400000000,  0.0003569200000000,  0.0003407000000000 ]  - [  -0.0021198400000000, -0.0000073200000000, -0.0000496400000000 ]  - [  -0.0074835300000000, -0.0003809400000000, -0.0012548700000000 ]  - [  -0.0074710300000000, -0.0017073300000000, -0.0003708200000000 ]  - [  -0.0064345600000000, -0.0006414500000000, -0.0007611900000000 ]  - [  -0.0064301200000000, -0.0009554000000000, -0.0008893500000000 ]  - [  -0.0043408800000000,  0.0015453000000000,  0.0045581400000000 ]  - [  -0.0067851700000000,  0.0012326200000000, -0.0011177300000000 ]  - [  -0.0043474800000000,  0.0001846200000000,  0.0016189600000000 ]  - [  -0.0067807800000000,  0.0006571300000000, -0.0009002400000000 ]  - [  -0.0113749300000000, -0.0033134700000000, -0.0164855700000000 ]  - [  -0.0051037200000000, -0.0033880700000000, -0.0054816300000000 ]  - [  -0.0059671100000000, -0.0030951500000000, -0.0072245500000000 ]  - [  -0.0059508200000000, -0.0032861700000000, -0.0052550300000000 ]  - [  -0.0039240900000000,  0.0055801000000000, -0.0054176000000000 ]  - [  -0.0051839300000000,  0.0034143600000000, -0.0055486700000000 ]  - [  -0.0049264700000000,  0.0039455100000000, -0.0053602800000000 ]  - [  -0.0054709700000000,  0.0032837200000000, -0.0054699000000000 ]  - [  -0.0585274000000000,  0.0034468600000000, -0.0217222300000000 ]  - [   0.0095844200000000, -0.0037258500000000,  0.0087213400000000 ]  - [   0.0074324000000000, -0.0043916200000000,  0.0080350800000000 ]  - [   0.0077778700000000, -0.0035341300000000,  0.0086235800000000 ]  - [   0.0072809100000000,  0.0039636900000000,  0.0082386400000000 ]  - [   0.0082541600000000,  0.0039477800000000,  0.0083075900000000 ]  - [   0.0085829200000000,  0.0033021700000000,  0.0071316100000000 ]  - [   0.0078206400000000,  0.0039585300000000,  0.0086153300000000 ]  - [  -0.0059234400000000,  0.0230662600000000, -0.0004841900000000 ]  - [   0.0085807200000000,  0.0074032100000000, -0.0017136100000000 ]  - [   0.0051935000000000,  0.0064667400000000, -0.0018256000000000 ]  - [   0.0057185600000000,  0.0068858700000000, -0.0019610500000000 ]  - [   0.0059594600000000, -0.0048464500000000, -0.0037253400000000 ]  - [   0.0063813100000000, -0.0071548300000000, -0.0018616000000000 ]  - [   0.0054837100000000, -0.0080970300000000, -0.0033450700000000 ]  - [   0.0060123300000000, -0.0065731100000000, -0.0019381300000000 ]  - [  -0.0049146500000000, -0.0030380300000000, -0.0054517200000000 ]  - [  -0.0054933900000000, -0.0032043400000000, -0.0052671600000000 ]  - [  -0.0050934900000000, -0.0030545600000000, -0.0052549100000000 ]  - [  -0.0053003600000000, -0.0032611400000000, -0.0055139000000000 ]  - [  -0.0302579900000000, -0.0193080600000000,  0.0026283800000000 ]  - [  -0.0053873700000000,  0.0030754600000000, -0.0057161000000000 ]  - [  -0.0062284700000000,  0.0038958000000000, -0.0055971900000000 ]  - [  -0.0053094200000000,  0.0030843600000000, -0.0051733600000000 ]  - [   0.0078212000000000, -0.0019086100000000,  0.0088856300000000 ]  - [   0.0078906600000000, -0.0037939600000000,  0.0082525300000000 ]  - [   0.0079163900000000, -0.0037884600000000,  0.0080277500000000 ]  - [   0.0078922200000000, -0.0038028300000000,  0.0082867600000000 ]  - [   0.0074741300000000,  0.0038772200000000,  0.0088573100000000 ]  - [   0.0079418400000000,  0.0037017600000000,  0.0080831900000000 ]  - [   0.0066195700000000,  0.0039630300000000,  0.0076872400000000 ]  - [   0.0083107800000000,  0.0036489000000000,  0.0084025200000000 ]  - [   0.0049813400000000,  0.0087972700000000, -0.0022858200000000 ]  - [   0.0060242600000000,  0.0063624300000000, -0.0021123900000000 ]  - [   0.0054869000000000,  0.0067655300000000, -0.0026455000000000 ]  - [   0.0057716500000000,  0.0069890800000000, -0.0020833200000000 ]  - [   0.0050625100000000, -0.0070065200000000, -0.0016016200000000 ]  - [   0.0059377100000000, -0.0069971200000000, -0.0022153300000000 ]  - [   0.0058510100000000, -0.0065548200000000, -0.0035168200000000 ]  - [   0.0056027400000000, -0.0070083200000000, -0.0021168900000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0008467600000000, -0.0004879300000000,  0.0025295700000000 ]  - [  -0.0105335200000000, -0.0015115100000000, -0.0038680000000000 ]  - [  -0.0024983000000000, -0.0000672200000000,  0.0011076800000000 ]  - [  -0.0014883100000000, -0.0000915600000000,  0.0005547200000000 ]  - [  -0.0009604800000000, -0.0015858200000000,  0.0099903800000000 ]  - [  -0.0021199200000000, -0.0000737900000000, -0.0002577300000000 ]  - [  -0.0030637600000000, -0.0016270500000000, -0.0023310400000000 ]  - [  -0.0029849000000000, -0.0000139200000000,  0.0003772700000000 ]  - [  -0.0082533300000000, -0.0816091000000000, -0.0017400300000000 ]  - [  -0.0070213400000000,  0.0001758400000000, -0.0011811000000000 ]  - [  -0.0061823200000000,  0.0001072100000000, -0.0006057900000000 ]  - [  -0.0059923700000000, -0.0011657500000000, -0.0007877100000000 ]  - [  -0.0074156300000000,  0.0008791400000000, -0.0000274800000000 ]  - [  -0.0057771400000000,  0.0012794500000000, -0.0007730800000000 ]  - [  -0.0061762500000000,  0.0012794600000000, -0.0012368200000000 ]  - [  -0.0062534800000000,  0.0008771900000000, -0.0007386300000000 ]  - [  -0.0044123100000000,  0.0085696100000000,  0.0026905600000000 ]  - [  -0.0012400300000000, -0.0008187000000000,  0.0002366900000000 ]  - [  -0.0017435700000000, -0.0008380200000000, -0.0010104900000000 ]  - [  -0.0018897000000000,  0.0001386000000000,  0.0000812000000000 ]  - [  -0.0024045900000000,  0.0009621100000000, -0.0003093200000000 ]  - [  -0.0008412800000000,  0.0002130100000000,  0.0000183100000000 ]  - [  -0.0018836000000000,  0.0002676900000000,  0.0001586300000000 ]  - [  -0.0012048600000000,  0.0004142300000000,  0.0005735700000000 ]  - [  -0.0049338300000000,  0.0008639300000000, -0.0008208000000000 ]  - [  -0.0062630300000000,  0.0008623900000000, -0.0005730900000000 ]  - [  -0.0056912800000000, -0.0004268900000000, -0.0006112700000000 ]  - [  -0.0060062500000000, -0.0004263700000000, -0.0009059600000000 ]  - [  -0.0064840300000000, -0.0004540400000000, -0.0108633100000000 ]  - [  -0.0059886400000000,  0.0004411100000000, -0.0004837800000000 ]  - [  -0.0050991200000000, -0.0004410300000000,  0.0017613900000000 ]  - [  -0.0054169700000000,  0.0004395600000000, -0.0010500600000000 ]  - [  -0.0051297600000000,  0.0042691700000000, -0.0035722700000000 ]  - [  -0.0053898800000000, -0.0030533600000000, -0.0053755300000000 ]  - [  -0.0054588700000000, -0.0019792300000000, -0.0058904000000000 ]  - [  -0.0054628400000000, -0.0031049100000000, -0.0055463600000000 ]  - [  -0.0051881500000000,  0.0031142600000000, -0.0054415400000000 ]  - [  -0.0035499400000000,  0.0015298600000000, -0.0056451800000000 ]  - [  -0.0053221100000000,  0.0031200200000000, -0.0055219000000000 ]  - [  -0.0055148900000000,  0.0030932100000000, -0.0053221200000000 ]  - [   0.0037547700000000,  0.0016034700000000,  0.0039085200000000 ]  - [   0.0099647300000000, -0.0039116900000000,  0.0087597200000000 ]  - [   0.0079389400000000, -0.0038461400000000,  0.0082547300000000 ]  - [   0.0075202600000000, -0.0037488700000000,  0.0083701700000000 ]  - [   0.0079699000000000,  0.0039054900000000,  0.0089181400000000 ]  - [   0.0079731800000000,  0.0038551000000000,  0.0082055400000000 ]  - [   0.0089263200000000,  0.0029126800000000,  0.0058955700000000 ]  - [   0.0075958700000000,  0.0038112900000000,  0.0083237700000000 ]  - [  -0.0093335500000000,  0.0471295600000000,  0.0061678700000000 ]  - [   0.0068055200000000,  0.0073339800000000, -0.0022178600000000 ]  - [   0.0057282300000000,  0.0073236200000000, -0.0026740800000000 ]  - [   0.0057828600000000,  0.0070935500000000, -0.0023674500000000 ]  - [   0.0054743500000000, -0.0069612400000000, -0.0021435700000000 ]  - [   0.0067902400000000, -0.0073059400000000, -0.0016639000000000 ]  - [   0.0052883400000000, -0.0072930900000000, -0.0032951100000000 ]  - [   0.0057126000000000, -0.0068587300000000, -0.0022809800000000 ]  - [  -0.0053569900000000, -0.0036433200000000, -0.0055534300000000 ]  - [  -0.0055855800000000, -0.0036910000000000, -0.0055537100000000 ]  - [  -0.0053761800000000, -0.0036250400000000, -0.0054043500000000 ]  - [  -0.0055008700000000, -0.0037021700000000, -0.0056625700000000 ]  - [   0.0166057600000000,  0.0302194400000000, -0.0105676300000000 ]  - [  -0.0053311900000000,  0.0040070700000000, -0.0053583100000000 ]  - [  -0.0058968600000000,  0.0040701900000000, -0.0052248900000000 ]  - [  -0.0056015400000000,  0.0033305500000000, -0.0055938400000000 ]  - [   0.0070043500000000, -0.0056995700000000,  0.0083443400000000 ]  - [   0.0080106700000000, -0.0042550900000000,  0.0083399700000000 ]  - [   0.0076426700000000, -0.0044849300000000,  0.0081025900000000 ]  - [   0.0077799500000000, -0.0039255700000000,  0.0083019100000000 ]  - [   0.0079472100000000,  0.0038275100000000,  0.0081152500000000 ]  - [   0.0075510300000000,  0.0038089200000000,  0.0085694600000000 ]  - [   0.0090431000000000,  0.0034418100000000,  0.0097347300000000 ]  - [   0.0076701300000000,  0.0040126900000000,  0.0081972500000000 ]  - [   0.0065976900000000,  0.0053809100000000, -0.0023571000000000 ]  - [   0.0047901300000000,  0.0071446900000000, -0.0025414000000000 ]  - [   0.0056094300000000,  0.0069543500000000, -0.0021094600000000 ]  - [   0.0054704900000000,  0.0067888300000000, -0.0022560600000000 ]  - [   0.0054792000000000, -0.0071880400000000, -0.0033220300000000 ]  - [   0.0054027200000000, -0.0068662300000000, -0.0020938800000000 ]  - [   0.0047496500000000, -0.0071247600000000,  0.0001989400000000 ]  - [   0.0057962700000000, -0.0069450800000000, -0.0020560000000000 ]- atom:    9  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0046681200000000,  0.0004230100000000, -0.0021094600000000 ]  - [   0.0066813800000000,  0.0014739000000000,  0.0042844800000000 ]  - [  -0.0013396200000000,  0.0000106900000000, -0.0006726400000000 ]  - [  -0.0023504700000000,  0.0000343000000000, -0.0001210200000000 ]  - [  -0.0028683600000000,  0.0016557300000000, -0.0095354300000000 ]  - [  -0.0017199900000000,  0.0001298200000000,  0.0006906100000000 ]  - [  -0.0007713000000000,  0.0016654500000000,  0.0027569100000000 ]  - [  -0.0008555000000000,  0.0000687500000000,  0.0000560100000000 ]  - [  -0.0015278600000000,  0.0801724600000000, -0.0009635800000000 ]  - [  -0.0049709200000000, -0.0014810900000000, -0.0004344300000000 ]  - [  -0.0058041100000000, -0.0014152100000000, -0.0010013300000000 ]  - [  -0.0059921500000000, -0.0001401500000000, -0.0008267900000000 ]  - [  -0.0045722900000000,  0.0004238800000000, -0.0015901800000000 ]  - [  -0.0062085600000000,  0.0000219500000000, -0.0008369700000000 ]  - [  -0.0058135800000000,  0.0000237400000000, -0.0003774700000000 ]  - [  -0.0057333900000000,  0.0004213200000000, -0.0008745400000000 ]  - [   0.0005357700000000, -0.0086807800000000, -0.0022450400000000 ]  - [  -0.0025932700000000,  0.0007597500000000,  0.0001991600000000 ]  - [  -0.0020952400000000,  0.0007834400000000,  0.0014396200000000 ]  - [  -0.0019516600000000, -0.0001952000000000,  0.0003533700000000 ]  - [  -0.0014361000000000, -0.0009097400000000,  0.0007471200000000 ]  - [  -0.0029977600000000, -0.0001570700000000,  0.0004104400000000 ]  - [  -0.0019535900000000, -0.0002112900000000,  0.0002739900000000 ]  - [  -0.0026382900000000, -0.0003607600000000, -0.0001405900000000 ]  - [  -0.0070444400000000, -0.0021703900000000, -0.0007902600000000 ]  - [  -0.0057150500000000, -0.0021718700000000, -0.0010455900000000 ]  - [  -0.0062934100000000, -0.0008793500000000, -0.0010040000000000 ]  - [  -0.0059746400000000, -0.0008788600000000, -0.0007052800000000 ]  - [  -0.0055063400000000,  0.0017442900000000,  0.0092634900000000 ]  - [  -0.0059947900000000,  0.0008605700000000, -0.0011295500000000 ]  - [  -0.0068858500000000,  0.0017602700000000, -0.0033802300000000 ]  - [  -0.0065692300000000,  0.0008613000000000, -0.0005642300000000 ]  - [  -0.0057291900000000, -0.0107442000000000, -0.0071781200000000 ]  - [  -0.0054847500000000, -0.0034264500000000, -0.0056261800000000 ]  - [  -0.0054154400000000, -0.0044976400000000, -0.0051104000000000 ]  - [  -0.0054078100000000, -0.0033731300000000, -0.0054510700000000 ]  - [  -0.0056894700000000,  0.0033670300000000, -0.0055562100000000 ]  - [  -0.0073388400000000,  0.0049450100000000, -0.0053419500000000 ]  - [  -0.0055480900000000,  0.0033688000000000, -0.0054703800000000 ]  - [  -0.0053542500000000,  0.0033833400000000, -0.0056652000000000 ]  - [   0.0113988200000000, -0.0093428300000000,  0.0125053400000000 ]  - [   0.0056333800000000, -0.0038592000000000,  0.0078103300000000 ]  - [   0.0076228700000000, -0.0039212000000000,  0.0083001100000000 ]  - [   0.0080500900000000, -0.0040134600000000,  0.0081891100000000 ]  - [   0.0075960400000000,  0.0038565900000000,  0.0076417900000000 ]  - [   0.0075966500000000,  0.0039080100000000,  0.0083507000000000 ]  - [   0.0066432500000000,  0.0048474600000000,  0.0106715600000000 ]  - [   0.0079821600000000,  0.0039453200000000,  0.0082343500000000 ]  - [   0.0195517100000000, -0.0319734600000000, -0.0100269100000000 ]  - [   0.0043237600000000,  0.0065737300000000, -0.0021543700000000 ]  - [   0.0054031100000000,  0.0065687100000000, -0.0017228800000000 ]  - [   0.0053496800000000,  0.0068035000000000, -0.0020147400000000 ]  - [   0.0056626600000000, -0.0069292200000000, -0.0022437500000000 ]  - [   0.0043451300000000, -0.0065942200000000, -0.0027197700000000 ]  - [   0.0058364600000000, -0.0066158900000000, -0.0010957700000000 ]  - [   0.0054082000000000, -0.0070416800000000, -0.0021003800000000 ]  - [  -0.0055154700000000, -0.0028352700000000, -0.0054360600000000 ]  - [  -0.0052858700000000, -0.0027919600000000, -0.0054513600000000 ]  - [  -0.0054949700000000, -0.0028423500000000, -0.0055797600000000 ]  - [  -0.0053730200000000, -0.0027771200000000, -0.0053270400000000 ]  - [  -0.0283664200000000, -0.0247285100000000,  0.0000173400000000 ]  - [  -0.0055530400000000,  0.0024650400000000, -0.0056257400000000 ]  - [  -0.0049727000000000,  0.0024123200000000, -0.0057707000000000 ]  - [  -0.0052754500000000,  0.0031493000000000, -0.0053992000000000 ]  - [   0.0085822000000000, -0.0020787100000000,  0.0082110800000000 ]  - [   0.0075502500000000, -0.0035111800000000,  0.0082161000000000 ]  - [   0.0079236400000000, -0.0032855400000000,  0.0084588000000000 ]  - [   0.0077781100000000, -0.0038416000000000,  0.0082513700000000 ]  - [   0.0076207200000000,  0.0039280600000000,  0.0084411000000000 ]  - [   0.0080221100000000,  0.0039543900000000,  0.0079897000000000 ]  - [   0.0065334600000000,  0.0043139100000000,  0.0068146500000000 ]  - [   0.0078963500000000,  0.0037495300000000,  0.0083595800000000 ]  - [   0.0045302400000000,  0.0085177200000000, -0.0020165100000000 ]  - [   0.0063287700000000,  0.0067624800000000, -0.0018392300000000 ]  - [   0.0055264800000000,  0.0069303300000000, -0.0022726500000000 ]  - [   0.0056643400000000,  0.0071070800000000, -0.0021269300000000 ]  - [   0.0056521300000000, -0.0067065300000000, -0.0010598100000000 ]  - [   0.0057213400000000, -0.0070359400000000, -0.0022893200000000 ]  - [   0.0063750800000000, -0.0067809800000000, -0.0045807400000000 ]  - [   0.0053242900000000, -0.0069522300000000, -0.0023363900000000 ]- atom:    9  displacement:    [  -0.0031877315310266,  0.0000000000000000,  0.0094783103813970 ]  forces:  - [  -0.0038710200000000,  0.0013479600000000, -0.0015394500000000 ]  - [  -0.0070276300000000, -0.0007325400000000, -0.0022608200000000 ]  - [  -0.0021481500000000, -0.0000369500000000,  0.0012825300000000 ]  - [  -0.0012810000000000, -0.0005905200000000,  0.0012597800000000 ]  - [  -0.0028567600000000,  0.0025965600000000,  0.0052923200000000 ]  - [  -0.0019997300000000, -0.0004453100000000,  0.0006510900000000 ]  - [  -0.0065457100000000, -0.0097263200000000,  0.0044932400000000 ]  - [  -0.0022034500000000,  0.0004087200000000,  0.0005833000000000 ]  - [   0.0104768800000000,  0.0000999400000000, -0.0730100300000000 ]  - [  -0.0065943500000000, -0.0006768100000000, -0.0018057100000000 ]  - [  -0.0068253400000000, -0.0004037700000000,  0.0014760300000000 ]  - [  -0.0046679900000000, -0.0006317300000000, -0.0010521500000000 ]  - [  -0.0062566400000000,  0.0005025300000000, -0.0000313000000000 ]  - [  -0.0056612600000000,  0.0010012300000000, -0.0009662600000000 ]  - [  -0.0046449000000000,  0.0006887600000000, -0.0006225700000000 ]  - [  -0.0062696200000000, -0.0005387700000000, -0.0000357300000000 ]  - [   0.0029692100000000, -0.0037060100000000, -0.0041381300000000 ]  - [  -0.0023462500000000,  0.0000498200000000, -0.0009601600000000 ]  - [  -0.0025379900000000,  0.0013490500000000,  0.0009466500000000 ]  - [  -0.0018550900000000,  0.0000180900000000,  0.0006269700000000 ]  - [  -0.0014582100000000, -0.0006340200000000,  0.0002233900000000 ]  - [  -0.0020108400000000,  0.0001263000000000,  0.0006661900000000 ]  - [  -0.0022571900000000,  0.0013841900000000,  0.0011567100000000 ]  - [  -0.0014845800000000,  0.0002987200000000,  0.0003516900000000 ]  - [  -0.0068858300000000, -0.0003400900000000, -0.0020972900000000 ]  - [  -0.0060431200000000, -0.0010023000000000, -0.0018127200000000 ]  - [  -0.0060548700000000, -0.0007406500000000, -0.0002663700000000 ]  - [  -0.0061766200000000, -0.0005603700000000, -0.0003069900000000 ]  - [  -0.0077676400000000, -0.0015192300000000,  0.0041103600000000 ]  - [  -0.0061558700000000,  0.0010649800000000, -0.0005049700000000 ]  - [  -0.0105461100000000,  0.0100215300000000,  0.0031439800000000 ]  - [  -0.0059494000000000,  0.0003467000000000, -0.0004369700000000 ]  - [   0.0045059000000000, -0.0014292000000000,  0.0339811700000000 ]  - [  -0.0055237000000000, -0.0032619000000000, -0.0053333100000000 ]  - [  -0.0052175700000000, -0.0030755200000000, -0.0074005900000000 ]  - [  -0.0056448800000000, -0.0031810300000000, -0.0056716300000000 ]  - [  -0.0052001800000000,  0.0032418800000000, -0.0051856800000000 ]  - [  -0.0043929400000000,  0.0026399000000000, -0.0056772500000000 ]  - [  -0.0054239400000000,  0.0034040700000000, -0.0057754400000000 ]  - [  -0.0055529200000000,  0.0033842900000000, -0.0057341900000000 ]  - [   0.0137965100000000, -0.0069114300000000,  0.0142627500000000 ]  - [   0.0088242400000000, -0.0036719800000000,  0.0089335400000000 ]  - [   0.0080101100000000, -0.0038085500000000,  0.0079308000000000 ]  - [   0.0069227300000000, -0.0036413900000000,  0.0086922200000000 ]  - [   0.0069795300000000,  0.0056521000000000,  0.0080045100000000 ]  - [   0.0082211600000000,  0.0041370600000000,  0.0081051300000000 ]  - [   0.0080434100000000,  0.0039384400000000,  0.0076440600000000 ]  - [   0.0075978500000000,  0.0038901000000000,  0.0082662800000000 ]  - [   0.0001259100000000,  0.0207651000000000,  0.0053006900000000 ]  - [   0.0048926300000000,  0.0063179300000000, -0.0023369700000000 ]  - [   0.0059708800000000,  0.0074669200000000, -0.0041313200000000 ]  - [   0.0053483400000000,  0.0069883200000000, -0.0023506200000000 ]  - [   0.0067887500000000, -0.0056704200000000, -0.0020813800000000 ]  - [   0.0062336000000000, -0.0076499900000000, -0.0018850300000000 ]  - [   0.0054339500000000, -0.0070521200000000, -0.0027076900000000 ]  - [   0.0055010500000000, -0.0066092900000000, -0.0025118100000000 ]  - [  -0.0054963000000000, -0.0032798700000000, -0.0053785300000000 ]  - [  -0.0057131700000000, -0.0032194600000000, -0.0050923600000000 ]  - [  -0.0053895500000000, -0.0031747400000000, -0.0055874300000000 ]  - [  -0.0053148900000000, -0.0032430000000000, -0.0057861400000000 ]  - [  -0.0212468800000000, -0.0092224700000000,  0.0050633600000000 ]  - [  -0.0051854500000000,  0.0035915400000000, -0.0053647400000000 ]  - [  -0.0042127900000000,  0.0017106800000000, -0.0072766100000000 ]  - [  -0.0055502300000000,  0.0030746900000000, -0.0054474200000000 ]  - [   0.0075010600000000, -0.0022449500000000,  0.0090333500000000 ]  - [   0.0078715300000000, -0.0038169400000000,  0.0086867900000000 ]  - [   0.0077881000000000, -0.0039373300000000,  0.0082717800000000 ]  - [   0.0078216300000000, -0.0038907900000000,  0.0081570800000000 ]  - [   0.0089923600000000,  0.0018856500000000,  0.0074602000000000 ]  - [   0.0077748600000000,  0.0041249200000000,  0.0077290300000000 ]  - [   0.0069097400000000,  0.0045017800000000,  0.0074701000000000 ]  - [   0.0078032000000000,  0.0037854100000000,  0.0082676200000000 ]  - [   0.0049374800000000,  0.0077884500000000, -0.0019866300000000 ]  - [   0.0059114900000000,  0.0066120300000000, -0.0020038900000000 ]  - [   0.0056759100000000,  0.0065182700000000, -0.0024167700000000 ]  - [   0.0055473700000000,  0.0070188000000000, -0.0023162100000000 ]  - [   0.0050114700000000, -0.0083601200000000, -0.0011069200000000 ]  - [   0.0060559900000000, -0.0073149500000000, -0.0019624300000000 ]  - [   0.0058392700000000, -0.0068906400000000, -0.0028293100000000 ]  - [   0.0053644100000000, -0.0068999600000000, -0.0023387800000000 ]- atom:    9  displacement:    [   0.0031877315310266,  0.0000000000000000, -0.0094783103813970 ]  forces:  - [   0.0000244300000000, -0.0013923600000000,  0.0019942400000000 ]  - [   0.0031915300000000,  0.0006787200000000,  0.0027062700000000 ]  - [  -0.0016928300000000, -0.0000191800000000, -0.0008480300000000 ]  - [  -0.0025596500000000,  0.0005341500000000, -0.0008273300000000 ]  - [  -0.0010025800000000, -0.0025046700000000, -0.0048466400000000 ]  - [  -0.0018403400000000,  0.0005045600000000, -0.0002199600000000 ]  - [   0.0027070200000000,  0.0098113300000000, -0.0041117300000000 ]  - [  -0.0016377000000000, -0.0003512000000000, -0.0001551400000000 ]  - [  -0.0213080500000000, -0.0013025300000000,  0.0737406700000000 ]  - [  -0.0053927900000000, -0.0006263500000000,  0.0001944500000000 ]  - [  -0.0051601800000000, -0.0009016800000000, -0.0030867200000000 ]  - [  -0.0073131700000000, -0.0006699600000000, -0.0005652500000000 ]  - [  -0.0057282000000000,  0.0008028500000000, -0.0015879600000000 ]  - [  -0.0063172500000000,  0.0003050800000000, -0.0006532200000000 ]  - [  -0.0073425000000000,  0.0006134700000000, -0.0009949300000000 ]  - [  -0.0057106400000000,  0.0018515600000000, -0.0015823200000000 ]  - [  -0.0068029800000000,  0.0036515000000000,  0.0045802400000000 ]  - [  -0.0014933100000000, -0.0001067300000000,  0.0013968700000000 ]  - [  -0.0013063500000000, -0.0014001600000000, -0.0005194600000000 ]  - [  -0.0019882800000000, -0.0000733100000000, -0.0001944800000000 ]  - [  -0.0023838100000000,  0.0006929500000000,  0.0002029400000000 ]  - [  -0.0018290000000000, -0.0000678900000000, -0.0002369000000000 ]  - [  -0.0015804600000000, -0.0013339000000000, -0.0007312100000000 ]  - [  -0.0023604900000000, -0.0002414900000000,  0.0000738900000000 ]  - [  -0.0050997300000000, -0.0009663700000000,  0.0004840500000000 ]  - [  -0.0059400600000000, -0.0003016800000000,  0.0002028500000000 ]  - [  -0.0059276500000000, -0.0005659900000000, -0.0013487000000000 ]  - [  -0.0058052200000000, -0.0007430300000000, -0.0013071400000000 ]  - [  -0.0042418500000000,  0.0027891300000000, -0.0057180100000000 ]  - [  -0.0058256500000000,  0.0002404300000000, -0.0011108000000000 ]  - [  -0.0014371900000000, -0.0087407500000000, -0.0048083500000000 ]  - [  -0.0060360300000000,  0.0009583600000000, -0.0011807100000000 ]  - [  -0.0157687900000000, -0.0051414400000000, -0.0468783000000000 ]  - [  -0.0053554700000000, -0.0032175900000000, -0.0056671100000000 ]  - [  -0.0056647200000000, -0.0034007100000000, -0.0035883500000000 ]  - [  -0.0052286600000000, -0.0032947900000000, -0.0053353500000000 ]  - [  -0.0056819700000000,  0.0032400800000000, -0.0058172800000000 ]  - [  -0.0064940600000000,  0.0038338600000000, -0.0053147700000000 ]  - [  -0.0054516200000000,  0.0030780700000000, -0.0052181300000000 ]  - [  -0.0053237200000000,  0.0030908300000000, -0.0052566200000000 ]  - [   0.0013919100000000, -0.0008651500000000,  0.0020732100000000 ]  - [   0.0067539200000000, -0.0040926800000000,  0.0076247400000000 ]  - [   0.0075551000000000, -0.0039566700000000,  0.0086239100000000 ]  - [   0.0086463500000000, -0.0041229100000000,  0.0078701100000000 ]  - [   0.0085862600000000,  0.0021076000000000,  0.0085632700000000 ]  - [   0.0073446200000000,  0.0036307100000000,  0.0084539500000000 ]  - [   0.0075235100000000,  0.0038300800000000,  0.0089263400000000 ]  - [   0.0079808400000000,  0.0038689300000000,  0.0082922300000000 ]  - [   0.0109161900000000, -0.0066646000000000, -0.0097562700000000 ]  - [   0.0062422900000000,  0.0075876500000000, -0.0020424300000000 ]  - [   0.0051639400000000,  0.0064341100000000, -0.0002705600000000 ]  - [   0.0057762100000000,  0.0069132100000000, -0.0020373500000000 ]  - [   0.0043395500000000, -0.0082321600000000, -0.0023049600000000 ]  - [   0.0048995100000000, -0.0062475000000000, -0.0024958500000000 ]  - [   0.0056919700000000, -0.0068507200000000, -0.0016709100000000 ]  - [   0.0056193600000000, -0.0072846300000000, -0.0018747900000000 ]  - [  -0.0053806700000000, -0.0031988300000000, -0.0056179000000000 ]  - [  -0.0051628500000000, -0.0032590900000000, -0.0059112100000000 ]  - [  -0.0054889000000000, -0.0032931900000000, -0.0053983300000000 ]  - [  -0.0055622000000000, -0.0032376500000000, -0.0052119300000000 ]  - [   0.0101848800000000,  0.0154159900000000, -0.0160896000000000 ]  - [  -0.0056981000000000,  0.0028849100000000, -0.0056248100000000 ]  - [  -0.0066552800000000,  0.0047645400000000, -0.0037262400000000 ]  - [  -0.0053326900000000,  0.0034055100000000, -0.0055447300000000 ]  - [   0.0080792200000000, -0.0055250100000000,  0.0075254300000000 ]  - [   0.0076981000000000, -0.0039476700000000,  0.0078692200000000 ]  - [   0.0077853900000000, -0.0038286200000000,  0.0082902800000000 ]  - [   0.0077417400000000, -0.0038788200000000,  0.0083996200000000 ]  - [   0.0065757700000000,  0.0058894000000000,  0.0091046500000000 ]  - [   0.0078042400000000,  0.0036432700000000,  0.0088329100000000 ]  - [   0.0086697500000000,  0.0032665900000000,  0.0090910900000000 ]  - [   0.0077613000000000,  0.0039826800000000,  0.0082902100000000 ]  - [   0.0061880600000000,  0.0061107200000000, -0.0023964800000000 ]  - [   0.0052113200000000,  0.0072953200000000, -0.0023837100000000 ]  - [   0.0054526500000000,  0.0073739300000000, -0.0019695300000000 ]  - [   0.0055832900000000,  0.0068847200000000, -0.0020677300000000 ]  - [   0.0061134000000000, -0.0055306600000000, -0.0032762500000000 ]  - [   0.0050662200000000, -0.0065814100000000, -0.0024243100000000 ]  - [   0.0052850500000000, -0.0070120000000000, -0.0015459900000000 ]  - [   0.0057587600000000, -0.0069930500000000, -0.0020548600000000 ]- atom:   33  displacement:    [   0.0099999820909379,  0.0000000000000000, -0.0000189256683174 ]  forces:  - [  -0.0021350900000000, -0.0007075600000000, -0.0004363300000000 ]  - [  -0.0029656800000000, -0.0000118000000000, -0.0005348800000000 ]  - [  -0.0019516700000000,  0.0001586400000000,  0.0004258100000000 ]  - [  -0.0024262000000000, -0.0005833500000000,  0.0002089400000000 ]  - [  -0.0014553000000000, -0.0004772500000000,  0.0016959000000000 ]  - [  -0.0020476800000000, -0.0001307200000000,  0.0000299800000000 ]  - [   0.0173708600000000,  0.0213913900000000, -0.0078135800000000 ]  - [  -0.0023457900000000,  0.0001236400000000,  0.0003890200000000 ]  - [  -0.0000824100000000, -0.0003614300000000,  0.0117372100000000 ]  - [  -0.0063329800000000, -0.0006013900000000, -0.0010080900000000 ]  - [  -0.0054683900000000, -0.0006722400000000, -0.0003923100000000 ]  - [  -0.0054817900000000, -0.0006792200000000, -0.0008502400000000 ]  - [  -0.0065105400000000,  0.0005373900000000, -0.0009615000000000 ]  - [  -0.0059692600000000,  0.0007337700000000, -0.0009179900000000 ]  - [  -0.0075138900000000,  0.0004009400000000, -0.0010663800000000 ]  - [  -0.0062541500000000, -0.0012505800000000,  0.0002229000000000 ]  - [  -0.0011783500000000, -0.0006512700000000,  0.0005967000000000 ]  - [  -0.0021815200000000,  0.0001023600000000, -0.0003088500000000 ]  - [  -0.0014973000000000,  0.0000932000000000,  0.0006731500000000 ]  - [  -0.0021264100000000,  0.0000103500000000,  0.0002893500000000 ]  - [  -0.0018747500000000, -0.0001427100000000,  0.0002461700000000 ]  - [  -0.0022858300000000,  0.0001084500000000,  0.0000879400000000 ]  - [  -0.0019927600000000,  0.0018642600000000,  0.0017855300000000 ]  - [  -0.0031038000000000,  0.0004853300000000,  0.0002180200000000 ]  - [  -0.0065239500000000, -0.0005717700000000, -0.0010444000000000 ]  - [  -0.0059395800000000, -0.0008003100000000, -0.0010772900000000 ]  - [  -0.0063394100000000, -0.0005944100000000, -0.0008677600000000 ]  - [  -0.0061328800000000, -0.0007148800000000, -0.0007185300000000 ]  - [  -0.0052050800000000,  0.0011103000000000,  0.0007509400000000 ]  - [  -0.0061229900000000,  0.0008130800000000, -0.0009643500000000 ]  - [   0.0188051000000000, -0.0221414300000000, -0.0092233100000000 ]  - [  -0.0060554300000000,  0.0005367800000000, -0.0005545000000000 ]  - [  -0.0653857000000000, -0.0005781800000000,  0.0022484900000000 ]  - [  -0.0054200700000000, -0.0032442000000000, -0.0055552800000000 ]  - [  -0.0056547000000000, -0.0032525000000000, -0.0058395000000000 ]  - [  -0.0054519500000000, -0.0032179500000000, -0.0053266000000000 ]  - [  -0.0052465000000000,  0.0034037200000000, -0.0052510100000000 ]  - [  -0.0052678500000000,  0.0032806700000000, -0.0053477400000000 ]  - [  -0.0052662200000000,  0.0034223000000000, -0.0056405600000000 ]  - [  -0.0052477500000000,  0.0033530300000000, -0.0053345600000000 ]  - [   0.0091738700000000, -0.0035308400000000,  0.0112908300000000 ]  - [   0.0080792700000000, -0.0038280600000000,  0.0084479500000000 ]  - [   0.0076061400000000, -0.0039864800000000,  0.0082484800000000 ]  - [   0.0080255400000000, -0.0035367200000000,  0.0091911400000000 ]  - [   0.0076711400000000,  0.0007513500000000,  0.0081836500000000 ]  - [   0.0088516800000000,  0.0041989300000000,  0.0081912500000000 ]  - [   0.0081535200000000,  0.0036159600000000,  0.0077328800000000 ]  - [   0.0077569700000000,  0.0039133100000000,  0.0083032100000000 ]  - [   0.0061253400000000,  0.0059331100000000, -0.0055885600000000 ]  - [   0.0057296400000000,  0.0069686300000000, -0.0020331900000000 ]  - [   0.0050146400000000,  0.0073016800000000, -0.0018906800000000 ]  - [   0.0055044500000000,  0.0068970100000000, -0.0022613000000000 ]  - [   0.0085218300000000, -0.0027194900000000, -0.0031512900000000 ]  - [   0.0079210900000000, -0.0078510700000000, -0.0019367900000000 ]  - [   0.0054766100000000, -0.0070771100000000, -0.0024425500000000 ]  - [   0.0057728900000000, -0.0067419000000000, -0.0022161800000000 ]  - [  -0.0050967200000000, -0.0033098500000000, -0.0054573600000000 ]  - [  -0.0050943900000000, -0.0033409100000000, -0.0055341600000000 ]  - [  -0.0053260900000000, -0.0032082200000000, -0.0055005900000000 ]  - [  -0.0053291700000000, -0.0032661700000000, -0.0054463100000000 ]  - [  -0.0059653400000000,  0.0043873300000000, -0.0092635500000000 ]  - [  -0.0054219900000000,  0.0032573900000000, -0.0053747800000000 ]  - [  -0.0059640900000000,  0.0027817000000000, -0.0059023100000000 ]  - [  -0.0054221800000000,  0.0031753000000000, -0.0055363000000000 ]  - [   0.0079909400000000, -0.0036599500000000,  0.0082200100000000 ]  - [   0.0077487100000000, -0.0038968000000000,  0.0083704400000000 ]  - [   0.0078625500000000, -0.0039039000000000,  0.0081215500000000 ]  - [   0.0077923100000000, -0.0038769700000000,  0.0082724200000000 ]  - [   0.0101869600000000, -0.0008516600000000,  0.0063264800000000 ]  - [   0.0095235600000000,  0.0046533100000000,  0.0079711200000000 ]  - [   0.0074948700000000,  0.0039647500000000,  0.0081180400000000 ]  - [   0.0079152200000000,  0.0037922000000000,  0.0083556200000000 ]  - [   0.0054126200000000,  0.0072726200000000, -0.0023199800000000 ]  - [   0.0058092900000000,  0.0068439200000000, -0.0020427900000000 ]  - [   0.0054826000000000,  0.0068009400000000, -0.0024011700000000 ]  - [   0.0058229400000000,  0.0068972200000000, -0.0022109300000000 ]  - [   0.0055317500000000, -0.0043202200000000, -0.0023778200000000 ]  - [   0.0066929000000000, -0.0072902700000000, -0.0021334400000000 ]  - [   0.0056772800000000, -0.0068065700000000, -0.0026664200000000 ]  - [   0.0055564800000000, -0.0069479800000000, -0.0022271800000000 ]- atom:   33  displacement:    [  -0.0099999820909379,  0.0000000000000000,  0.0000189256683174 ]  forces:  - [  -0.0016983100000000,  0.0006581000000000,  0.0008619200000000 ]  - [  -0.0008680200000000, -0.0000414200000000,  0.0009753800000000 ]  - [  -0.0018855900000000, -0.0002076700000000,  0.0000069100000000 ]  - [  -0.0014087600000000,  0.0005323800000000,  0.0002274600000000 ]  - [  -0.0023812100000000,  0.0005281300000000, -0.0012701700000000 ]  - [  -0.0017929200000000,  0.0001848400000000,  0.0004019700000000 ]  - [  -0.0212241300000000, -0.0209173600000000,  0.0080497900000000 ]  - [  -0.0015008800000000, -0.0000624800000000,  0.0000421200000000 ]  - [  -0.0120662200000000, -0.0009536700000000, -0.0135170700000000 ]  - [  -0.0056632100000000, -0.0007026800000000, -0.0006096100000000 ]  - [  -0.0065205800000000, -0.0006330300000000, -0.0012259200000000 ]  - [  -0.0065109100000000, -0.0006233000000000, -0.0007663000000000 ]  - [  -0.0054825900000000,  0.0007652200000000, -0.0006540400000000 ]  - [  -0.0060286100000000,  0.0005708800000000, -0.0007003300000000 ]  - [  -0.0044704300000000,  0.0009037100000000, -0.0005543900000000 ]  - [  -0.0057328600000000,  0.0025385300000000, -0.0018279200000000 ]  - [  -0.0026627200000000,  0.0006048600000000, -0.0001599800000000 ]  - [  -0.0016588500000000, -0.0001550100000000,  0.0007364900000000 ]  - [  -0.0023364500000000, -0.0001399600000000, -0.0002433100000000 ]  - [  -0.0017152400000000, -0.0000614300000000,  0.0001419200000000 ]  - [  -0.0019664100000000,  0.0001958900000000,  0.0001868200000000 ]  - [  -0.0015479600000000, -0.0000553900000000,  0.0003442900000000 ]  - [  -0.0018397000000000, -0.0018078600000000, -0.0013422200000000 ]  - [  -0.0007292400000000, -0.0004334300000000,  0.0002080300000000 ]  - [  -0.0054704400000000, -0.0007302000000000, -0.0005715600000000 ]  - [  -0.0060486100000000, -0.0005042700000000, -0.0005411500000000 ]  - [  -0.0056485800000000, -0.0007101300000000, -0.0007483700000000 ]  - [  -0.0058587000000000, -0.0005888900000000, -0.0008970800000000 ]  - [  -0.0067915200000000,  0.0001877000000000, -0.0023755900000000 ]  - [  -0.0058672500000000,  0.0004898900000000, -0.0006526600000000 ]  - [  -0.0306363000000000,  0.0228437600000000,  0.0073443500000000 ]  - [  -0.0059476000000000,  0.0007605200000000, -0.0010657800000000 ]  - [   0.0544217200000000, -0.0057154700000000, -0.0126504700000000 ]  - [  -0.0054579100000000, -0.0032432500000000, -0.0054382700000000 ]  - [  -0.0052216700000000, -0.0032202000000000, -0.0051439100000000 ]  - [  -0.0054181600000000, -0.0032604300000000, -0.0056672500000000 ]  - [  -0.0056297600000000,  0.0030820600000000, -0.0057450900000000 ]  - [  -0.0056099000000000,  0.0031835900000000, -0.0056466500000000 ]  - [  -0.0056063100000000,  0.0030665100000000, -0.0053503500000000 ]  - [  -0.0056301200000000,  0.0031272000000000, -0.0056498900000000 ]  - [   0.0064008400000000, -0.0042391400000000,  0.0052919400000000 ]  - [   0.0075022600000000, -0.0039288900000000,  0.0081093500000000 ]  - [   0.0079556700000000, -0.0037828500000000,  0.0083118800000000 ]  - [   0.0075455700000000, -0.0042386700000000,  0.0073645800000000 ]  - [   0.0079080400000000,  0.0070122100000000,  0.0083850800000000 ]  - [   0.0067228600000000,  0.0035767300000000,  0.0083714700000000 ]  - [   0.0074157300000000,  0.0041500100000000,  0.0088352500000000 ]  - [   0.0078260900000000,  0.0038464700000000,  0.0082586800000000 ]  - [   0.0050032500000000,  0.0079662200000000,  0.0012106300000000 ]  - [   0.0054061900000000,  0.0069326700000000, -0.0023456000000000 ]  - [   0.0061294100000000,  0.0065952500000000, -0.0025106300000000 ]  - [   0.0056350000000000,  0.0070000300000000, -0.0021292700000000 ]  - [   0.0026798800000000, -0.0111204300000000, -0.0012413000000000 ]  - [   0.0031787700000000, -0.0060201500000000, -0.0024414400000000 ]  - [   0.0056517300000000, -0.0068271400000000, -0.0019447200000000 ]  - [   0.0053538000000000, -0.0071573800000000, -0.0021729600000000 ]  - [  -0.0057778800000000, -0.0031757900000000, -0.0055282000000000 ]  - [  -0.0057789800000000, -0.0031386200000000, -0.0054677600000000 ]  - [  -0.0055484100000000, -0.0032621400000000, -0.0054831200000000 ]  - [  -0.0055495300000000, -0.0032147700000000, -0.0055464700000000 ]  - [  -0.0049010000000000,  0.0020944900000000, -0.0017248600000000 ]  - [  -0.0054550600000000,  0.0032181900000000, -0.0056127600000000 ]  - [  -0.0049112300000000,  0.0037056900000000, -0.0050878000000000 ]  - [  -0.0054553900000000,  0.0033120900000000, -0.0054492500000000 ]  - [   0.0075889300000000, -0.0041123800000000,  0.0083449900000000 ]  - [   0.0078187700000000, -0.0038663800000000,  0.0081890800000000 ]  - [   0.0077046000000000, -0.0038680300000000,  0.0084425900000000 ]  - [   0.0077684300000000, -0.0038947900000000,  0.0082898200000000 ]  - [   0.0054324400000000,  0.0085730000000000,  0.0102307200000000 ]  - [   0.0060205100000000,  0.0030908100000000,  0.0085982300000000 ]  - [   0.0080871500000000,  0.0037949300000000,  0.0084444500000000 ]  - [   0.0076523500000000,  0.0039763100000000,  0.0082048300000000 ]  - [   0.0057247900000000,  0.0066209600000000, -0.0020625300000000 ]  - [   0.0053182900000000,  0.0070607400000000, -0.0023441800000000 ]  - [   0.0056573300000000,  0.0070902000000000, -0.0019906100000000 ]  - [   0.0053161600000000,  0.0070035700000000, -0.0021669300000000 ]  - [   0.0056059100000000, -0.0095733500000000, -0.0020096300000000 ]  - [   0.0044538500000000, -0.0066095800000000, -0.0022476600000000 ]  - [   0.0054528600000000, -0.0070992500000000, -0.0017192100000000 ]  - [   0.0055729300000000, -0.0069470900000000, -0.0021687800000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0019454200000000,  0.0001867300000000, -0.0009711200000000 ]  - [  -0.0009875300000000,  0.0001469400000000,  0.0002991000000000 ]  - [  -0.0017666000000000,  0.0000993700000000,  0.0001065100000000 ]  - [  -0.0012461800000000,  0.0001453800000000,  0.0003628300000000 ]  - [  -0.0022160000000000,  0.0012424800000000, -0.0014493700000000 ]  - [  -0.0017283200000000,  0.0000928200000000,  0.0001567300000000 ]  - [   0.0182448400000000,  0.0330077800000000, -0.0075616500000000 ]  - [  -0.0013784900000000,  0.0007420000000000,  0.0006669300000000 ]  - [  -0.0058935000000000,  0.0068393400000000,  0.0011246500000000 ]  - [  -0.0058405500000000, -0.0004663100000000, -0.0007799300000000 ]  - [  -0.0061308100000000,  0.0006013000000000, -0.0006773700000000 ]  - [  -0.0059321400000000, -0.0005183000000000, -0.0007225800000000 ]  - [  -0.0052917900000000,  0.0005302000000000, -0.0007406400000000 ]  - [  -0.0059493400000000,  0.0005121600000000, -0.0009443400000000 ]  - [  -0.0036251100000000,  0.0005333300000000, -0.0000083200000000 ]  - [  -0.0058069500000000, -0.0010527300000000, -0.0001077700000000 ]  - [  -0.0017591400000000, -0.0010942800000000,  0.0016963700000000 ]  - [  -0.0019943000000000, -0.0000434700000000,  0.0007338600000000 ]  - [  -0.0017501700000000, -0.0007649300000000,  0.0006305000000000 ]  - [  -0.0020610100000000, -0.0000695400000000,  0.0002813000000000 ]  - [  -0.0019261000000000, -0.0001651000000000,  0.0004719200000000 ]  - [  -0.0023700300000000, -0.0001512300000000,  0.0002163800000000 ]  - [  -0.0020441500000000, -0.0021326200000000, -0.0008470200000000 ]  - [  -0.0036064100000000, -0.0002865600000000, -0.0002829800000000 ]  - [  -0.0062033200000000, -0.0010606700000000, -0.0009214000000000 ]  - [  -0.0060243800000000, -0.0011079100000000, -0.0007973600000000 ]  - [  -0.0061733700000000, -0.0010475000000000, -0.0007965800000000 ]  - [  -0.0059702700000000, -0.0011083200000000, -0.0008002200000000 ]  - [  -0.0053417600000000,  0.0014813100000000,  0.0010262400000000 ]  - [  -0.0061389100000000,  0.0007441200000000, -0.0006822900000000 ]  - [  -0.0277781200000000,  0.0276646000000000,  0.0045019800000000 ]  - [  -0.0061456600000000,  0.0014232700000000, -0.0012254800000000 ]  - [  -0.0037604700000000, -0.0937708700000000, -0.0056468100000000 ]  - [  -0.0054410700000000, -0.0039297100000000, -0.0054793900000000 ]  - [  -0.0054635900000000, -0.0038441300000000, -0.0055550900000000 ]  - [  -0.0054096600000000, -0.0033765300000000, -0.0054856900000000 ]  - [  -0.0055539600000000,  0.0034078300000000, -0.0053960300000000 ]  - [  -0.0056253600000000,  0.0034205400000000, -0.0055677000000000 ]  - [  -0.0054904800000000,  0.0034560500000000, -0.0056450100000000 ]  - [  -0.0056031500000000,  0.0033861600000000, -0.0058348300000000 ]  - [   0.0075763900000000, -0.0051594300000000,  0.0084687800000000 ]  - [   0.0075416600000000, -0.0039553000000000,  0.0082452800000000 ]  - [   0.0077856200000000, -0.0040609500000000,  0.0082109700000000 ]  - [   0.0075624200000000, -0.0040452700000000,  0.0081842000000000 ]  - [   0.0067495700000000,  0.0110715000000000,  0.0076467400000000 ]  - [   0.0079112100000000,  0.0042033400000000,  0.0081069500000000 ]  - [   0.0074264900000000,  0.0042757300000000,  0.0084153100000000 ]  - [   0.0078106500000000,  0.0038949800000000,  0.0082995700000000 ]  - [   0.0044289100000000,  0.0076878200000000,  0.0023952100000000 ]  - [   0.0055555000000000,  0.0069061400000000, -0.0020559400000000 ]  - [   0.0060927900000000,  0.0070958400000000, -0.0034089800000000 ]  - [   0.0054898600000000,  0.0068097500000000, -0.0022879600000000 ]  - [   0.0075573200000000, -0.0041750600000000, -0.0028266800000000 ]  - [   0.0029987600000000, -0.0067238600000000, -0.0026388500000000 ]  - [   0.0056265700000000, -0.0069407400000000, -0.0019708100000000 ]  - [   0.0053635000000000, -0.0069628400000000, -0.0021730100000000 ]  - [  -0.0055425600000000, -0.0026623300000000, -0.0054816200000000 ]  - [  -0.0055063900000000, -0.0026507300000000, -0.0054291900000000 ]  - [  -0.0054679400000000, -0.0029648900000000, -0.0054905500000000 ]  - [  -0.0054214000000000, -0.0029981900000000, -0.0054903900000000 ]  - [  -0.0049903000000000,  0.0043220400000000, -0.0110454900000000 ]  - [  -0.0053642200000000,  0.0030682200000000, -0.0055776200000000 ]  - [  -0.0065742100000000,  0.0043142400000000, -0.0039161000000000 ]  - [  -0.0054640400000000,  0.0030924500000000, -0.0053798300000000 ]  - [   0.0080106000000000, -0.0033605700000000,  0.0083061900000000 ]  - [   0.0077914200000000, -0.0037225600000000,  0.0082178600000000 ]  - [   0.0079106800000000, -0.0037229700000000,  0.0083959200000000 ]  - [   0.0077572900000000, -0.0038025700000000,  0.0083164500000000 ]  - [   0.0059613500000000,  0.0076478700000000,  0.0101684000000000 ]  - [   0.0098693400000000,  0.0041862400000000,  0.0086624900000000 ]  - [   0.0075966400000000,  0.0038656700000000,  0.0081125800000000 ]  - [   0.0078809800000000,  0.0038855400000000,  0.0082512900000000 ]  - [   0.0053927100000000,  0.0071365600000000, -0.0023090300000000 ]  - [   0.0056338800000000,  0.0070206100000000, -0.0021483300000000 ]  - [   0.0055368200000000,  0.0073284900000000, -0.0020819600000000 ]  - [   0.0057683900000000,  0.0070795600000000, -0.0020997900000000 ]  - [   0.0062305800000000, -0.0002975100000000, -0.0024949000000000 ]  - [   0.0052573500000000, -0.0065657900000000, -0.0023027300000000 ]  - [   0.0058008000000000, -0.0068304300000000, -0.0028338400000000 ]  - [   0.0055837500000000, -0.0069636000000000, -0.0023089100000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0018743600000000, -0.0002109300000000,  0.0013962800000000 ]  - [  -0.0028564900000000, -0.0001951500000000,  0.0001353600000000 ]  - [  -0.0020581900000000, -0.0001460100000000,  0.0003289200000000 ]  - [  -0.0025994100000000, -0.0002000000000000,  0.0000774700000000 ]  - [  -0.0016113400000000, -0.0012090700000000,  0.0018888800000000 ]  - [  -0.0021017300000000, -0.0000361200000000,  0.0002880300000000 ]  - [  -0.0211732900000000, -0.0317324100000000,  0.0074653200000000 ]  - [  -0.0024400200000000, -0.0006987400000000, -0.0002273600000000 ]  - [  -0.0060602500000000, -0.0081639100000000, -0.0028395100000000 ]  - [  -0.0061327000000000, -0.0008438100000000, -0.0008303400000000 ]  - [  -0.0058399800000000, -0.0019177000000000, -0.0009209900000000 ]  - [  -0.0060274900000000, -0.0007878100000000, -0.0008721800000000 ]  - [  -0.0066965900000000,  0.0007746300000000, -0.0008694300000000 ]  - [  -0.0060381600000000,  0.0007980200000000, -0.0006685000000000 ]  - [  -0.0083357400000000,  0.0007846400000000, -0.0015898300000000 ]  - [  -0.0061582700000000,  0.0023633600000000, -0.0014916100000000 ]  - [  -0.0020619700000000,  0.0010472800000000, -0.0012788500000000 ]  - [  -0.0018370100000000, -0.0000046400000000, -0.0002998400000000 ]  - [  -0.0020699100000000,  0.0007269600000000, -0.0001997500000000 ]  - [  -0.0017698300000000,  0.0000348900000000,  0.0001551300000000 ]  - [  -0.0019098100000000,  0.0002182500000000, -0.0000305200000000 ]  - [  -0.0014573200000000,  0.0001897100000000,  0.0002158600000000 ]  - [  -0.0017764000000000,  0.0021859200000000,  0.0012855600000000 ]  - [  -0.0002193800000000,  0.0003410100000000,  0.0007200000000000 ]  - [  -0.0057833900000000, -0.0002458800000000, -0.0006928200000000 ]  - [  -0.0059464200000000, -0.0002054500000000, -0.0008077800000000 ]  - [  -0.0058038700000000, -0.0002636400000000, -0.0008050300000000 ]  - [  -0.0060066600000000, -0.0001896200000000, -0.0008049100000000 ]  - [  -0.0066558000000000, -0.0001764900000000, -0.0026367700000000 ]  - [  -0.0058284500000000,  0.0005605100000000, -0.0009246000000000 ]  - [   0.0167191300000000, -0.0272834400000000, -0.0065403200000000 ]  - [  -0.0058181500000000, -0.0001185200000000, -0.0003662500000000 ]  - [  -0.0089010600000000,  0.0870065200000000, -0.0042245200000000 ]  - [  -0.0054437300000000, -0.0025951900000000, -0.0055089800000000 ]  - [  -0.0054320500000000, -0.0026305300000000, -0.0054039700000000 ]  - [  -0.0054553800000000, -0.0030987600000000, -0.0055028300000000 ]  - [  -0.0053351700000000,  0.0031037600000000, -0.0056149500000000 ]  - [  -0.0052641500000000,  0.0030341300000000, -0.0054148100000000 ]  - [  -0.0053933400000000,  0.0030548700000000, -0.0053347400000000 ]  - [  -0.0052865100000000,  0.0031013000000000, -0.0051345400000000 ]  - [   0.0079126000000000, -0.0026447800000000,  0.0080523600000000 ]  - [   0.0080155600000000, -0.0037972600000000,  0.0082984600000000 ]  - [   0.0077206800000000, -0.0037242900000000,  0.0083327100000000 ]  - [   0.0079545900000000, -0.0037314500000000,  0.0083622500000000 ]  - [   0.0087662300000000, -0.0031715200000000,  0.0089068300000000 ]  - [   0.0076049500000000,  0.0036002700000000,  0.0084440800000000 ]  - [   0.0081147100000000,  0.0035113200000000,  0.0081531100000000 ]  - [   0.0077921400000000,  0.0038470100000000,  0.0082546400000000 ]  - [   0.0066963900000000,  0.0062260100000000, -0.0067936200000000 ]  - [   0.0056123900000000,  0.0070274900000000, -0.0023078500000000 ]  - [   0.0050779700000000,  0.0068233200000000, -0.0010018000000000 ]  - [   0.0056781600000000,  0.0071106900000000, -0.0021292900000000 ]  - [   0.0036209900000000, -0.0097362200000000, -0.0015831600000000 ]  - [   0.0081425300000000, -0.0071881400000000, -0.0017394800000000 ]  - [   0.0055116300000000, -0.0070078300000000, -0.0024204200000000 ]  - [   0.0057581500000000, -0.0069606100000000, -0.0022401800000000 ]  - [  -0.0053441100000000, -0.0038475800000000, -0.0054901000000000 ]  - [  -0.0053762800000000, -0.0038433400000000, -0.0055809200000000 ]  - [  -0.0054210500000000, -0.0034727000000000, -0.0054805300000000 ]  - [  -0.0054729500000000, -0.0035079100000000, -0.0054992500000000 ]  - [  -0.0059045200000000,  0.0022036900000000,  0.0000530300000000 ]  - [  -0.0055127500000000,  0.0034058400000000, -0.0053994700000000 ]  - [  -0.0042995600000000,  0.0021928700000000, -0.0070946800000000 ]  - [  -0.0054247600000000,  0.0034173800000000, -0.0055842600000000 ]  - [   0.0075522700000000, -0.0044277000000000,  0.0082683500000000 ]  - [   0.0077398200000000, -0.0040415600000000,  0.0083250700000000 ]  - [   0.0076291800000000, -0.0040688500000000,  0.0081634300000000 ]  - [   0.0077436000000000, -0.0039948500000000,  0.0082405100000000 ]  - [   0.0096060200000000,  0.0001272400000000,  0.0063780900000000 ]  - [   0.0056168500000000,  0.0035801800000000,  0.0078640400000000 ]  - [   0.0079922600000000,  0.0038689600000000,  0.0084313900000000 ]  - [   0.0076398000000000,  0.0039117900000000,  0.0082991800000000 ]  - [   0.0057749000000000,  0.0067805500000000, -0.0020508200000000 ]  - [   0.0054931400000000,  0.0069233800000000, -0.0022594000000000 ]  - [   0.0056279200000000,  0.0065783000000000, -0.0023316600000000 ]  - [   0.0053958600000000,  0.0068503000000000, -0.0022771100000000 ]  - [   0.0048984900000000, -0.0137724400000000, -0.0019117800000000 ]  - [   0.0059097800000000, -0.0073480800000000, -0.0020835200000000 ]  - [   0.0053601500000000, -0.0071199300000000, -0.0015616800000000 ]  - [   0.0055368800000000, -0.0069515100000000, -0.0021268500000000 ]- atom:   33  displacement:    [  -0.0031877315310266,  0.0000000000000000,  0.0094783103813970 ]  forces:  - [  -0.0032433000000000, -0.0019896100000000,  0.0018325700000000 ]  - [  -0.0007934700000000,  0.0001115900000000,  0.0008076000000000 ]  - [  -0.0017348300000000,  0.0002186600000000, -0.0003934800000000 ]  - [  -0.0037776700000000, -0.0000280500000000, -0.0004268000000000 ]  - [  -0.0017941700000000,  0.0006378100000000, -0.0019267900000000 ]  - [  -0.0022320700000000,  0.0000137200000000,  0.0000207200000000 ]  - [  -0.0144109500000000, -0.0127945200000000,  0.0105392200000000 ]  - [  -0.0014152900000000,  0.0000848600000000,  0.0003050700000000 ]  - [   0.0029102700000000,  0.0010053900000000,  0.0400525400000000 ]  - [  -0.0059036200000000, -0.0005510800000000, -0.0005814800000000 ]  - [  -0.0045228600000000, -0.0010132200000000, -0.0022972500000000 ]  - [  -0.0063851000000000, -0.0006872200000000, -0.0010442600000000 ]  - [  -0.0059653900000000,  0.0007112400000000, -0.0010844600000000 ]  - [  -0.0060298100000000,  0.0004596100000000, -0.0010202900000000 ]  - [  -0.0055895000000000,  0.0006766100000000, -0.0004402500000000 ]  - [  -0.0058574200000000,  0.0014060100000000, -0.0013001800000000 ]  - [  -0.0023783700000000,  0.0009632700000000,  0.0005730300000000 ]  - [  -0.0018243400000000, -0.0000794800000000,  0.0006075400000000 ]  - [  -0.0005176900000000, -0.0026787900000000, -0.0000683600000000 ]  - [  -0.0018955000000000,  0.0000228400000000,  0.0000202300000000 ]  - [  -0.0020078700000000,  0.0002598500000000,  0.0000390400000000 ]  - [  -0.0019892700000000, -0.0000534600000000, -0.0000721400000000 ]  - [  -0.0016520700000000, -0.0009173300000000, -0.0004711500000000 ]  - [  -0.0015886900000000,  0.0000323800000000,  0.0004332200000000 ]  - [  -0.0058709200000000, -0.0007315200000000, -0.0006281200000000 ]  - [  -0.0062285400000000, -0.0006548300000000, -0.0003871500000000 ]  - [  -0.0061101700000000, -0.0005861800000000, -0.0009613300000000 ]  - [  -0.0059310000000000, -0.0007893700000000, -0.0011231600000000 ]  - [  -0.0061594300000000,  0.0002384800000000, -0.0030550300000000 ]  - [  -0.0062577900000000,  0.0006917200000000, -0.0008123300000000 ]  - [  -0.0213199800000000,  0.0126503600000000,  0.0098698500000000 ]  - [  -0.0057609600000000,  0.0005584700000000, -0.0006903500000000 ]  - [   0.0201579400000000, -0.0047657500000000, -0.0888127000000000 ]  - [  -0.0055023000000000, -0.0032261000000000, -0.0054841900000000 ]  - [  -0.0057016500000000, -0.0033032900000000, -0.0048429500000000 ]  - [  -0.0052710800000000, -0.0032348200000000, -0.0045549300000000 ]  - [  -0.0053552700000000,  0.0035219100000000, -0.0056573300000000 ]  - [  -0.0056346200000000,  0.0033656300000000, -0.0054429200000000 ]  - [  -0.0053539600000000,  0.0032630500000000, -0.0053469500000000 ]  - [  -0.0052661500000000,  0.0031038700000000, -0.0056204000000000 ]  - [   0.0104352300000000, -0.0026969100000000,  0.0112635000000000 ]  - [   0.0076015600000000, -0.0039551300000000,  0.0081503200000000 ]  - [   0.0073557900000000, -0.0041223300000000,  0.0084393500000000 ]  - [   0.0099903300000000, -0.0037528200000000,  0.0095785900000000 ]  - [   0.0075758600000000,  0.0059171800000000,  0.0077631500000000 ]  - [   0.0071413600000000,  0.0037546600000000,  0.0082661000000000 ]  - [   0.0071609600000000,  0.0037637800000000,  0.0099748600000000 ]  - [   0.0078715300000000,  0.0039002900000000,  0.0083340800000000 ]  - [   0.0041826200000000,  0.0080455700000000,  0.0026416800000000 ]  - [   0.0059152200000000,  0.0070620900000000, -0.0022790800000000 ]  - [   0.0045757600000000,  0.0042802200000000,  0.0021865200000000 ]  - [   0.0055267900000000,  0.0068726500000000, -0.0021360000000000 ]  - [   0.0045373200000000, -0.0084428200000000, -0.0027659200000000 ]  - [   0.0042897900000000, -0.0066717400000000, -0.0025333100000000 ]  - [   0.0056228400000000, -0.0071811800000000, -0.0020161400000000 ]  - [   0.0058119700000000, -0.0069810300000000, -0.0020790400000000 ]  - [  -0.0055806000000000, -0.0031406600000000, -0.0055448500000000 ]  - [  -0.0055157500000000, -0.0032018300000000, -0.0055321400000000 ]  - [  -0.0054303600000000, -0.0032277600000000, -0.0053821200000000 ]  - [  -0.0054868900000000, -0.0032375900000000, -0.0054016700000000 ]  - [  -0.0056657000000000,  0.0013509600000000,  0.0001278000000000 ]  - [  -0.0054891100000000,  0.0031344300000000, -0.0055496500000000 ]  - [  -0.0088230600000000,  0.0086163000000000, -0.0010206400000000 ]  - [  -0.0053400200000000,  0.0033485400000000, -0.0054983400000000 ]  - [   0.0077282800000000, -0.0041342500000000,  0.0083070100000000 ]  - [   0.0078299400000000, -0.0038595500000000,  0.0081696000000000 ]  - [   0.0077284600000000, -0.0034980800000000,  0.0085471700000000 ]  - [   0.0077072300000000, -0.0038939200000000,  0.0083617900000000 ]  - [   0.0069737500000000,  0.0060942100000000,  0.0089576600000000 ]  - [   0.0067453800000000,  0.0035794400000000,  0.0080071100000000 ]  - [   0.0078528500000000,  0.0037969900000000,  0.0084771500000000 ]  - [   0.0080098200000000,  0.0038555500000000,  0.0082213100000000 ]  - [   0.0057124900000000,  0.0068643400000000, -0.0021695300000000 ]  - [   0.0055038100000000,  0.0070678700000000, -0.0022570900000000 ]  - [   0.0054198200000000,  0.0072232200000000, -0.0021688100000000 ]  - [   0.0054914800000000,  0.0068368300000000, -0.0021843900000000 ]  - [   0.0055106800000000, -0.0087244500000000, -0.0027100400000000 ]  - [   0.0048884600000000, -0.0068294300000000, -0.0022960600000000 ]  - [   0.0051638700000000, -0.0067301800000000, -0.0006833000000000 ]  - [   0.0056350700000000, -0.0069961400000000, -0.0021205400000000 ]- atom:   33  displacement:    [   0.0031877315310266,  0.0000000000000000, -0.0094783103813970 ]  forces:  - [  -0.0005901800000000,  0.0019431900000000, -0.0013928700000000 ]  - [  -0.0030377500000000, -0.0001649400000000, -0.0003744200000000 ]  - [  -0.0020965200000000, -0.0002677800000000,  0.0008254300000000 ]  - [  -0.0000568200000000, -0.0000203300000000,  0.0008538600000000 ]  - [  -0.0020439700000000, -0.0005832400000000,  0.0023480600000000 ]  - [  -0.0016074100000000,  0.0000381500000000,  0.0004132600000000 ]  - [   0.0107484200000000,  0.0131909500000000, -0.0100723000000000 ]  - [  -0.0024113200000000, -0.0000316700000000,  0.0001247800000000 ]  - [  -0.0144636800000000, -0.0022242100000000, -0.0398271000000000 ]  - [  -0.0060900400000000, -0.0007532400000000, -0.0010346800000000 ]  - [  -0.0074650100000000, -0.0002874000000000,  0.0006785600000000 ]  - [  -0.0056021000000000, -0.0006168700000000, -0.0005765500000000 ]  - [  -0.0060332600000000,  0.0005917200000000, -0.0005345900000000 ]  - [  -0.0059620000000000,  0.0008425200000000, -0.0005964600000000 ]  - [  -0.0064152700000000,  0.0006228000000000, -0.0011789100000000 ]  - [  -0.0061294800000000, -0.0000933700000000, -0.0003203400000000 ]  - [  -0.0014624300000000, -0.0010016600000000, -0.0001267300000000 ]  - [  -0.0020119000000000,  0.0000292200000000, -0.0001729700000000 ]  - [  -0.0033241200000000,  0.0026359400000000,  0.0004879000000000 ]  - [  -0.0019440100000000, -0.0000691600000000,  0.0004138100000000 ]  - [  -0.0018321400000000, -0.0002063400000000,  0.0003958700000000 ]  - [  -0.0018421600000000,  0.0001042900000000,  0.0005040200000000 ]  - [  -0.0021786900000000,  0.0009551100000000,  0.0008938200000000 ]  - [  -0.0022651200000000,  0.0000287300000000, -0.0000038900000000 ]  - [  -0.0061294600000000, -0.0005718800000000, -0.0009900100000000 ]  - [  -0.0057604800000000, -0.0006495800000000, -0.0012265300000000 ]  - [  -0.0058797400000000, -0.0007186400000000, -0.0006560300000000 ]  - [  -0.0060577900000000, -0.0005126900000000, -0.0004932500000000 ]  - [  -0.0058427900000000,  0.0010518900000000,  0.0014259000000000 ]  - [  -0.0057327200000000,  0.0006125800000000, -0.0008028700000000 ]  - [   0.0095702100000000, -0.0117089800000000, -0.0114549600000000 ]  - [  -0.0062214400000000,  0.0007402800000000, -0.0009278600000000 ]  - [  -0.0318272400000000, -0.0017823100000000,  0.0759346000000000 ]  - [  -0.0053787700000000, -0.0032594100000000, -0.0055070700000000 ]  - [  -0.0051777700000000, -0.0031714700000000, -0.0061374600000000 ]  - [  -0.0056054500000000, -0.0032411300000000, -0.0064499700000000 ]  - [  -0.0055242900000000,  0.0029621200000000, -0.0053419300000000 ]  - [  -0.0052476500000000,  0.0031024200000000, -0.0055475900000000 ]  - [  -0.0055245900000000,  0.0032243600000000, -0.0056417300000000 ]  - [  -0.0056138300000000,  0.0033774600000000, -0.0053636400000000 ]  - [   0.0051486900000000, -0.0050752500000000,  0.0053209400000000 ]  - [   0.0079759300000000, -0.0038070600000000,  0.0084106300000000 ]  - [   0.0082064100000000, -0.0036483200000000,  0.0081214200000000 ]  - [   0.0055497900000000, -0.0040173600000000,  0.0069722300000000 ]  - [   0.0079994000000000,  0.0018372700000000,  0.0087932000000000 ]  - [   0.0084195000000000,  0.0040170300000000,  0.0082984500000000 ]  - [   0.0084127400000000,  0.0040064500000000,  0.0065988100000000 ]  - [   0.0077128200000000,  0.0038588800000000,  0.0082277600000000 ]  - [   0.0069204800000000,  0.0058991800000000, -0.0069572000000000 ]  - [   0.0052212600000000,  0.0068392300000000, -0.0020992900000000 ]  - [   0.0065786800000000,  0.0096587400000000, -0.0066552600000000 ]  - [   0.0056075600000000,  0.0070277500000000, -0.0022556900000000 ]  - [   0.0066003300000000, -0.0054636900000000, -0.0016099000000000 ]  - [   0.0068433900000000, -0.0072255800000000, -0.0018524000000000 ]  - [   0.0055068700000000, -0.0067238100000000, -0.0023725700000000 ]  - [   0.0053141300000000, -0.0069199100000000, -0.0023112800000000 ]  - [  -0.0052994500000000, -0.0033452500000000, -0.0054422400000000 ]  - [  -0.0053564800000000, -0.0032779500000000, -0.0054711600000000 ]  - [  -0.0054480000000000, -0.0032414100000000, -0.0056029800000000 ]  - [  -0.0053951000000000, -0.0032464300000000, -0.0055901400000000 ]  - [  -0.0052387000000000,  0.0050749200000000, -0.0110394500000000 ]  - [  -0.0053879900000000,  0.0033397600000000, -0.0054390800000000 ]  - [  -0.0020314100000000, -0.0021892600000000, -0.0100423000000000 ]  - [  -0.0055454600000000,  0.0031370200000000, -0.0054904800000000 ]  - [   0.0078607500000000, -0.0036368100000000,  0.0082561500000000 ]  - [   0.0077403200000000, -0.0039043900000000,  0.0083906900000000 ]  - [   0.0078436500000000, -0.0042774100000000,  0.0080194500000000 ]  - [   0.0078531000000000, -0.0038818300000000,  0.0082018900000000 ]  - [   0.0085938200000000,  0.0016955300000000,  0.0076240700000000 ]  - [   0.0088276200000000,  0.0041885900000000,  0.0085440100000000 ]  - [   0.0077304800000000,  0.0039645500000000,  0.0080855900000000 ]  - [   0.0075570700000000,  0.0039167700000000,  0.0083427400000000 ]  - [   0.0054226000000000,  0.0070293900000000, -0.0022129200000000 ]  - [   0.0056220000000000,  0.0068400900000000, -0.0021330100000000 ]  - [   0.0057216000000000,  0.0066699800000000, -0.0022218200000000 ]  - [   0.0056516800000000,  0.0070634200000000, -0.0021938900000000 ]  - [   0.0056232200000000, -0.0051544900000000, -0.0016911000000000 ]  - [   0.0062415100000000, -0.0070670000000000, -0.0020869700000000 ]  - [   0.0059726100000000, -0.0071786100000000, -0.0037053600000000 ]  - [   0.0054933700000000, -0.0069001300000000, -0.0022787300000000 ]- atom:   41  displacement:    [   0.0099999820909379,  0.0000000000000000, -0.0000189256683174 ]  forces:  - [   0.0121901400000000,  0.0196425900000000, -0.0078884800000000 ]  - [  -0.0049686700000000, -0.0013403000000000, -0.0008491200000000 ]  - [  -0.0021710600000000, -0.0001839300000000,  0.0007158100000000 ]  - [  -0.0018110000000000, -0.0000621400000000, -0.0001071300000000 ]  - [  -0.0016522000000000,  0.0001735500000000,  0.0024419500000000 ]  - [  -0.0023072100000000,  0.0000144500000000, -0.0024147300000000 ]  - [   0.0001833100000000,  0.0014539700000000, -0.0003088500000000 ]  - [  -0.0026399900000000,  0.0000928200000000,  0.0002876600000000 ]  - [   0.0603311600000000, -0.0044646900000000,  0.0277865400000000 ]  - [  -0.0077878100000000,  0.0015149800000000, -0.0003195600000000 ]  - [  -0.0056416800000000, -0.0004985100000000, -0.0004488500000000 ]  - [  -0.0059758300000000, -0.0009266700000000, -0.0017120200000000 ]  - [  -0.0064664000000000,  0.0004645500000000, -0.0005067800000000 ]  - [  -0.0054941800000000,  0.0004800400000000, -0.0014817800000000 ]  - [  -0.0060249600000000,  0.0008495700000000, -0.0010148900000000 ]  - [  -0.0067883200000000, -0.0004863100000000, -0.0008013600000000 ]  - [  -0.0011218600000000, -0.0012524500000000, -0.0001772500000000 ]  - [  -0.0022476700000000,  0.0007254500000000,  0.0005939500000000 ]  - [  -0.0015621600000000, -0.0001305500000000,  0.0004102300000000 ]  - [  -0.0021321500000000,  0.0000149000000000,  0.0002192600000000 ]  - [  -0.0018291300000000, -0.0002620800000000,  0.0004136000000000 ]  - [  -0.0021045100000000,  0.0001013500000000,  0.0001924600000000 ]  - [  -0.0022292100000000, -0.0001293400000000,  0.0000896000000000 ]  - [  -0.0021249100000000, -0.0000449700000000,  0.0000873900000000 ]  - [  -0.0061090700000000, -0.0004276700000000, -0.0007564200000000 ]  - [  -0.0060150600000000, -0.0014408000000000, -0.0011247100000000 ]  - [  -0.0061040900000000, -0.0006597800000000, -0.0008000300000000 ]  - [  -0.0061235100000000, -0.0007933000000000, -0.0008476400000000 ]  - [  -0.0056905100000000,  0.0004928900000000,  0.0005646900000000 ]  - [  -0.0061458900000000,  0.0008928700000000, -0.0008724500000000 ]  - [  -0.0048349000000000, -0.0005893600000000, -0.0013393000000000 ]  - [  -0.0065237900000000,  0.0007703800000000, -0.0009636900000000 ]  - [  -0.0040585400000000, -0.0034232100000000, -0.0022675000000000 ]  - [  -0.0051558200000000, -0.0035020400000000, -0.0056035100000000 ]  - [  -0.0056209100000000, -0.0032034000000000, -0.0059900600000000 ]  - [  -0.0051894700000000, -0.0034384100000000, -0.0030547300000000 ]  - [  -0.0055745800000000,  0.0042362900000000, -0.0057638900000000 ]  - [  -0.0043900200000000,  0.0030686300000000, -0.0058047900000000 ]  - [  -0.0050747500000000,  0.0035903000000000, -0.0060370100000000 ]  - [  -0.0054874300000000,  0.0032367700000000, -0.0054098300000000 ]  - [  -0.0921643100000000, -0.0229456500000000, -0.0129694900000000 ]  - [   0.0088216100000000, -0.0039969700000000,  0.0084436100000000 ]  - [   0.0077617500000000, -0.0040768500000000,  0.0080445500000000 ]  - [   0.0086230200000000, -0.0038378600000000,  0.0089076300000000 ]  - [   0.0075550800000000,  0.0036950300000000,  0.0083254600000000 ]  - [   0.0078948300000000,  0.0039115700000000,  0.0082330500000000 ]  - [   0.0079009000000000,  0.0037667100000000,  0.0079289100000000 ]  - [   0.0075971300000000,  0.0040199100000000,  0.0086048200000000 ]  - [   0.0126408100000000,  0.0060693900000000, -0.0010859900000000 ]  - [   0.0126439700000000,  0.0097933300000000, -0.0015089900000000 ]  - [   0.0052441400000000,  0.0067943200000000, -0.0020799400000000 ]  - [   0.0056348000000000,  0.0070377700000000, -0.0022852200000000 ]  - [   0.0052235200000000, -0.0045329600000000, -0.0038275700000000 ]  - [   0.0060830200000000, -0.0069006500000000, -0.0019725800000000 ]  - [   0.0053890800000000, -0.0075155400000000, -0.0036727500000000 ]  - [   0.0057132200000000, -0.0068406600000000, -0.0018623900000000 ]  - [  -0.0052458200000000, -0.0030388800000000, -0.0054943500000000 ]  - [  -0.0054690900000000, -0.0032314100000000, -0.0054764400000000 ]  - [  -0.0053660900000000, -0.0030948300000000, -0.0055209400000000 ]  - [  -0.0054308400000000, -0.0032457000000000, -0.0055718300000000 ]  - [  -0.0030878900000000,  0.0050314100000000, -0.0055553800000000 ]  - [  -0.0036728300000000,  0.0010898600000000, -0.0060033200000000 ]  - [  -0.0057361400000000,  0.0034466300000000, -0.0055249700000000 ]  - [  -0.0053062600000000,  0.0031306400000000, -0.0051963100000000 ]  - [   0.0078020700000000, -0.0036286400000000,  0.0083237000000000 ]  - [   0.0077798300000000, -0.0041345700000000,  0.0083613500000000 ]  - [   0.0077958100000000, -0.0038866200000000,  0.0082353000000000 ]  - [   0.0077778400000000, -0.0038421300000000,  0.0083072900000000 ]  - [   0.0076130100000000,  0.0040731700000000,  0.0084099600000000 ]  - [   0.0079583100000000,  0.0037711700000000,  0.0082647000000000 ]  - [   0.0076402600000000,  0.0044481900000000,  0.0074297100000000 ]  - [   0.0079569900000000,  0.0038046300000000,  0.0083082300000000 ]  - [   0.0050198800000000,  0.0076463400000000, -0.0019947300000000 ]  - [   0.0062853100000000,  0.0065378800000000, -0.0021267700000000 ]  - [   0.0055311700000000,  0.0068293900000000, -0.0024112800000000 ]  - [   0.0056857700000000,  0.0069687100000000, -0.0021570800000000 ]  - [   0.0055536200000000, -0.0067812400000000, -0.0020855000000000 ]  - [   0.0056572400000000, -0.0069574200000000, -0.0022808400000000 ]  - [   0.0056055700000000, -0.0069101300000000, -0.0023356500000000 ]  - [   0.0055643400000000, -0.0070237700000000, -0.0022647400000000 ]- atom:   41  displacement:    [  -0.0099999820909379,  0.0000000000000000,  0.0000189256683174 ]  forces:  - [  -0.0160218300000000, -0.0192893100000000,  0.0081608900000000 ]  - [   0.0011518100000000,  0.0013100600000000,  0.0012979300000000 ]  - [  -0.0016472800000000,  0.0001360500000000, -0.0002732900000000 ]  - [  -0.0020257700000000,  0.0000097600000000,  0.0005415600000000 ]  - [  -0.0021905800000000, -0.0001320100000000, -0.0020278400000000 ]  - [  -0.0015189900000000,  0.0000403500000000,  0.0028465800000000 ]  - [  -0.0040289500000000, -0.0014134300000000,  0.0007335500000000 ]  - [  -0.0011821000000000, -0.0000495300000000,  0.0001439300000000 ]  - [  -0.0751199700000000,  0.0031790900000000, -0.0308397000000000 ]  - [  -0.0041990000000000, -0.0028090500000000, -0.0012952500000000 ]  - [  -0.0063519400000000, -0.0008080600000000, -0.0011682000000000 ]  - [  -0.0059995600000000, -0.0003843500000000,  0.0000945600000000 ]  - [  -0.0055302700000000,  0.0008376100000000, -0.0011163900000000 ]  - [  -0.0064972300000000,  0.0008314600000000, -0.0001217100000000 ]  - [  -0.0059603600000000,  0.0004564700000000, -0.0005937800000000 ]  - [  -0.0051873500000000,  0.0018060700000000, -0.0008081200000000 ]  - [  -0.0027180100000000,  0.0012164300000000,  0.0006128500000000 ]  - [  -0.0015761400000000, -0.0007708600000000, -0.0001542700000000 ]  - [  -0.0022644200000000,  0.0000861700000000,  0.0000168500000000 ]  - [  -0.0016994300000000, -0.0000497800000000,  0.0002154500000000 ]  - [  -0.0020064900000000,  0.0003173300000000,  0.0000259500000000 ]  - [  -0.0017236000000000, -0.0000589800000000,  0.0002360900000000 ]  - [  -0.0015891400000000,  0.0001690900000000,  0.0003441000000000 ]  - [  -0.0017112000000000,  0.0000984900000000,  0.0003463100000000 ]  - [  -0.0058926100000000, -0.0008814200000000, -0.0008610400000000 ]  - [  -0.0059571500000000,  0.0001439600000000, -0.0004928200000000 ]  - [  -0.0058876000000000, -0.0006497600000000, -0.0008126400000000 ]  - [  -0.0058614300000000, -0.0005064100000000, -0.0007685700000000 ]  - [  -0.0063131700000000,  0.0008097900000000, -0.0021910300000000 ]  - [  -0.0058361600000000,  0.0004104500000000, -0.0007353700000000 ]  - [  -0.0071656700000000,  0.0019023600000000, -0.0002752800000000 ]  - [  -0.0054671300000000,  0.0005364000000000, -0.0006522300000000 ]  - [  -0.0068395500000000, -0.0030691300000000, -0.0087718700000000 ]  - [  -0.0057280200000000, -0.0029994700000000, -0.0053938600000000 ]  - [  -0.0052640200000000, -0.0032715600000000, -0.0049832800000000 ]  - [  -0.0056828000000000, -0.0030358800000000, -0.0079039100000000 ]  - [  -0.0053356700000000,  0.0022288800000000, -0.0052354700000000 ]  - [  -0.0065135400000000,  0.0033943900000000, -0.0051786400000000 ]  - [  -0.0058119900000000,  0.0028981300000000, -0.0049560700000000 ]  - [  -0.0054004100000000,  0.0032484000000000, -0.0055637900000000 ]  - [   0.1106119300000000,  0.0147491600000000,  0.0311446700000000 ]  - [   0.0067546700000000, -0.0037633800000000,  0.0081135700000000 ]  - [   0.0077855900000000, -0.0036962600000000,  0.0085168100000000 ]  - [   0.0069367900000000, -0.0039430700000000,  0.0076622800000000 ]  - [   0.0079884500000000,  0.0040900500000000,  0.0082343800000000 ]  - [   0.0076571100000000,  0.0038738700000000,  0.0083308200000000 ]  - [   0.0076637800000000,  0.0040080500000000,  0.0086395700000000 ]  - [   0.0079921300000000,  0.0037346200000000,  0.0079551200000000 ]  - [  -0.0016316600000000,  0.0078989100000000, -0.0033221500000000 ]  - [  -0.0014019900000000,  0.0041630600000000, -0.0028555300000000 ]  - [   0.0059139100000000,  0.0071094200000000, -0.0023198400000000 ]  - [   0.0055149100000000,  0.0068749900000000, -0.0021128300000000 ]  - [   0.0059037800000000, -0.0094047300000000, -0.0005662100000000 ]  - [   0.0050660500000000, -0.0070017800000000, -0.0024078200000000 ]  - [   0.0057477300000000, -0.0064035000000000, -0.0007276100000000 ]  - [   0.0054103900000000, -0.0070708000000000, -0.0025431200000000 ]  - [  -0.0056417400000000, -0.0034556100000000, -0.0054895400000000 ]  - [  -0.0054051800000000, -0.0032551300000000, -0.0055388100000000 ]  - [  -0.0055231700000000, -0.0033638500000000, -0.0054609400000000 ]  - [  -0.0054551500000000, -0.0032459800000000, -0.0054223100000000 ]  - [  -0.0078590800000000,  0.0014073700000000, -0.0054335800000000 ]  - [  -0.0071736500000000,  0.0053386100000000, -0.0049896000000000 ]  - [  -0.0051397900000000,  0.0030474400000000, -0.0054556800000000 ]  - [  -0.0055785500000000,  0.0033586600000000, -0.0057764700000000 ]  - [   0.0077933900000000, -0.0041502800000000,  0.0082490000000000 ]  - [   0.0077799800000000, -0.0036358900000000,  0.0081940300000000 ]  - [   0.0077710700000000, -0.0038916200000000,  0.0083312200000000 ]  - [   0.0077658900000000, -0.0039416200000000,  0.0082565200000000 ]  - [   0.0079361800000000,  0.0037169600000000,  0.0081458400000000 ]  - [   0.0076004100000000,  0.0039952800000000,  0.0082876700000000 ]  - [   0.0079425500000000,  0.0032970400000000,  0.0091426800000000 ]  - [   0.0075948500000000,  0.0039803800000000,  0.0082522500000000 ]  - [   0.0061273500000000,  0.0062538900000000, -0.0023831200000000 ]  - [   0.0048425300000000,  0.0073876300000000, -0.0022706800000000 ]  - [   0.0056158400000000,  0.0070742600000000, -0.0019879900000000 ]  - [   0.0054602300000000,  0.0069478200000000, -0.0022191000000000 ]  - [   0.0055857100000000, -0.0071269200000000, -0.0023159000000000 ]  - [   0.0054936400000000, -0.0069496300000000, -0.0021022200000000 ]  - [   0.0055425700000000, -0.0070116500000000, -0.0020517000000000 ]  - [   0.0055652600000000, -0.0068839700000000, -0.0021458300000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0211351700000000,  0.0577832900000000, -0.0284582800000000 ]  - [  -0.0011802900000000,  0.0004153500000000,  0.0007842000000000 ]  - [  -0.0023326200000000,  0.0001727600000000, -0.0002413100000000 ]  - [  -0.0018484400000000,  0.0001258800000000,  0.0001034200000000 ]  - [  -0.0018308500000000,  0.0003404800000000, -0.0000486500000000 ]  - [  -0.0019837700000000,  0.0003037400000000,  0.0000598100000000 ]  - [  -0.0006681800000000,  0.0008820700000000,  0.0004224600000000 ]  - [  -0.0019574800000000,  0.0001026800000000,  0.0001327200000000 ]  - [  -0.0132175100000000,  0.0047799600000000, -0.0064181700000000 ]  - [  -0.0061550100000000, -0.0006770700000000, -0.0006386900000000 ]  - [  -0.0054865900000000, -0.0006128700000000, -0.0005556100000000 ]  - [  -0.0063456500000000, -0.0005201300000000, -0.0006757500000000 ]  - [  -0.0059340400000000,  0.0006218000000000, -0.0010525200000000 ]  - [  -0.0059239500000000,  0.0006823600000000, -0.0026629700000000 ]  - [  -0.0059182900000000,  0.0005833400000000, -0.0007918500000000 ]  - [  -0.0065807200000000, -0.0003179100000000, -0.0010625800000000 ]  - [  -0.0004125200000000, -0.0020780700000000, -0.0001396300000000 ]  - [  -0.0024615500000000,  0.0000128600000000,  0.0004168600000000 ]  - [  -0.0019672700000000, -0.0000342000000000,  0.0004477100000000 ]  - [  -0.0019377700000000, -0.0001170300000000,  0.0001785500000000 ]  - [  -0.0016854800000000, -0.0002909100000000, -0.0005061700000000 ]  - [  -0.0022016500000000, -0.0000357600000000,  0.0003416300000000 ]  - [  -0.0017627800000000, -0.0009698600000000,  0.0005440300000000 ]  - [  -0.0020628400000000, -0.0001045800000000,  0.0000697400000000 ]  - [  -0.0060957900000000, -0.0010179900000000, -0.0007725300000000 ]  - [  -0.0079835200000000, -0.0024691300000000,  0.0002702200000000 ]  - [  -0.0060799100000000, -0.0006938600000000, -0.0008399300000000 ]  - [  -0.0060915100000000, -0.0012464300000000, -0.0008961100000000 ]  - [  -0.0060067800000000,  0.0006004600000000,  0.0013003000000000 ]  - [  -0.0061810800000000,  0.0005779000000000, -0.0011209100000000 ]  - [  -0.0059154700000000,  0.0002097200000000, -0.0014327300000000 ]  - [  -0.0062325800000000,  0.0007810300000000, -0.0007830800000000 ]  - [  -0.0050667800000000, -0.0045048400000000, -0.0041025100000000 ]  - [  -0.0053855500000000, -0.0033268400000000, -0.0055540100000000 ]  - [  -0.0055384700000000, -0.0034112000000000, -0.0057737800000000 ]  - [  -0.0050801900000000, -0.0034074100000000, -0.0052322800000000 ]  - [  -0.0022945100000000,  0.0104191000000000, -0.0066005400000000 ]  - [  -0.0057479800000000,  0.0035407600000000, -0.0054550700000000 ]  - [  -0.0051655200000000,  0.0036280500000000, -0.0052771100000000 ]  - [  -0.0054722500000000,  0.0032707500000000, -0.0055232400000000 ]  - [  -0.0117333600000000, -0.0819433400000000,  0.0425493900000000 ]  - [   0.0076641600000000, -0.0038446700000000,  0.0082431000000000 ]  - [   0.0075922600000000, -0.0042395100000000,  0.0081506900000000 ]  - [   0.0078437900000000, -0.0039907100000000,  0.0081557000000000 ]  - [   0.0076322500000000,  0.0037702000000000,  0.0083079000000000 ]  - [   0.0079061800000000,  0.0038549400000000,  0.0083566700000000 ]  - [   0.0077711800000000,  0.0038537800000000,  0.0084085700000000 ]  - [   0.0079956600000000,  0.0037661100000000,  0.0085296600000000 ]  - [   0.0025849300000000,  0.0068601700000000, -0.0025374300000000 ]  - [   0.0056429400000000,  0.0069794600000000, -0.0024964700000000 ]  - [   0.0053408100000000,  0.0068456000000000, -0.0021784800000000 ]  - [   0.0057348100000000,  0.0068635900000000, -0.0021034100000000 ]  - [   0.0066908400000000, -0.0045650700000000, -0.0037392600000000 ]  - [   0.0054826900000000, -0.0068483200000000, -0.0021821900000000 ]  - [   0.0050067100000000, -0.0064081300000000,  0.0003096000000000 ]  - [   0.0055625500000000, -0.0069796400000000, -0.0021297200000000 ]  - [  -0.0052048100000000, -0.0027151900000000, -0.0056781100000000 ]  - [  -0.0054493300000000, -0.0030925900000000, -0.0054766200000000 ]  - [  -0.0054485000000000, -0.0030675900000000, -0.0050851600000000 ]  - [  -0.0054246600000000, -0.0031524900000000, -0.0054978200000000 ]  - [  -0.0007376500000000,  0.0069951900000000, -0.0062268100000000 ]  - [  -0.0062111600000000,  0.0035476800000000, -0.0054314600000000 ]  - [  -0.0055208600000000,  0.0032438100000000, -0.0054315000000000 ]  - [  -0.0053401600000000,  0.0032346900000000, -0.0054254200000000 ]  - [   0.0075410400000000, -0.0035331300000000,  0.0081780700000000 ]  - [   0.0080519700000000, -0.0035240700000000,  0.0080890500000000 ]  - [   0.0078395400000000, -0.0038003800000000,  0.0082787400000000 ]  - [   0.0077852400000000, -0.0038009300000000,  0.0082829500000000 ]  - [   0.0072030300000000,  0.0050410800000000,  0.0083699700000000 ]  - [   0.0078763600000000,  0.0038767400000000,  0.0082251400000000 ]  - [   0.0076111500000000,  0.0050296000000000,  0.0071106900000000 ]  - [   0.0078957600000000,  0.0038795900000000,  0.0083140700000000 ]  - [   0.0046350200000000,  0.0099326500000000, -0.0016251600000000 ]  - [   0.0059253200000000,  0.0070104000000000, -0.0020673500000000 ]  - [   0.0053789400000000,  0.0074874600000000, -0.0018250700000000 ]  - [   0.0056023300000000,  0.0069778800000000, -0.0021439000000000 ]  - [   0.0055523100000000, -0.0068009100000000, -0.0020323400000000 ]  - [   0.0055444500000000, -0.0068791900000000, -0.0023495800000000 ]  - [   0.0056871700000000, -0.0069490600000000, -0.0025180300000000 ]  - [   0.0055471100000000, -0.0069139500000000, -0.0021343300000000 ]- atom:   41  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0238114800000000, -0.0561074300000000,  0.0277416000000000 ]  - [  -0.0026687300000000, -0.0004688800000000, -0.0003560600000000 ]  - [  -0.0015024800000000, -0.0002236900000000,  0.0006792600000000 ]  - [  -0.0019891900000000, -0.0001748300000000,  0.0003273200000000 ]  - [  -0.0020102900000000, -0.0002906600000000,  0.0004898400000000 ]  - [  -0.0018554500000000, -0.0002558000000000,  0.0003750000000000 ]  - [  -0.0031586000000000, -0.0008197800000000,  0.0000033200000000 ]  - [  -0.0018790800000000, -0.0000545300000000,  0.0002963100000000 ]  - [   0.0015048800000000, -0.0061673000000000,  0.0049061200000000 ]  - [  -0.0058436500000000, -0.0006268700000000, -0.0009816800000000 ]  - [  -0.0065049400000000, -0.0006913100000000, -0.0010606100000000 ]  - [  -0.0056483900000000, -0.0007842500000000, -0.0009513600000000 ]  - [  -0.0060658100000000,  0.0006810700000000, -0.0005651800000000 ]  - [  -0.0060721100000000,  0.0006334600000000,  0.0010243100000000 ]  - [  -0.0060729600000000,  0.0007210400000000, -0.0008261000000000 ]  - [  -0.0054152400000000,  0.0016194600000000, -0.0005555800000000 ]  - [  -0.0034232800000000,  0.0020349600000000,  0.0005690000000000 ]  - [  -0.0013767400000000, -0.0000696000000000,  0.0000118700000000 ]  - [  -0.0018608600000000, -0.0000135900000000, -0.0000174600000000 ]  - [  -0.0019008200000000,  0.0000698900000000,  0.0002523900000000 ]  - [  -0.0021552800000000,  0.0003352200000000,  0.0009432600000000 ]  - [  -0.0016325400000000,  0.0000842200000000,  0.0000871600000000 ]  - [  -0.0020724600000000,  0.0010157900000000, -0.0001194500000000 ]  - [  -0.0017735900000000,  0.0001550600000000,  0.0003607300000000 ]  - [  -0.0059080200000000, -0.0002825600000000, -0.0008505200000000 ]  - [  -0.0040388700000000,  0.0011466900000000, -0.0018688300000000 ]  - [  -0.0059164300000000, -0.0006115800000000, -0.0007775100000000 ]  - [  -0.0059039900000000, -0.0000532000000000, -0.0007245300000000 ]  - [  -0.0059950400000000,  0.0006991300000000, -0.0029195900000000 ]  - [  -0.0058168200000000,  0.0007285500000000, -0.0004939100000000 ]  - [  -0.0060727200000000,  0.0010838500000000, -0.0001870600000000 ]  - [  -0.0057629500000000,  0.0005214700000000, -0.0008357700000000 ]  - [  -0.0057858800000000, -0.0019763200000000, -0.0068618700000000 ]  - [  -0.0054832800000000, -0.0031602600000000, -0.0054353500000000 ]  - [  -0.0053336300000000, -0.0030652400000000, -0.0052100700000000 ]  - [  -0.0057872300000000, -0.0030710000000000, -0.0057538800000000 ]  - [  -0.0085537100000000, -0.0038069400000000, -0.0044002600000000 ]  - [  -0.0051256200000000,  0.0029299800000000, -0.0055328500000000 ]  - [  -0.0057007500000000,  0.0028571300000000, -0.0057162600000000 ]  - [  -0.0053978300000000,  0.0032076900000000, -0.0054609400000000 ]  - [   0.0258427900000000,  0.0724652300000000, -0.0249744700000000 ]  - [   0.0079079000000000, -0.0039166600000000,  0.0083174800000000 ]  - [   0.0079695300000000, -0.0035263700000000,  0.0084077200000000 ]  - [   0.0077316000000000, -0.0037726700000000,  0.0084076700000000 ]  - [   0.0079304300000000,  0.0039919700000000,  0.0082526000000000 ]  - [   0.0076608900000000,  0.0039099400000000,  0.0082053100000000 ]  - [   0.0078017400000000,  0.0039086300000000,  0.0081529800000000 ]  - [   0.0075850300000000,  0.0039886400000000,  0.0080320500000000 ]  - [   0.0085535900000000,  0.0070276800000000, -0.0018444700000000 ]  - [   0.0055139300000000,  0.0069339800000000, -0.0018769800000000 ]  - [   0.0057922100000000,  0.0070402100000000, -0.0022093700000000 ]  - [   0.0054003400000000,  0.0070279700000000, -0.0022835000000000 ]  - [   0.0044542500000000, -0.0093140000000000, -0.0006822800000000 ]  - [   0.0056544100000000, -0.0070402100000000, -0.0021977800000000 ]  - [   0.0061123900000000, -0.0074870500000000, -0.0046787500000000 ]  - [   0.0055610300000000, -0.0069118700000000, -0.0022566800000000 ]  - [  -0.0056606200000000, -0.0037685100000000, -0.0053101200000000 ]  - [  -0.0054194900000000, -0.0033910400000000, -0.0055195600000000 ]  - [  -0.0054170100000000, -0.0034044800000000, -0.0058988500000000 ]  - [  -0.0054461900000000, -0.0033289300000000, -0.0054933500000000 ]  - [  -0.0101677400000000, -0.0005321600000000, -0.0047577900000000 ]  - [  -0.0046488000000000,  0.0029315100000000, -0.0055511200000000 ]  - [  -0.0053473800000000,  0.0032440200000000, -0.0055529600000000 ]  - [  -0.0055299400000000,  0.0032506800000000, -0.0055580300000000 ]  - [   0.0080384500000000, -0.0042346900000000,  0.0083882300000000 ]  - [   0.0075226700000000, -0.0042280400000000,  0.0084675800000000 ]  - [   0.0077300600000000, -0.0039652100000000,  0.0082835400000000 ]  - [   0.0077771400000000, -0.0039660500000000,  0.0082779200000000 ]  - [   0.0083629400000000,  0.0027196100000000,  0.0081862300000000 ]  - [   0.0076909100000000,  0.0038847400000000,  0.0083336300000000 ]  - [   0.0079585300000000,  0.0027104500000000,  0.0094712100000000 ]  - [   0.0076710000000000,  0.0038839100000000,  0.0082442300000000 ]  - [   0.0065012900000000,  0.0039348600000000, -0.0027586300000000 ]  - [   0.0052010700000000,  0.0068881200000000, -0.0023153700000000 ]  - [   0.0057567200000000,  0.0063970700000000, -0.0025686200000000 ]  - [   0.0055333800000000,  0.0069149700000000, -0.0022377900000000 ]  - [   0.0055807100000000, -0.0070864500000000, -0.0023541200000000 ]  - [   0.0055922600000000, -0.0070084700000000, -0.0020270900000000 ]  - [   0.0054418500000000, -0.0069454200000000, -0.0018661800000000 ]  - [   0.0055779700000000, -0.0069749600000000, -0.0022593100000000 ]- atom:   41  displacement:    [  -0.0031877315310266,  0.0000000000000000,  0.0094783103813970 ]  forces:  - [  -0.0158736700000000, -0.0332393800000000,  0.0190316000000000 ]  - [  -0.0008103600000000,  0.0004348800000000,  0.0007660000000000 ]  - [  -0.0021243700000000,  0.0007904400000000, -0.0014933800000000 ]  - [  -0.0020917600000000,  0.0001399400000000,  0.0001149000000000 ]  - [  -0.0014421000000000, -0.0002332600000000, -0.0006213100000000 ]  - [  -0.0018339600000000,  0.0005269700000000,  0.0000334500000000 ]  - [  -0.0029350500000000,  0.0008796800000000, -0.0005892700000000 ]  - [  -0.0015650100000000, -0.0002132300000000, -0.0000923100000000 ]  - [   0.0016766800000000, -0.0035129400000000,  0.0058421600000000 ]  - [  -0.0058352900000000, -0.0008929000000000, -0.0004486700000000 ]  - [  -0.0058639800000000, -0.0007259200000000, -0.0011873000000000 ]  - [  -0.0063063800000000, -0.0004803700000000, -0.0002052200000000 ]  - [  -0.0058681500000000,  0.0007836700000000, -0.0010895900000000 ]  - [  -0.0061001700000000,  0.0001116500000000, -0.0008583200000000 ]  - [  -0.0062764400000000,  0.0005465300000000, -0.0008540200000000 ]  - [  -0.0046484800000000,  0.0032729100000000, -0.0010886600000000 ]  - [  -0.0022894200000000,  0.0008658900000000,  0.0009769800000000 ]  - [  -0.0017923400000000,  0.0001406100000000,  0.0007365500000000 ]  - [  -0.0020920300000000, -0.0002006000000000,  0.0000055300000000 ]  - [  -0.0018443000000000, -0.0000629900000000,  0.0001402000000000 ]  - [  -0.0016945400000000, -0.0003080400000000, -0.0003926000000000 ]  - [  -0.0019492500000000,  0.0000198000000000, -0.0000531100000000 ]  - [  -0.0013528400000000, -0.0004124700000000,  0.0004528400000000 ]  - [  -0.0019105900000000,  0.0000154500000000,  0.0002055600000000 ]  - [  -0.0059280200000000, -0.0006661800000000, -0.0004091300000000 ]  - [  -0.0065437200000000, -0.0003373500000000, -0.0001445800000000 ]  - [  -0.0059587600000000, -0.0006312700000000, -0.0009309600000000 ]  - [  -0.0057110000000000, -0.0007825800000000, -0.0007222100000000 ]  - [  -0.0066479600000000,  0.0008554300000000, -0.0022607000000000 ]  - [  -0.0057499500000000,  0.0003010400000000, -0.0012781500000000 ]  - [  -0.0057971200000000, -0.0003334000000000, -0.0012599500000000 ]  - [  -0.0059265500000000,  0.0006914000000000, -0.0008030700000000 ]  - [  -0.0030568000000000, -0.0030006400000000, -0.0026167800000000 ]  - [  -0.0053871400000000, -0.0031959500000000, -0.0055421300000000 ]  - [  -0.0054283500000000, -0.0033079100000000, -0.0051775100000000 ]  - [  -0.0046474100000000, -0.0032517300000000, -0.0046785700000000 ]  - [  -0.0055119600000000,  0.0035234600000000, -0.0059676900000000 ]  - [  -0.0058797600000000,  0.0034310000000000, -0.0054399300000000 ]  - [  -0.0060829200000000,  0.0030255400000000, -0.0038059400000000 ]  - [  -0.0054181300000000,  0.0032169800000000, -0.0054592200000000 ]  - [   0.0188864200000000,  0.0337098000000000, -0.0265969800000000 ]  - [   0.0076195900000000, -0.0038819600000000,  0.0081212700000000 ]  - [   0.0075511700000000, -0.0039598900000000,  0.0089077500000000 ]  - [   0.0081055500000000, -0.0040267700000000,  0.0081968200000000 ]  - [   0.0081557200000000,  0.0037203200000000,  0.0084017700000000 ]  - [   0.0074033500000000,  0.0037685400000000,  0.0083361400000000 ]  - [   0.0076990200000000,  0.0038582100000000,  0.0084363800000000 ]  - [   0.0079069100000000,  0.0038077100000000,  0.0083134000000000 ]  - [   0.0030334900000000,  0.0077014800000000, -0.0031089500000000 ]  - [   0.0059736500000000,  0.0068318100000000, -0.0023977500000000 ]  - [   0.0057778600000000,  0.0069897300000000, -0.0019727000000000 ]  - [   0.0057298200000000,  0.0068499900000000, -0.0018855300000000 ]  - [   0.0034175300000000, -0.0123219500000000,  0.0009296000000000 ]  - [   0.0053555800000000, -0.0068034700000000, -0.0022400100000000 ]  - [   0.0053201500000000, -0.0062213700000000,  0.0017045200000000 ]  - [   0.0055206200000000, -0.0071447900000000, -0.0021293300000000 ]  - [  -0.0055718800000000, -0.0033006100000000, -0.0054882700000000 ]  - [  -0.0053509000000000, -0.0032914100000000, -0.0056092900000000 ]  - [  -0.0056263800000000, -0.0031611000000000, -0.0052686900000000 ]  - [  -0.0054636800000000, -0.0032096700000000, -0.0054036400000000 ]  - [  -0.0080710700000000,  0.0008563600000000, -0.0054434200000000 ]  - [  -0.0063008900000000,  0.0035298100000000, -0.0057031800000000 ]  - [  -0.0055051200000000,  0.0033404900000000, -0.0053404700000000 ]  - [  -0.0054272100000000,  0.0033078700000000, -0.0056270900000000 ]  - [   0.0078779200000000, -0.0041530800000000,  0.0081373700000000 ]  - [   0.0078203100000000, -0.0039010400000000,  0.0081122400000000 ]  - [   0.0078058200000000, -0.0038893300000000,  0.0082877100000000 ]  - [   0.0077242700000000, -0.0039160100000000,  0.0082629700000000 ]  - [   0.0070236500000000,  0.0049459300000000,  0.0088544300000000 ]  - [   0.0077598900000000,  0.0038864800000000,  0.0083792700000000 ]  - [   0.0079730400000000,  0.0036164500000000,  0.0091882100000000 ]  - [   0.0077170600000000,  0.0039732800000000,  0.0083718000000000 ]  - [   0.0060988400000000,  0.0069171500000000, -0.0023528100000000 ]  - [   0.0054593400000000,  0.0069587700000000, -0.0023035000000000 ]  - [   0.0053920300000000,  0.0074104200000000, -0.0018965400000000 ]  - [   0.0055311500000000,  0.0069561200000000, -0.0021679600000000 ]  - [   0.0056062000000000, -0.0067933100000000, -0.0023897700000000 ]  - [   0.0053514300000000, -0.0068673700000000, -0.0023721300000000 ]  - [   0.0057187400000000, -0.0069576300000000, -0.0019529800000000 ]  - [   0.0055003300000000, -0.0069201900000000, -0.0021260900000000 ]- atom:   41  displacement:    [   0.0031877315310266,  0.0000000000000000, -0.0094783103813970 ]  forces:  - [   0.0122677100000000,  0.0339032400000000, -0.0185435100000000 ]  - [  -0.0030337300000000, -0.0004985700000000, -0.0003399800000000 ]  - [  -0.0017173100000000, -0.0008215900000000,  0.0019287000000000 ]  - [  -0.0017478400000000, -0.0001960900000000,  0.0003235000000000 ]  - [  -0.0023886800000000,  0.0002727900000000,  0.0010600400000000 ]  - [  -0.0019970700000000, -0.0004581800000000,  0.0003951100000000 ]  - [  -0.0008881800000000, -0.0008128000000000,  0.0010271300000000 ]  - [  -0.0022629100000000,  0.0002641300000000,  0.0005255200000000 ]  - [  -0.0133922600000000,  0.0021888900000000, -0.0072373300000000 ]  - [  -0.0061472200000000, -0.0004132000000000, -0.0011594200000000 ]  - [  -0.0061064200000000, -0.0005790600000000, -0.0004145900000000 ]  - [  -0.0056653900000000, -0.0008203800000000, -0.0013830300000000 ]  - [  -0.0061184000000000,  0.0005197100000000, -0.0005240200000000 ]  - [  -0.0058796200000000,  0.0012046000000000, -0.0007579100000000 ]  - [  -0.0056766500000000,  0.0007614500000000, -0.0007417600000000 ]  - [  -0.0073413000000000, -0.0019820400000000, -0.0005308900000000 ]  - [  -0.0015402200000000, -0.0009131900000000, -0.0005430500000000 ]  - [  -0.0020407000000000, -0.0001897700000000, -0.0003034500000000 ]  - [  -0.0017334300000000,  0.0001501500000000,  0.0004311900000000 ]  - [  -0.0019892200000000,  0.0000181900000000,  0.0002992400000000 ]  - [  -0.0021309400000000,  0.0003548400000000,  0.0008172000000000 ]  - [  -0.0018842000000000,  0.0000284300000000,  0.0004812600000000 ]  - [  -0.0024768700000000,  0.0004568800000000, -0.0000162100000000 ]  - [  -0.0019275900000000,  0.0000494800000000,  0.0002323200000000 ]  - [  -0.0060585800000000, -0.0006388300000000, -0.0012062100000000 ]  - [  -0.0054309400000000, -0.0009713400000000, -0.0014659700000000 ]  - [  -0.0060192300000000, -0.0006809200000000, -0.0006712300000000 ]  - [  -0.0062746900000000, -0.0005298000000000, -0.0008808500000000 ]  - [  -0.0053667900000000,  0.0004462400000000,  0.0006331500000000 ]  - [  -0.0062207200000000,  0.0010019500000000, -0.0003360700000000 ]  - [  -0.0061791400000000,  0.0016411500000000, -0.0003455400000000 ]  - [  -0.0060401600000000,  0.0006148900000000, -0.0007941800000000 ]  - [  -0.0078555000000000, -0.0035172800000000, -0.0083699200000000 ]  - [  -0.0055086000000000, -0.0033166100000000, -0.0054513600000000 ]  - [  -0.0054746000000000, -0.0031700500000000, -0.0057877400000000 ]  - [  -0.0062095800000000, -0.0032200800000000, -0.0063080100000000 ]  - [  -0.0053851600000000,  0.0029732400000000, -0.0050405400000000 ]  - [  -0.0050176000000000,  0.0030154200000000, -0.0055393100000000 ]  - [  -0.0048019100000000,  0.0034972700000000, -0.0071657500000000 ]  - [  -0.0054812000000000,  0.0032735100000000, -0.0055165600000000 ]  - [  -0.0038641400000000, -0.0422710100000000,  0.0429261900000000 ]  - [   0.0079567400000000, -0.0038732200000000,  0.0084296000000000 ]  - [   0.0079681400000000, -0.0038376700000000,  0.0076497200000000 ]  - [   0.0074278400000000, -0.0037670600000000,  0.0083540600000000 ]  - [   0.0073694000000000,  0.0040757400000000,  0.0081560200000000 ]  - [   0.0081344000000000,  0.0040304400000000,  0.0082239900000000 ]  - [   0.0078453100000000,  0.0039281900000000,  0.0081265000000000 ]  - [   0.0077010600000000,  0.0039371100000000,  0.0082434100000000 ]  - [   0.0081181400000000,  0.0062132800000000, -0.0013090400000000 ]  - [   0.0052111700000000,  0.0071103100000000, -0.0019745900000000 ]  - [   0.0053892500000000,  0.0069205500000000, -0.0024438700000000 ]  - [   0.0054438100000000,  0.0070679500000000, -0.0025210200000000 ]  - [   0.0077790300000000, -0.0015396200000000, -0.0053961200000000 ]  - [   0.0058110900000000, -0.0071126000000000, -0.0021299900000000 ]  - [   0.0058091300000000, -0.0076958500000000, -0.0060302600000000 ]  - [   0.0055989400000000, -0.0067750900000000, -0.0022907000000000 ]  - [  -0.0053170500000000, -0.0032061100000000, -0.0054842200000000 ]  - [  -0.0055378500000000, -0.0032031100000000, -0.0054072500000000 ]  - [  -0.0052664500000000, -0.0032772400000000, -0.0057104100000000 ]  - [  -0.0054324400000000, -0.0032941400000000, -0.0055935100000000 ]  - [  -0.0028371400000000,  0.0056345500000000, -0.0055661300000000 ]  - [  -0.0045831600000000,  0.0029327700000000, -0.0052772500000000 ]  - [  -0.0053787500000000,  0.0031674600000000, -0.0056410600000000 ]  - [  -0.0054683900000000,  0.0031989900000000, -0.0053510000000000 ]  - [   0.0077048200000000, -0.0036408800000000,  0.0084383600000000 ]  - [   0.0077352600000000, -0.0038611800000000,  0.0084349000000000 ]  - [   0.0077498500000000, -0.0038945300000000,  0.0082725500000000 ]  - [   0.0077991400000000, -0.0038791500000000,  0.0082990800000000 ]  - [   0.0085181500000000,  0.0028355300000000,  0.0076835600000000 ]  - [   0.0077788700000000,  0.0038945500000000,  0.0081684500000000 ]  - [   0.0076220600000000,  0.0041399000000000,  0.0073812300000000 ]  - [   0.0078176200000000,  0.0038280700000000,  0.0081882500000000 ]  - [   0.0050640800000000,  0.0070085500000000, -0.0020136000000000 ]  - [   0.0056533800000000,  0.0069882100000000, -0.0021042200000000 ]  - [   0.0057667000000000,  0.0064974600000000, -0.0025271000000000 ]  - [   0.0056298700000000,  0.0069750200000000, -0.0022162100000000 ]  - [   0.0055448500000000, -0.0071278400000000, -0.0020228400000000 ]  - [   0.0058182400000000, -0.0070517600000000, -0.0020028900000000 ]  - [   0.0054395500000000, -0.0069878200000000, -0.0024382800000000 ]  - [   0.0056223200000000, -0.0069954100000000, -0.0023043000000000 ]- atom:   49  displacement:    [   0.0099999820909379,  0.0000000000000000, -0.0000189256683174 ]  forces:  - [  -0.0034404700000000, -0.0025835500000000,  0.0011704200000000 ]  - [   0.0421813000000000,  0.0074678300000000,  0.0082339100000000 ]  - [  -0.0010535800000000, -0.0001114700000000, -0.0022556300000000 ]  - [  -0.0018237500000000, -0.0001689900000000,  0.0004440600000000 ]  - [   0.0056271100000000, -0.0017816200000000, -0.0049425200000000 ]  - [  -0.0024606600000000,  0.0000718400000000,  0.0002967500000000 ]  - [  -0.0016760200000000, -0.0010287100000000,  0.0003139000000000 ]  - [  -0.0025874000000000,  0.0003099500000000, -0.0004655200000000 ]  - [   0.0054820000000000, -0.0153026200000000, -0.0027426600000000 ]  - [  -0.0090015800000000,  0.0005808900000000, -0.0025265500000000 ]  - [  -0.0056173200000000, -0.0004840100000000, -0.0002449000000000 ]  - [  -0.0061471600000000, -0.0004355100000000, -0.0010888500000000 ]  - [  -0.0063986000000000,  0.0007448100000000,  0.0003433600000000 ]  - [  -0.0068112700000000, -0.0005658100000000, -0.0003808900000000 ]  - [  -0.0059094400000000,  0.0009234600000000, -0.0009106600000000 ]  - [  -0.0064449900000000,  0.0005006200000000, -0.0010210300000000 ]  - [  -0.0018426000000000,  0.0006313200000000, -0.0000059600000000 ]  - [  -0.0018647100000000, -0.0001216500000000,  0.0002206600000000 ]  - [  -0.0017710900000000,  0.0002102700000000,  0.0002534700000000 ]  - [  -0.0020732800000000, -0.0000360600000000,  0.0002248500000000 ]  - [  -0.0022171900000000,  0.0001072400000000,  0.0002731900000000 ]  - [  -0.0017368100000000,  0.0000315300000000,  0.0003294000000000 ]  - [  -0.0022001000000000,  0.0000950800000000,  0.0001779400000000 ]  - [  -0.0016616000000000,  0.0001605200000000,  0.0002269300000000 ]  - [  -0.0054167500000000,  0.0003764600000000, -0.0012766500000000 ]  - [  -0.0064509400000000, -0.0014241700000000, -0.0005922600000000 ]  - [  -0.0059195800000000, -0.0006118800000000, -0.0006668100000000 ]  - [  -0.0061994100000000, -0.0007493000000000, -0.0008976900000000 ]  - [  -0.0054923600000000,  0.0007316300000000, -0.0012239300000000 ]  - [  -0.0063679300000000,  0.0008083500000000, -0.0004151900000000 ]  - [  -0.0062808500000000,  0.0014720500000000, -0.0006115200000000 ]  - [  -0.0060327700000000,  0.0004146800000000, -0.0010302200000000 ]  - [  -0.0048751500000000, -0.0043861000000000, -0.0067594400000000 ]  - [  -0.0052778300000000, -0.0032691400000000, -0.0050810700000000 ]  - [  -0.0060014700000000, -0.0027229400000000, -0.0067623400000000 ]  - [  -0.0055008800000000, -0.0033311600000000, -0.0055606700000000 ]  - [  -0.0030449600000000,  0.0058386200000000, -0.0060545900000000 ]  - [  -0.0025493800000000,  0.0013014800000000, -0.0055923900000000 ]  - [  -0.0052257900000000,  0.0034418500000000, -0.0051601200000000 ]  - [  -0.0055254800000000,  0.0031867800000000, -0.0054595500000000 ]  - [   0.0149654800000000, -0.0068962700000000,  0.0080112300000000 ]  - [   0.0147616600000000, -0.0038345100000000,  0.0110458900000000 ]  - [   0.0074344600000000, -0.0041147000000000,  0.0083814600000000 ]  - [   0.0078341200000000, -0.0037195600000000,  0.0084575800000000 ]  - [   0.0076076100000000,  0.0044461300000000,  0.0079482600000000 ]  - [   0.0079327700000000,  0.0038864600000000,  0.0082889100000000 ]  - [   0.0074493100000000,  0.0027634500000000,  0.0058648900000000 ]  - [   0.0082934200000000,  0.0039635200000000,  0.0082146400000000 ]  - [  -0.0780239000000000,  0.0207547400000000, -0.0057345200000000 ]  - [   0.0063491000000000,  0.0069807500000000, -0.0020512900000000 ]  - [   0.0054520100000000,  0.0070823500000000, -0.0022439000000000 ]  - [   0.0060575900000000,  0.0068741800000000, -0.0010561700000000 ]  - [   0.0057343900000000, -0.0065017600000000, -0.0024663600000000 ]  - [   0.0073852700000000, -0.0073636500000000, -0.0011790000000000 ]  - [   0.0074016700000000, -0.0064259900000000,  0.0038843900000000 ]  - [   0.0057275900000000, -0.0067691300000000, -0.0022746900000000 ]  - [  -0.0051922900000000, -0.0031606500000000, -0.0054748800000000 ]  - [  -0.0055930300000000, -0.0034262200000000, -0.0054002200000000 ]  - [  -0.0051864000000000, -0.0030420100000000, -0.0054932900000000 ]  - [  -0.0055279900000000, -0.0032867100000000, -0.0056840100000000 ]  - [  -0.0054826000000000,  0.0025927300000000, -0.0055655500000000 ]  - [  -0.0043326200000000,  0.0035596700000000, -0.0058278800000000 ]  - [  -0.0053285500000000,  0.0030231100000000, -0.0058874500000000 ]  - [  -0.0054452200000000,  0.0032232100000000, -0.0054192200000000 ]  - [   0.0072333700000000, -0.0048182000000000,  0.0086472500000000 ]  - [   0.0085100300000000, -0.0035160600000000,  0.0084211600000000 ]  - [   0.0077378800000000, -0.0040769400000000,  0.0080713500000000 ]  - [   0.0078863400000000, -0.0038529000000000,  0.0082693900000000 ]  - [   0.0078069600000000,  0.0037653300000000,  0.0084453200000000 ]  - [   0.0077821200000000,  0.0038953100000000,  0.0082100500000000 ]  - [   0.0077688800000000,  0.0038939000000000,  0.0083161800000000 ]  - [   0.0078529600000000,  0.0039098700000000,  0.0080714800000000 ]  - [   0.0056788400000000,  0.0072338800000000, -0.0021889100000000 ]  - [   0.0056750900000000,  0.0066931300000000, -0.0021814300000000 ]  - [   0.0055912100000000,  0.0069383600000000, -0.0022989300000000 ]  - [   0.0055921100000000,  0.0069460100000000, -0.0021521900000000 ]  - [   0.0054340400000000, -0.0071117100000000, -0.0022108400000000 ]  - [   0.0056782900000000, -0.0069205700000000, -0.0021433900000000 ]  - [   0.0054381500000000, -0.0069254000000000, -0.0021605200000000 ]  - [   0.0056706500000000, -0.0069557200000000, -0.0022340100000000 ]- atom:   49  displacement:    [  -0.0099999820909379,  0.0000000000000000,  0.0000189256683174 ]  forces:  - [  -0.0003841800000000,  0.0025044900000000, -0.0007323300000000 ]  - [  -0.0480291800000000, -0.0077003600000000, -0.0084599100000000 ]  - [  -0.0027750500000000,  0.0000563500000000,  0.0026907500000000 ]  - [  -0.0020194000000000,  0.0001037700000000, -0.0000074600000000 ]  - [  -0.0094614800000000,  0.0018802600000000,  0.0052559500000000 ]  - [  -0.0013794700000000, -0.0000062800000000,  0.0001382900000000 ]  - [  -0.0021666300000000,  0.0010999200000000,  0.0001298200000000 ]  - [  -0.0012430900000000, -0.0002577800000000,  0.0009066100000000 ]  - [  -0.0173818600000000,  0.0136040000000000,  0.0009914500000000 ]  - [  -0.0029639200000000, -0.0019016800000000,  0.0009314500000000 ]  - [  -0.0063597300000000, -0.0008155200000000, -0.0013517700000000 ]  - [  -0.0058293300000000, -0.0008700700000000, -0.0005201900000000 ]  - [  -0.0055994600000000,  0.0005602200000000, -0.0019670600000000 ]  - [  -0.0051542900000000,  0.0018747600000000, -0.0012238900000000 ]  - [  -0.0060487300000000,  0.0003758400000000, -0.0006829300000000 ]  - [  -0.0055404300000000,  0.0008064500000000, -0.0005849400000000 ]  - [  -0.0019863200000000, -0.0007033300000000,  0.0004445100000000 ]  - [  -0.0019709600000000,  0.0000639100000000,  0.0002204100000000 ]  - [  -0.0020566900000000, -0.0002609700000000,  0.0001805600000000 ]  - [  -0.0017694000000000, -0.0000222800000000,  0.0002098700000000 ]  - [  -0.0016210700000000, -0.0000467200000000,  0.0001617000000000 ]  - [  -0.0020972200000000,  0.0000286800000000,  0.0000980200000000 ]  - [  -0.0016298000000000, -0.0000395200000000,  0.0002600200000000 ]  - [  -0.0021848400000000, -0.0000922300000000,  0.0002139700000000 ]  - [  -0.0065671700000000, -0.0016848700000000, -0.0003377600000000 ]  - [  -0.0055208800000000,  0.0001141000000000, -0.0010102200000000 ]  - [  -0.0060618300000000, -0.0006948100000000, -0.0009441000000000 ]  - [  -0.0057855400000000, -0.0005553900000000, -0.0007152800000000 ]  - [  -0.0064857200000000,  0.0005588000000000, -0.0003901200000000 ]  - [  -0.0056161700000000,  0.0004961200000000, -0.0012046400000000 ]  - [  -0.0056928200000000, -0.0001626600000000, -0.0009896500000000 ]  - [  -0.0059394200000000,  0.0008865300000000, -0.0005742000000000 ]  - [  -0.0060208700000000, -0.0021106600000000, -0.0042327400000000 ]  - [  -0.0056129800000000, -0.0032229600000000, -0.0059143300000000 ]  - [  -0.0048877700000000, -0.0037343600000000, -0.0042500200000000 ]  - [  -0.0053825600000000, -0.0031347900000000, -0.0054333400000000 ]  - [  -0.0077958000000000,  0.0007061400000000, -0.0049576000000000 ]  - [  -0.0084184300000000,  0.0052179100000000, -0.0053801000000000 ]  - [  -0.0056574500000000,  0.0030529600000000, -0.0058307400000000 ]  - [  -0.0053592200000000,  0.0032909000000000, -0.0055313000000000 ]  - [   0.0006883700000000, -0.0009281200000000,  0.0085626000000000 ]  - [   0.0007039800000000, -0.0039781600000000,  0.0054961500000000 ]  - [   0.0081131800000000, -0.0036613600000000,  0.0081712500000000 ]  - [   0.0077342100000000, -0.0040468800000000,  0.0080983500000000 ]  - [   0.0079618200000000,  0.0033376000000000,  0.0085970800000000 ]  - [   0.0076207700000000,  0.0038938600000000,  0.0082677200000000 ]  - [   0.0081472800000000,  0.0049968300000000,  0.0106967300000000 ]  - [   0.0072928400000000,  0.0037885300000000,  0.0083407000000000 ]  - [   0.0910706300000000, -0.0063211700000000,  0.0022963300000000 ]  - [   0.0047877600000000,  0.0069382000000000, -0.0023229500000000 ]  - [   0.0056870300000000,  0.0068169700000000, -0.0021656700000000 ]  - [   0.0050873700000000,  0.0070396800000000, -0.0033452100000000 ]  - [   0.0054139800000000, -0.0074064600000000, -0.0019298000000000 ]  - [   0.0037528500000000, -0.0065521600000000, -0.0032366400000000 ]  - [   0.0037276800000000, -0.0074989000000000, -0.0082512800000000 ]  - [   0.0053956000000000, -0.0071423500000000, -0.0021163800000000 ]  - [  -0.0056956400000000, -0.0033318800000000, -0.0055131900000000 ]  - [  -0.0052904200000000, -0.0030517900000000, -0.0056141800000000 ]  - [  -0.0057033100000000, -0.0034215000000000, -0.0054863800000000 ]  - [  -0.0053549900000000, -0.0031946200000000, -0.0053120300000000 ]  - [  -0.0054163900000000,  0.0039185900000000, -0.0054378300000000 ]  - [  -0.0065687000000000,  0.0029046800000000, -0.0051653700000000 ]  - [  -0.0055602500000000,  0.0034783500000000, -0.0051061300000000 ]  - [  -0.0054479600000000,  0.0032693400000000, -0.0055688000000000 ]  - [   0.0083600400000000, -0.0029473400000000,  0.0079155300000000 ]  - [   0.0070624100000000, -0.0042428100000000,  0.0081296700000000 ]  - [   0.0078254700000000, -0.0037054700000000,  0.0084888700000000 ]  - [   0.0076567900000000, -0.0039288600000000,  0.0082874300000000 ]  - [   0.0077451000000000,  0.0040150700000000,  0.0081098600000000 ]  - [   0.0077881600000000,  0.0038693400000000,  0.0083434100000000 ]  - [   0.0078148400000000,  0.0038676500000000,  0.0082415400000000 ]  - [   0.0077220400000000,  0.0038589000000000,  0.0084882000000000 ]  - [   0.0054585200000000,  0.0066784100000000, -0.0021953700000000 ]  - [   0.0054499300000000,  0.0072336100000000, -0.0022018400000000 ]  - [   0.0055576700000000,  0.0069621900000000, -0.0021055800000000 ]  - [   0.0055568200000000,  0.0069670000000000, -0.0022280000000000 ]  - [   0.0056985600000000, -0.0067949500000000, -0.0021852800000000 ]  - [   0.0054695200000000, -0.0069898700000000, -0.0022372000000000 ]  - [   0.0056890100000000, -0.0069963500000000, -0.0022383800000000 ]  - [   0.0054546000000000, -0.0069586400000000, -0.0021746900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0016203000000000, -0.0000033600000000, -0.0000902800000000 ]  - [   0.0063158400000000,  0.0056571000000000,  0.0041635300000000 ]  - [  -0.0016622800000000,  0.0000923600000000, -0.0003055400000000 ]  - [  -0.0020726600000000, -0.0001594000000000, -0.0001099900000000 ]  - [  -0.0037363200000000,  0.0048612700000000, -0.0078617600000000 ]  - [  -0.0016085700000000, -0.0000454800000000,  0.0005255600000000 ]  - [  -0.0015412700000000, -0.0005149700000000, -0.0000817000000000 ]  - [  -0.0014137000000000,  0.0001621900000000,  0.0000827800000000 ]  - [  -0.0214749500000000,  0.0382911800000000,  0.0080451100000000 ]  - [  -0.0064509900000000, -0.0002686800000000, -0.0016338500000000 ]  - [  -0.0055134600000000, -0.0002724600000000, -0.0001014100000000 ]  - [  -0.0059334000000000, -0.0005056500000000, -0.0007482300000000 ]  - [  -0.0038904200000000,  0.0006380300000000, -0.0014528300000000 ]  - [  -0.0062020900000000,  0.0002956200000000, -0.0001392500000000 ]  - [  -0.0071418600000000,  0.0003101300000000, -0.0010869400000000 ]  - [  -0.0056232500000000,  0.0007407800000000, -0.0010438200000000 ]  - [   0.0000453000000000, -0.0013316900000000, -0.0009989600000000 ]  - [  -0.0019704100000000, -0.0004202200000000,  0.0001073100000000 ]  - [  -0.0019258100000000, -0.0004585600000000,  0.0004197600000000 ]  - [  -0.0018874200000000, -0.0000252700000000,  0.0002622000000000 ]  - [  -0.0018349700000000, -0.0001887100000000,  0.0004326900000000 ]  - [  -0.0021885100000000, -0.0003621900000000,  0.0003793100000000 ]  - [  -0.0018671000000000, -0.0000187100000000,  0.0001268300000000 ]  - [  -0.0022396200000000, -0.0000798100000000, -0.0000227300000000 ]  - [  -0.0078487100000000, -0.0022190700000000, -0.0005490400000000 ]  - [  -0.0054064200000000, -0.0004577700000000, -0.0009726400000000 ]  - [  -0.0058172800000000, -0.0006405100000000, -0.0012018400000000 ]  - [  -0.0060370500000000, -0.0008103600000000, -0.0007492500000000 ]  - [  -0.0060506300000000,  0.0004093200000000,  0.0006516800000000 ]  - [  -0.0060460100000000,  0.0007372900000000, -0.0004401400000000 ]  - [  -0.0056022100000000,  0.0004785700000000, -0.0007395100000000 ]  - [  -0.0060561800000000,  0.0006540700000000, -0.0008810700000000 ]  - [  -0.0064568800000000, -0.0025137800000000, -0.0047150300000000 ]  - [  -0.0054237700000000, -0.0033040600000000, -0.0053713100000000 ]  - [  -0.0050955000000000, -0.0031005900000000, -0.0082123400000000 ]  - [  -0.0054896800000000, -0.0033874400000000, -0.0055977600000000 ]  - [  -0.0045189900000000,  0.0034679400000000, -0.0054810600000000 ]  - [  -0.0096589200000000,  0.0060263600000000, -0.0053343200000000 ]  - [  -0.0056451100000000,  0.0032386400000000, -0.0055371900000000 ]  - [  -0.0053155800000000,  0.0032728500000000, -0.0052145900000000 ]  - [   0.0068766400000000, -0.0039748200000000,  0.0087580000000000 ]  - [   0.0105932900000000, -0.0038653200000000,  0.0090891500000000 ]  - [   0.0076226300000000, -0.0039823400000000,  0.0082646400000000 ]  - [   0.0078640900000000, -0.0039668100000000,  0.0081924200000000 ]  - [   0.0083317200000000,  0.0044359000000000,  0.0076873300000000 ]  - [   0.0076669500000000,  0.0038505600000000,  0.0084375100000000 ]  - [   0.0053470200000000,  0.0062665900000000,  0.0131702000000000 ]  - [   0.0077363500000000,  0.0039785900000000,  0.0080983500000000 ]  - [   0.0185412900000000, -0.0561594000000000, -0.0112056600000000 ]  - [   0.0055876200000000,  0.0070107900000000, -0.0022873600000000 ]  - [   0.0057054200000000,  0.0072337200000000, -0.0022337500000000 ]  - [   0.0054913600000000,  0.0068312100000000, -0.0021103400000000 ]  - [   0.0053891000000000, -0.0069725700000000, -0.0020751400000000 ]  - [   0.0050368300000000, -0.0070686000000000, -0.0026592700000000 ]  - [   0.0059834300000000, -0.0070683000000000, -0.0014869400000000 ]  - [   0.0051157200000000, -0.0069728600000000, -0.0020028600000000 ]  - [  -0.0055496800000000, -0.0031994900000000, -0.0054144700000000 ]  - [  -0.0051122400000000, -0.0030629800000000, -0.0054754700000000 ]  - [  -0.0054916400000000, -0.0031308600000000, -0.0056305400000000 ]  - [  -0.0055832700000000, -0.0028599500000000, -0.0052541900000000 ]  - [  -0.0080531400000000,  0.0099016000000000, -0.0045040300000000 ]  - [  -0.0050995100000000,  0.0036346800000000, -0.0055093900000000 ]  - [  -0.0055875400000000,  0.0033883200000000, -0.0057834800000000 ]  - [  -0.0054375200000000,  0.0032365100000000, -0.0054465800000000 ]  - [   0.0084818200000000, -0.0008720000000000,  0.0084684400000000 ]  - [   0.0073532800000000, -0.0038246500000000,  0.0081223000000000 ]  - [   0.0076628500000000, -0.0033416600000000,  0.0087226100000000 ]  - [   0.0077872100000000, -0.0038556900000000,  0.0082741300000000 ]  - [   0.0077231800000000,  0.0038853200000000,  0.0082535000000000 ]  - [   0.0078519100000000,  0.0039155300000000,  0.0082628800000000 ]  - [   0.0076105300000000,  0.0040279000000000,  0.0080497900000000 ]  - [   0.0077916700000000,  0.0039478900000000,  0.0081815100000000 ]  - [   0.0053074300000000,  0.0070645700000000, -0.0021547600000000 ]  - [   0.0058506400000000,  0.0070691100000000, -0.0021604900000000 ]  - [   0.0055651800000000,  0.0070018600000000, -0.0021665800000000 ]  - [   0.0055607700000000,  0.0070038000000000, -0.0020974200000000 ]  - [   0.0055431200000000, -0.0069254500000000, -0.0019251800000000 ]  - [   0.0055768300000000, -0.0069482900000000, -0.0021798500000000 ]  - [   0.0057270700000000, -0.0069275800000000, -0.0024958900000000 ]  - [   0.0055387100000000, -0.0069497600000000, -0.0022954900000000 ]- atom:   49  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0022221200000000, -0.0000430400000000,  0.0005175900000000 ]  - [  -0.0099671100000000, -0.0056230800000000, -0.0037378200000000 ]  - [  -0.0021724400000000, -0.0001447800000000,  0.0007315000000000 ]  - [  -0.0017663700000000,  0.0001077700000000,  0.0005420100000000 ]  - [  -0.0000335100000000, -0.0047263400000000,  0.0080904200000000 ]  - [  -0.0022300300000000,  0.0000981600000000, -0.0000934700000000 ]  - [  -0.0023000500000000,  0.0005685200000000,  0.0005217400000000 ]  - [  -0.0024191100000000, -0.0001082200000000,  0.0003475000000000 ]  - [   0.0103994800000000, -0.0408117200000000, -0.0101833800000000 ]  - [  -0.0055507400000000, -0.0010304000000000,  0.0000141700000000 ]  - [  -0.0064751000000000, -0.0010285900000000, -0.0015103100000000 ]  - [  -0.0060565100000000, -0.0007981900000000, -0.0008673200000000 ]  - [  -0.0081052900000000,  0.0006667600000000, -0.0001642900000000 ]  - [  -0.0057952400000000,  0.0010046000000000, -0.0014766900000000 ]  - [  -0.0048429200000000,  0.0009908800000000, -0.0005249600000000 ]  - [  -0.0063670500000000,  0.0005627000000000, -0.0005736200000000 ]  - [  -0.0039084300000000,  0.0013046300000000,  0.0014453700000000 ]  - [  -0.0018673800000000,  0.0003640400000000,  0.0003232500000000 ]  - [  -0.0019092200000000,  0.0004065100000000,  0.0000114200000000 ]  - [  -0.0019522500000000, -0.0000255600000000,  0.0001703400000000 ]  - [  -0.0020050600000000,  0.0002428400000000, -0.0000025800000000 ]  - [  -0.0016482400000000,  0.0004129500000000,  0.0000508000000000 ]  - [  -0.0019688300000000,  0.0000706800000000,  0.0003039500000000 ]  - [  -0.0015989900000000,  0.0001355100000000,  0.0004555400000000 ]  - [  -0.0041502400000000,  0.0009156000000000, -0.0010706500000000 ]  - [  -0.0065820700000000, -0.0008430900000000, -0.0006444800000000 ]  - [  -0.0061728700000000, -0.0006644500000000, -0.0004152300000000 ]  - [  -0.0059542400000000, -0.0004930000000000, -0.0008678900000000 ]  - [  -0.0059401600000000,  0.0008879900000000, -0.0022890300000000 ]  - [  -0.0059467800000000,  0.0005658000000000, -0.0011748300000000 ]  - [  -0.0063861300000000,  0.0008195800000000, -0.0008731200000000 ]  - [  -0.0059300100000000,  0.0006483900000000, -0.0007346900000000 ]  - [  -0.0044259000000000, -0.0039766100000000, -0.0062890000000000 ]  - [  -0.0054560300000000, -0.0031807400000000, -0.0056203800000000 ]  - [  -0.0057895300000000, -0.0033704100000000, -0.0027697400000000 ]  - [  -0.0053815800000000, -0.0030877600000000, -0.0053971900000000 ]  - [  -0.0063508700000000,  0.0030118500000000, -0.0055134400000000 ]  - [  -0.0012519300000000,  0.0004622500000000, -0.0056480300000000 ]  - [  -0.0052304400000000,  0.0032485200000000, -0.0054531200000000 ]  - [  -0.0055620000000000,  0.0032078400000000, -0.0057749000000000 ]  - [   0.0087044100000000, -0.0038138200000000,  0.0078134800000000 ]  - [   0.0049871700000000, -0.0039011700000000,  0.0074818300000000 ]  - [   0.0079397400000000, -0.0037891600000000,  0.0082973300000000 ]  - [   0.0077077600000000, -0.0038036000000000,  0.0083699000000000 ]  - [   0.0072350100000000,  0.0033550300000000,  0.0088627300000000 ]  - [   0.0079001200000000,  0.0039217100000000,  0.0081272700000000 ]  - [   0.0102073900000000,  0.0015109400000000,  0.0034225800000000 ]  - [   0.0078482900000000,  0.0037811800000000,  0.0084633100000000 ]  - [  -0.0085285300000000,  0.0711692400000000,  0.0075137600000000 ]  - [   0.0055428800000000,  0.0068904200000000, -0.0020900900000000 ]  - [   0.0054325700000000,  0.0066606100000000, -0.0021588000000000 ]  - [   0.0056459400000000,  0.0070671600000000, -0.0022791600000000 ]  - [   0.0057511200000000, -0.0069247800000000, -0.0023103500000000 ]  - [   0.0060987800000000, -0.0068295800000000, -0.0017231600000000 ]  - [   0.0051490900000000, -0.0068352400000000, -0.0028923600000000 ]  - [   0.0060087100000000, -0.0069245000000000, -0.0023880600000000 ]  - [  -0.0053276100000000, -0.0032846400000000, -0.0055739200000000 ]  - [  -0.0057627600000000, -0.0034164100000000, -0.0055209900000000 ]  - [  -0.0053851600000000, -0.0033405900000000, -0.0053547400000000 ]  - [  -0.0052944800000000, -0.0036201200000000, -0.0057387700000000 ]  - [  -0.0028050300000000, -0.0035481100000000, -0.0065016000000000 ]  - [  -0.0057808200000000,  0.0028423700000000, -0.0054796000000000 ]  - [  -0.0052896900000000,  0.0031010900000000, -0.0052055800000000 ]  - [  -0.0054425400000000,  0.0032488300000000, -0.0055433200000000 ]  - [   0.0070994000000000, -0.0068732700000000,  0.0081034400000000 ]  - [   0.0082190400000000, -0.0039409100000000,  0.0084386200000000 ]  - [   0.0079100100000000, -0.0044328200000000,  0.0078432700000000 ]  - [   0.0077758400000000, -0.0039173700000000,  0.0082895500000000 ]  - [   0.0078439600000000,  0.0038862700000000,  0.0083080000000000 ]  - [   0.0077207200000000,  0.0038488700000000,  0.0082978400000000 ]  - [   0.0079724100000000,  0.0037353900000000,  0.0085157400000000 ]  - [   0.0077801900000000,  0.0038226000000000,  0.0083807800000000 ]  - [   0.0058308700000000,  0.0068260000000000, -0.0022275400000000 ]  - [   0.0052793900000000,  0.0068348100000000, -0.0022258000000000 ]  - [   0.0055754900000000,  0.0068914200000000, -0.0022237300000000 ]  - [   0.0055778500000000,  0.0068954300000000, -0.0022841200000000 ]  - [   0.0055909900000000, -0.0069700100000000, -0.0024682500000000 ]  - [   0.0055597700000000, -0.0069494200000000, -0.0022019900000000 ]  - [   0.0054044700000000, -0.0069752400000000, -0.0018931600000000 ]  - [   0.0055905300000000, -0.0069469900000000, -0.0020997600000000 ]- atom:   49  displacement:    [  -0.0031877315310266,  0.0000000000000000,  0.0094783103813970 ]  forces:  - [  -0.0015747600000000,  0.0008364300000000,  0.0000347900000000 ]  - [  -0.0093148500000000,  0.0013734300000000,  0.0054557100000000 ]  - [  -0.0023823500000000, -0.0001644300000000, -0.0002053000000000 ]  - [  -0.0016548300000000,  0.0002273900000000, -0.0001794700000000 ]  - [  -0.0079572400000000, -0.0053139500000000,  0.0505644300000000 ]  - [  -0.0016609800000000,  0.0001479200000000,  0.0003865500000000 ]  - [  -0.0015896900000000,  0.0017601200000000, -0.0001600700000000 ]  - [  -0.0042999100000000,  0.0000886800000000,  0.0005046300000000 ]  - [  -0.0111420500000000,  0.0115016200000000,  0.0068244800000000 ]  - [  -0.0054964500000000, -0.0010755400000000, -0.0005652400000000 ]  - [  -0.0064733400000000, -0.0011646100000000, -0.0030453100000000 ]  - [  -0.0061647600000000, -0.0008843400000000, -0.0009484400000000 ]  - [  -0.0044135800000000,  0.0005737200000000, -0.0005711300000000 ]  - [  -0.0060504800000000,  0.0005388400000000, -0.0007422200000000 ]  - [  -0.0049440700000000,  0.0016098600000000, -0.0009335600000000 ]  - [  -0.0060938200000000,  0.0007866200000000, -0.0011410200000000 ]  - [  -0.0020188100000000, -0.0005581800000000,  0.0002566200000000 ]  - [  -0.0018780900000000, -0.0001141900000000,  0.0003593600000000 ]  - [  -0.0019175400000000, -0.0005730300000000,  0.0002542100000000 ]  - [  -0.0018312300000000, -0.0000828000000000,  0.0001114600000000 ]  - [  -0.0019325200000000,  0.0000103900000000,  0.0003824300000000 ]  - [  -0.0019007600000000, -0.0000887100000000,  0.0003069100000000 ]  - [  -0.0018792900000000, -0.0002056700000000, -0.0000284000000000 ]  - [  -0.0018729000000000, -0.0000942900000000,  0.0000064500000000 ]  - [  -0.0060900800000000, -0.0011409200000000, -0.0004241400000000 ]  - [  -0.0059259000000000, -0.0007404500000000, -0.0007102900000000 ]  - [  -0.0055887000000000, -0.0005899500000000, -0.0009337200000000 ]  - [  -0.0060348900000000, -0.0006799300000000, -0.0009389000000000 ]  - [  -0.0067181700000000,  0.0017005200000000,  0.0002260200000000 ]  - [  -0.0058539900000000,  0.0005062100000000, -0.0006951200000000 ]  - [  -0.0046520300000000, -0.0018664700000000, -0.0010943800000000 ]  - [  -0.0060563900000000,  0.0005922700000000, -0.0009047600000000 ]  - [  -0.0088168300000000,  0.0014429900000000, -0.0014110100000000 ]  - [  -0.0053451300000000, -0.0031169000000000, -0.0056697900000000 ]  - [  -0.0049635300000000, -0.0045573700000000, -0.0005223500000000 ]  - [  -0.0054763200000000, -0.0032835700000000, -0.0054351600000000 ]  - [  -0.0059537600000000,  0.0028543100000000, -0.0055842100000000 ]  - [  -0.0072781200000000,  0.0044528200000000, -0.0063475000000000 ]  - [  -0.0055230100000000,  0.0031578500000000, -0.0054911500000000 ]  - [  -0.0056471700000000,  0.0030445800000000, -0.0054016000000000 ]  - [   0.0065783300000000, -0.0032606200000000,  0.0078205400000000 ]  - [   0.0061973300000000, -0.0041993800000000,  0.0074109600000000 ]  - [   0.0080089900000000, -0.0037968900000000,  0.0085224800000000 ]  - [   0.0076920100000000, -0.0038489200000000,  0.0085154000000000 ]  - [   0.0064650700000000,  0.0013774300000000,  0.0117519200000000 ]  - [   0.0080657000000000,  0.0038231400000000,  0.0084608600000000 ]  - [   0.0063481900000000,  0.0057143800000000,  0.0117326200000000 ]  - [   0.0078383500000000,  0.0038430200000000,  0.0083189000000000 ]  - [   0.0284428400000000, -0.0060397000000000, -0.0838641300000000 ]  - [   0.0054477200000000,  0.0068511300000000, -0.0022326500000000 ]  - [   0.0055602100000000,  0.0068714000000000, -0.0020658900000000 ]  - [   0.0064967700000000,  0.0070533200000000, -0.0017051100000000 ]  - [   0.0054431900000000, -0.0072711200000000, -0.0020467800000000 ]  - [   0.0107343500000000, -0.0074833300000000,  0.0008525800000000 ]  - [   0.0059670700000000, -0.0066814000000000, -0.0007371200000000 ]  - [   0.0052528700000000, -0.0071151000000000, -0.0021095500000000 ]  - [  -0.0053702600000000, -0.0032203000000000, -0.0055114200000000 ]  - [  -0.0055111400000000, -0.0033020600000000, -0.0055546900000000 ]  - [  -0.0055416000000000, -0.0032175900000000, -0.0054926500000000 ]  - [  -0.0056049400000000, -0.0031109500000000, -0.0054741600000000 ]  - [  -0.0056022100000000,  0.0037349500000000, -0.0060408300000000 ]  - [  -0.0057386000000000,  0.0032457800000000, -0.0054707100000000 ]  - [  -0.0059161300000000,  0.0039137000000000, -0.0040036900000000 ]  - [  -0.0054635700000000,  0.0033388100000000, -0.0054450200000000 ]  - [   0.0081534200000000, -0.0030538600000000,  0.0080627800000000 ]  - [   0.0076252700000000, -0.0038766900000000,  0.0081522300000000 ]  - [   0.0076045600000000, -0.0034767600000000,  0.0085944800000000 ]  - [   0.0077736100000000, -0.0038537000000000,  0.0083148300000000 ]  - [   0.0076400200000000,  0.0042305900000000,  0.0084271300000000 ]  - [   0.0077370900000000,  0.0038158900000000,  0.0083685300000000 ]  - [   0.0079095800000000,  0.0037218000000000,  0.0081207300000000 ]  - [   0.0076756100000000,  0.0040326600000000,  0.0081330000000000 ]  - [   0.0055476200000000,  0.0068841700000000, -0.0021971600000000 ]  - [   0.0055266900000000,  0.0070732400000000, -0.0022048700000000 ]  - [   0.0056006500000000,  0.0070388400000000, -0.0021004100000000 ]  - [   0.0054672800000000,  0.0069777500000000, -0.0021378500000000 ]  - [   0.0056384300000000, -0.0066097900000000, -0.0021602200000000 ]  - [   0.0055033900000000, -0.0068621400000000, -0.0022169600000000 ]  - [   0.0055985600000000, -0.0072163400000000, -0.0021782100000000 ]  - [   0.0055760200000000, -0.0069566600000000, -0.0021997100000000 ]- atom:   49  displacement:    [   0.0031877315310266,  0.0000000000000000, -0.0094783103813970 ]  forces:  - [  -0.0022664000000000, -0.0008901700000000,  0.0004016500000000 ]  - [   0.0055857700000000, -0.0013931700000000, -0.0049771900000000 ]  - [  -0.0014545600000000,  0.0001087100000000,  0.0006334100000000 ]  - [  -0.0021811500000000, -0.0002803100000000,  0.0006109800000000 ]  - [   0.0041146000000000,  0.0052160800000000, -0.0479112200000000 ]  - [  -0.0021770400000000, -0.0000953900000000,  0.0000469400000000 ]  - [  -0.0022346200000000, -0.0017373100000000,  0.0005704300000000 ]  - [   0.0004620300000000, -0.0000363400000000, -0.0000827500000000 ]  - [  -0.0007357200000000, -0.0130474200000000, -0.0083588600000000 ]  - [  -0.0065081100000000, -0.0002249500000000, -0.0010637000000000 ]  - [  -0.0055232600000000, -0.0001584600000000,  0.0014067000000000 ]  - [  -0.0058269700000000, -0.0004180100000000, -0.0006675700000000 ]  - [  -0.0075786700000000,  0.0007281600000000, -0.0010360900000000 ]  - [  -0.0059490400000000,  0.0007600900000000, -0.0008758300000000 ]  - [  -0.0070621800000000, -0.0002980500000000, -0.0007003500000000 ]  - [  -0.0058979400000000,  0.0005164300000000, -0.0004762200000000 ]  - [  -0.0018174200000000,  0.0005060500000000,  0.0001701600000000 ]  - [  -0.0019587400000000,  0.0000615000000000,  0.0000725200000000 ]  - [  -0.0019188100000000,  0.0005358000000000,  0.0001757700000000 ]  - [  -0.0020066600000000,  0.0000344000000000,  0.0003209600000000 ]  - [  -0.0019070600000000,  0.0000426800000000,  0.0000531500000000 ]  - [  -0.0019301700000000,  0.0001399100000000,  0.0001259600000000 ]  - [  -0.0019570000000000,  0.0002588100000000,  0.0004584600000000 ]  - [  -0.0019625400000000,  0.0001512900000000,  0.0004258900000000 ]  - [  -0.0059003000000000, -0.0001572400000000, -0.0011937300000000 ]  - [  -0.0060674800000000, -0.0005702400000000, -0.0009039300000000 ]  - [  -0.0063999800000000, -0.0007134000000000, -0.0006828500000000 ]  - [  -0.0059569600000000, -0.0006217200000000, -0.0006783400000000 ]  - [  -0.0052846700000000, -0.0003860500000000, -0.0018325200000000 ]  - [  -0.0061358000000000,  0.0007957500000000, -0.0009180700000000 ]  - [  -0.0073481200000000,  0.0031820200000000, -0.0005372700000000 ]  - [  -0.0059321000000000,  0.0007091500000000, -0.0007122800000000 ]  - [  -0.0020343900000000, -0.0079875900000000, -0.0096513300000000 ]  - [  -0.0055337100000000, -0.0033682500000000, -0.0053186800000000 ]  - [  -0.0059260700000000, -0.0019704200000000, -0.0103628300000000 ]  - [  -0.0053961800000000, -0.0031935800000000, -0.0055574300000000 ]  - [  -0.0049198400000000,  0.0036355700000000, -0.0054153400000000 ]  - [  -0.0036053700000000,  0.0020208600000000, -0.0046551700000000 ]  - [  -0.0053535800000000,  0.0033311200000000, -0.0054999300000000 ]  - [  -0.0052307200000000,  0.0034350200000000, -0.0055786300000000 ]  - [   0.0090060900000000, -0.0045103000000000,  0.0087385500000000 ]  - [   0.0094024000000000, -0.0035731900000000,  0.0091622000000000 ]  - [   0.0075558900000000, -0.0039705100000000,  0.0080405500000000 ]  - [   0.0078786700000000, -0.0039162100000000,  0.0080508900000000 ]  - [   0.0091254600000000,  0.0064581100000000,  0.0047454600000000 ]  - [   0.0075010500000000,  0.0039485900000000,  0.0081034800000000 ]  - [   0.0091999800000000,  0.0021008500000000,  0.0049034000000000 ]  - [   0.0077456500000000,  0.0039168400000000,  0.0082427500000000 ]  - [  -0.0175502700000000,  0.0203209800000000,  0.0771515200000000 ]  - [   0.0056904300000000,  0.0070473600000000, -0.0021463600000000 ]  - [   0.0055753800000000,  0.0070325600000000, -0.0023201700000000 ]  - [   0.0046445300000000,  0.0068471000000000, -0.0026860700000000 ]  - [   0.0056940400000000, -0.0066247600000000, -0.0023405100000000 ]  - [   0.0003944200000000, -0.0064175300000000, -0.0052540300000000 ]  - [   0.0051823500000000, -0.0072236600000000, -0.0036275100000000 ]  - [   0.0058741800000000, -0.0067856000000000, -0.0022809100000000 ]  - [  -0.0055042400000000, -0.0032641100000000, -0.0054727700000000 ]  - [  -0.0053629100000000, -0.0031811800000000, -0.0054487500000000 ]  - [  -0.0053365300000000, -0.0032524200000000, -0.0054924600000000 ]  - [  -0.0052776500000000, -0.0033724600000000, -0.0055169200000000 ]  - [  -0.0052833300000000,  0.0027571600000000, -0.0049510900000000 ]  - [  -0.0051359600000000,  0.0032346700000000, -0.0055176000000000 ]  - [  -0.0049563100000000,  0.0025645500000000, -0.0069749000000000 ]  - [  -0.0054183600000000,  0.0031480100000000, -0.0055421200000000 ]  - [   0.0074317100000000, -0.0047217500000000,  0.0084984400000000 ]  - [   0.0079434900000000, -0.0038844300000000,  0.0084061000000000 ]  - [   0.0079622100000000, -0.0043012300000000,  0.0079706000000000 ]  - [   0.0077871200000000, -0.0039191000000000,  0.0082486800000000 ]  - [   0.0079270800000000,  0.0035346600000000,  0.0081339500000000 ]  - [   0.0078358100000000,  0.0039454200000000,  0.0081898200000000 ]  - [   0.0076707600000000,  0.0040364300000000,  0.0084387900000000 ]  - [   0.0078893300000000,  0.0037399900000000,  0.0084252100000000 ]  - [   0.0055914000000000,  0.0070087600000000, -0.0021853100000000 ]  - [   0.0055984000000000,  0.0068329900000000, -0.0021840900000000 ]  - [   0.0055421800000000,  0.0068530700000000, -0.0022895100000000 ]  - [   0.0056739000000000,  0.0069212100000000, -0.0022409100000000 ]  - [   0.0054910400000000, -0.0072856600000000, -0.0022270500000000 ]  - [   0.0056353900000000, -0.0070357200000000, -0.0021640200000000 ]  - [   0.0055380900000000, -0.0066910000000000, -0.0022137900000000 ]  - [   0.0055540700000000, -0.0069398200000000, -0.0021983700000000 ]