# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/15198b25-c08b-4432-832c-295f62d4916b/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 Er2Si2O7 / C2/m (12) / materials id 7064](https://mdr.nims.go.jp/datasets/35018dd0-fbcf-4c01-bd69-c913d2877f8e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"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: - [ 3.394120510000000, -4.439962415000000, 0.004994435000000 ] # a - [ 3.394120510000000, 4.439962415000000, 0.004994435000000 ] # b - [ -0.982544900000000, 0.000000000000000, 4.630474780000000 ] # c points: - symbol: O # 1 coordinates: [ 0.388953530000000, 0.085428610000000, 0.219581870000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.914571390000000, 0.611046470000000, 0.780418130000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.611046470000000, 0.914571390000000, 0.780418130000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.085428610000000, 0.388953530000000, 0.219581870000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.385448020000000, 0.385448020000000, 0.716845010000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.614551980000000, 0.614551980000000, 0.283154990000000 ] mass: 15.999400 - symbol: Si # 8 coordinates: [ 0.778958340000000, 0.778958340000000, 0.588295210000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.221041660000000, 0.221041660000000, 0.411704790000000 ] mass: 28.085500 - symbol: Er # 10 coordinates: [ 0.306861320000000, 0.693138680000000, 0.000000000000000 ] mass: 167.259000 - symbol: Er # 11 coordinates: [ 0.693138680000000, 0.306861320000000, 0.000000000000000 ] mass: 167.259000 reciprocal_lattice: # without 2pi - [ 0.147267584687857, -0.112613565896593, 0.031248850527239 ] # a* - [ 0.147267584687857, 0.112613565896593, 0.031248850527239 ] # b* - [ -0.000317685945514, 0.000000000000000, 0.215893165774771 ] # c*unit_cell: lattice: - [ 6.788241020000000, 0.000000000000000, 0.009988870000000 ] # a - [ 0.000000000000000, 8.879924830000000, 0.000000000000000 ] # b - [ -0.982544900000000, 0.000000000000000, 4.630474780000000 ] # c points: - symbol: O # 1 coordinates: [ 0.237191070000000, 0.848237540000000, 0.219581870000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.762808930000000, 0.848237540000000, 0.780418130000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.762808930000000, 0.151762460000000, 0.780418130000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.237191070000000, 0.151762460000000, 0.219581870000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.385448020000000, 0.000000000000000, 0.716845010000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.614551980000000, 0.000000000000000, 0.283154990000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.737191070000000, 0.348237540000000, 0.219581870000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.262808930000000, 0.348237540000000, 0.780418130000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 10 coordinates: [ 0.262808930000000, 0.651762460000000, 0.780418130000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 11 coordinates: [ 0.737191070000000, 0.651762460000000, 0.219581870000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 13 coordinates: [ 0.885448020000000, 0.500000000000000, 0.716845010000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 14 coordinates: [ 0.114551980000000, 0.500000000000000, 0.283154990000000 ] mass: 15.999400 reduced_to: 7 - symbol: Si # 15 coordinates: [ 0.778958340000000, 0.000000000000000, 0.588295210000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.221041660000000, 0.000000000000000, 0.411704790000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.278958340000000, 0.500000000000000, 0.588295210000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 18 coordinates: [ 0.721041660000000, 0.500000000000000, 0.411704790000000 ] mass: 28.085500 reduced_to: 16 - symbol: Er # 19 coordinates: [ 0.500000000000000, 0.193138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 20 coordinates: [ 0.500000000000000, 0.806861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 20 - symbol: Er # 21 coordinates: [ 0.000000000000000, 0.693138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 22 coordinates: [ 0.000000000000000, 0.306861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 20supercell: lattice: - [ 13.576482040000000, 0.000000000000000, 0.019977740000000 ] # a - [ 0.000000000000000, 8.879924830000000, 0.000000000000000 ] # b - [ -1.965089800000000, 0.000000000000000, 9.260949560000000 ] # c points: - symbol: O # 1 coordinates: [ 0.118595535000000, 0.848237540000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.618595535000000, 0.848237540000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.118595535000000, 0.848237540000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.618595535000000, 0.848237540000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.381404465000000, 0.848237540000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.881404465000000, 0.848237540000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.381404465000000, 0.848237540000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.881404465000000, 0.848237540000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.381404465000000, 0.151762460000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.881404465000000, 0.151762460000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.381404465000000, 0.151762460000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.881404465000000, 0.151762460000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.118595535000000, 0.151762460000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.618595535000000, 0.151762460000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.118595535000000, 0.151762460000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.618595535000000, 0.151762460000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.192724010000000, 0.000000000000000, 0.358422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.692724010000000, 0.000000000000000, 0.358422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.192724010000000, 0.000000000000000, 0.858422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.692724010000000, 0.000000000000000, 0.858422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.307275990000000, 0.000000000000000, 0.141577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.807275990000000, 0.000000000000000, 0.141577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.307275990000000, 0.000000000000000, 0.641577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.807275990000000, 0.000000000000000, 0.641577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.368595535000000, 0.348237540000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.868595535000000, 0.348237540000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 31 coordinates: [ 0.368595535000000, 0.348237540000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 32 coordinates: [ 0.868595535000000, 0.348237540000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 33 coordinates: [ 0.131404465000000, 0.348237540000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.631404465000000, 0.348237540000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 35 coordinates: [ 0.131404465000000, 0.348237540000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 36 coordinates: [ 0.631404465000000, 0.348237540000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 37 coordinates: [ 0.131404465000000, 0.651762460000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.631404465000000, 0.651762460000000, 0.390209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 39 coordinates: [ 0.131404465000000, 0.651762460000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 40 coordinates: [ 0.631404465000000, 0.651762460000000, 0.890209065000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 41 coordinates: [ 0.368595535000000, 0.651762460000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.868595535000000, 0.651762460000000, 0.109790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 43 coordinates: [ 0.368595535000000, 0.651762460000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 44 coordinates: [ 0.868595535000000, 0.651762460000000, 0.609790935000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 48 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 49 coordinates: [ 0.442724010000000, 0.500000000000000, 0.358422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 50 coordinates: [ 0.942724010000000, 0.500000000000000, 0.358422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 51 coordinates: [ 0.442724010000000, 0.500000000000000, 0.858422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 52 coordinates: [ 0.942724010000000, 0.500000000000000, 0.858422505000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 53 coordinates: [ 0.057275990000000, 0.500000000000000, 0.141577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 54 coordinates: [ 0.557275990000000, 0.500000000000000, 0.141577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 55 coordinates: [ 0.057275990000000, 0.500000000000000, 0.641577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 56 coordinates: [ 0.557275990000000, 0.500000000000000, 0.641577495000000 ] mass: 15.999400 reduced_to: 25 - symbol: Si # 57 coordinates: [ 0.389479170000000, 0.000000000000000, 0.294147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.889479170000000, 0.000000000000000, 0.294147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 59 coordinates: [ 0.389479170000000, 0.000000000000000, 0.794147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 60 coordinates: [ 0.889479170000000, 0.000000000000000, 0.794147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 61 coordinates: [ 0.110520830000000, 0.000000000000000, 0.205852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.610520830000000, 0.000000000000000, 0.205852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 63 coordinates: [ 0.110520830000000, 0.000000000000000, 0.705852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 64 coordinates: [ 0.610520830000000, 0.000000000000000, 0.705852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 65 coordinates: [ 0.139479170000000, 0.500000000000000, 0.294147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 66 coordinates: [ 0.639479170000000, 0.500000000000000, 0.294147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 67 coordinates: [ 0.139479170000000, 0.500000000000000, 0.794147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 68 coordinates: [ 0.639479170000000, 0.500000000000000, 0.794147605000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 69 coordinates: [ 0.360520830000000, 0.500000000000000, 0.205852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 70 coordinates: [ 0.860520830000000, 0.500000000000000, 0.205852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 71 coordinates: [ 0.360520830000000, 0.500000000000000, 0.705852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 72 coordinates: [ 0.860520830000000, 0.500000000000000, 0.705852395000000 ] mass: 28.085500 reduced_to: 61 - symbol: Er # 73 coordinates: [ 0.250000000000000, 0.193138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 74 coordinates: [ 0.750000000000000, 0.193138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 75 coordinates: [ 0.250000000000000, 0.193138680000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 76 coordinates: [ 0.750000000000000, 0.193138680000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 77 coordinates: [ 0.250000000000000, 0.806861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 78 coordinates: [ 0.750000000000000, 0.806861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 79 coordinates: [ 0.250000000000000, 0.806861320000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 80 coordinates: [ 0.750000000000000, 0.806861320000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 81 coordinates: [ 0.000000000000000, 0.693138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 82 coordinates: [ 0.500000000000000, 0.693138680000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 83 coordinates: [ 0.000000000000000, 0.693138680000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 84 coordinates: [ 0.500000000000000, 0.693138680000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 73 - symbol: Er # 85 coordinates: [ 0.000000000000000, 0.306861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 86 coordinates: [ 0.500000000000000, 0.306861320000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 87 coordinates: [ 0.000000000000000, 0.306861320000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 77 - symbol: Er # 88 coordinates: [ 0.500000000000000, 0.306861320000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 77born_effective_charge:- # 1 (O) - [ -2.151679520000000, -0.130574660000000, 0.130347590000000 ] - [ -0.234711020000000, -2.196239820000000, -0.730710110000000 ] - [ 0.118945210000000, -0.701683490000000, -1.798795120000000 ]- # 2 (O) - [ -2.151679520000000, 0.130574660000000, 0.130347590000000 ] - [ 0.234711020000000, -2.196239820000000, 0.730710110000000 ] - [ 0.118945210000000, 0.701683490000001, -1.798795120000000 ]- # 3 (O) - [ -2.151679520000000, -0.130574660000000, 0.130347590000000 ] - [ -0.234711020000000, -2.196239820000000, -0.730710110000000 ] - [ 0.118945210000000, -0.701683490000000, -1.798795120000000 ]- # 4 (O) - [ -2.151679520000000, 0.130574660000000, 0.130347590000000 ] - [ 0.234711020000000, -2.196239820000000, 0.730710110000000 ] - [ 0.118945210000000, 0.701683490000001, -1.798795120000000 ]- # 5 (O) - [ -3.294627620000000, 0.000000000000000, 0.566042100000000 ] - [ 0.000000000000000, -1.213149220000000, -0.000000000000000 ] - [ 0.514574300000000, -0.000000000000000, -1.426166400000000 ]- # 6 (O) - [ -1.659068840000000, -0.000000000000000, -0.642452900000000 ] - [ -0.000000000000000, -2.112614270000000, 0.000000000000000 ] - [ -0.550807460000000, -0.000000000000000, -2.526951250000000 ]- # 7 (O) - [ -1.659068840000000, -0.000000000000000, -0.642452900000000 ] - [ -0.000000000000000, -2.112614270000000, 0.000000000000000 ] - [ -0.550807460000000, -0.000000000000000, -2.526951250000000 ]- # 8 (Si) - [ 3.602811100000000, -0.000000000000000, -0.046253010000000 ] - [ -0.000000000000000, 3.233834950000000, 0.000000000000000 ] - [ -0.110987930000000, 0.000000000000000, 3.579394800000000 ]- # 9 (Si) - [ 3.602811100000001, -0.000000000000000, -0.046253010000000 ] - [ -0.000000000000000, 3.233834950000001, 0.000000000000000 ] - [ -0.110987930000000, 0.000000000000000, 3.579394800000000 ]- # 10 (Er) - [ 4.006930590000000, 0.000000000000000, 0.144989680000000 ] - [ -0.000000000000000, 3.877833570000000, -0.000000000000000 ] - [ 0.166617820000000, -0.000000000000000, 3.258229880000000 ]- # 11 (Er) - [ 4.006930590000000, 0.000000000000000, 0.144989680000000 ] - [ -0.000000000000000, 3.877833570000001, -0.000000000000000 ] - [ 0.166617820000000, -0.000000000000000, 3.258229880000000 ]dielectric_constant: - [ 3.363394370000000, 0.000000000000000, 0.044994620000000 ] - [ 0.000000000000000, 3.298647220000000, 0.000000000000000 ] - [ 0.044995450000000, 0.000000000000000, 3.138644810000000 ]displacements:- atom: 1 displacement: [ 0.0099999891735141, 0.0000000000000000, 0.0000147149447937 ] forces: - [ -0.1173100300000000, 0.0176520000000000, 0.0282332800000000 ] - [ 0.0029797900000000, 0.0004160500000000, 0.0002555700000000 ] - [ -0.0022290300000000, -0.0005607200000000, -0.0014836000000000 ] - [ 0.0019563700000000, 0.0002830300000000, 0.0004152200000000 ] - [ 0.0009406300000000, -0.0006388000000000, 0.0025285900000000 ] - [ 0.0022682500000000, 0.0017911200000000, -0.0021617000000000 ] - [ 0.0097651900000000, 0.0038199400000000, -0.0046722900000000 ] - [ 0.0042118200000000, -0.0020388000000000, 0.0040515500000000 ] - [ 0.0002443400000000, 0.0013929100000000, 0.0021163700000000 ] - [ 0.0034708500000000, -0.0025335600000000, -0.0027142700000000 ] - [ 0.0008129800000000, 0.0015456700000000, -0.0005031600000000 ] - [ 0.0003714800000000, -0.0010120400000000, 0.0004985800000000 ] - [ -0.0101869800000000, -0.0000177600000000, 0.0000918600000000 ] - [ 0.0023380900000000, -0.0002674400000000, 0.0001481800000000 ] - [ -0.0022273900000000, 0.0007684000000000, -0.0013898200000000 ] - [ 0.0019930800000000, -0.0002016900000000, 0.0002843200000000 ] - [ 0.0185076100000000, -0.0159060400000000, -0.0165738200000000 ] - [ 0.0048835000000000, 0.0000168800000000, 0.0006778500000000 ] - [ -0.0039422400000000, -0.0006055800000000, 0.0011304500000000 ] - [ 0.0034682000000000, 0.0008026700000000, -0.0011021000000000 ] - [ -0.0059442900000000, 0.0046301400000000, 0.0053740100000000 ] - [ 0.0019684000000000, 0.0000701800000000, 0.0007367800000000 ] - [ -0.0023190000000000, 0.0050799800000000, -0.0074700700000000 ] - [ 0.0018950100000000, -0.0004356900000000, 0.0011077000000000 ] - [ 0.0123329400000000, 0.0110287500000000, 0.0051464800000000 ] - [ 0.0034603100000000, -0.0003892700000000, 0.0017511400000000 ] - [ -0.0002482500000000, 0.0005442700000000, -0.0012796300000000 ] - [ 0.0007699400000000, -0.0004678000000000, 0.0014999700000000 ] - [ 0.0006785200000000, -0.0000160900000000, 0.0001670700000000 ] - [ 0.0006875100000000, 0.0005910000000000, 0.0001097300000000 ] - [ 0.0003868000000000, 0.0003756500000000, 0.0000997400000000 ] - [ 0.0003913400000000, 0.0006669900000000, 0.0013873400000000 ] - [ -0.0022430700000000, 0.0006644400000000, -0.0009710500000000 ] - [ 0.0015627200000000, -0.0001618400000000, 0.0002492300000000 ] - [ -0.0030327300000000, 0.0006223700000000, -0.0004009300000000 ] - [ 0.0017196700000000, -0.0001181100000000, 0.0000564100000000 ] - [ -0.0037876100000000, -0.0000059700000000, -0.0015955200000000 ] - [ 0.0015880900000000, 0.0000771000000000, 0.0002369200000000 ] - [ -0.0083761800000000, -0.0057903700000000, -0.0044144700000000 ] - [ 0.0023882800000000, 0.0001253100000000, 0.0000544100000000 ] - [ 0.0040914300000000, -0.0050602700000000, 0.0030951700000000 ] - [ 0.0040695300000000, 0.0015990100000000, -0.0012996700000000 ] - [ 0.0002416700000000, -0.0006046800000000, -0.0001042800000000 ] - [ 0.0002452600000000, -0.0003411200000000, 0.0010508700000000 ] - [ -0.0031173100000000, -0.0017188000000000, 0.0012664600000000 ] - [ 0.0026254800000000, 0.0003342100000000, -0.0006510500000000 ] - [ -0.0010296300000000, -0.0004510900000000, -0.0004307500000000 ] - [ 0.0025529800000000, 0.0000406500000000, 0.0001698400000000 ] - [ 0.0008540100000000, -0.0006313100000000, 0.0013261700000000 ] - [ -0.0004609700000000, 0.0003904600000000, -0.0015264400000000 ] - [ 0.0006898800000000, -0.0005294200000000, -0.0004837400000000 ] - [ 0.0015872800000000, 0.0085820900000000, 0.0069937300000000 ] - [ -0.0030221900000000, 0.0034799300000000, -0.0028549200000000 ] - [ 0.0018212500000000, -0.0005781700000000, 0.0015119800000000 ] - [ -0.0016434200000000, -0.0003946000000000, -0.0012875000000000 ] - [ 0.0012738300000000, -0.0000775600000000, 0.0012846100000000 ] - [ -0.0055907900000000, -0.0007417900000000, -0.0087934700000000 ] - [ -0.0141520700000000, -0.0010708900000000, 0.0026624200000000 ] - [ -0.0024776500000000, -0.0039673800000000, 0.0034226200000000 ] - [ 0.0009098700000000, 0.0033339800000000, -0.0045777500000000 ] - [ 0.0463661400000000, -0.0274526000000000, -0.0163164600000000 ] - [ -0.0044443200000000, -0.0001646400000000, -0.0000145400000000 ] - [ 0.0067377500000000, -0.0000278100000000, 0.0050542900000000 ] - [ -0.0033576300000000, 0.0000087400000000, -0.0007024100000000 ] - [ 0.0058392600000000, 0.0000854500000000, 0.0013352300000000 ] - [ -0.0034284800000000, 0.0000967400000000, -0.0011261800000000 ] - [ 0.0025109400000000, 0.0019475900000000, 0.0017297800000000 ] - [ -0.0031749000000000, -0.0000187900000000, -0.0006972300000000 ] - [ 0.0008333500000000, 0.0036018800000000, -0.0026932000000000 ] - [ -0.0016005300000000, -0.0023524600000000, 0.0027030900000000 ] - [ 0.0003784100000000, 0.0004228600000000, 0.0006383100000000 ] - [ -0.0023531300000000, 0.0004143000000000, -0.0036009900000000 ] - [ 0.0040345400000000, -0.0061910700000000, 0.0019253000000000 ] - [ -0.0036236700000000, 0.0014753500000000, -0.0010721500000000 ] - [ 0.0022756500000000, -0.0013409700000000, 0.0002435600000000 ] - [ -0.0033979600000000, 0.0006295500000000, -0.0003364000000000 ] - [ 0.0236540800000000, -0.0059336300000000, -0.0073934200000000 ] - [ -0.0064581400000000, -0.0005858000000000, -0.0010055200000000 ] - [ 0.0032902900000000, 0.0013296300000000, -0.0014606100000000 ] - [ -0.0033038800000000, -0.0007236700000000, -0.0006004600000000 ] - [ 0.0296433800000000, 0.0111752100000000, 0.0091890100000000 ] - [ -0.0062592900000000, 0.0023171100000000, -0.0005569000000000 ] - [ 0.0024705400000000, -0.0005292100000000, 0.0029301400000000 ] - [ -0.0028760600000000, 0.0011167600000000, -0.0014766900000000 ] - [ 0.0034587000000000, -0.0017416300000000, -0.0000206900000000 ] - [ -0.0032577400000000, -0.0007497200000000, -0.0002141600000000 ] - [ 0.0028674200000000, 0.0005867600000000, 0.0021887400000000 ] - [ -0.0024880800000000, -0.0007864900000000, -0.0011000900000000 ]- atom: 1 displacement: [ -0.0099999891735141, 0.0000000000000000, -0.0000147149447937 ] forces: - [ 0.1158387000000000, -0.0157988100000000, -0.0261321300000000 ] - [ -0.0027879100000000, -0.0001364800000000, -0.0000547500000000 ] - [ 0.0024241400000000, 0.0008393400000000, 0.0016619200000000 ] - [ -0.0017700800000000, -0.0000012300000000, -0.0002159000000000 ] - [ -0.0011445500000000, 0.0009221800000000, -0.0027141800000000 ] - [ -0.0024455900000000, -0.0015098600000000, 0.0019614400000000 ] - [ -0.0098376300000000, -0.0034845100000000, 0.0044210000000000 ] - [ -0.0044216200000000, 0.0023289400000000, -0.0042757200000000 ] - [ -0.0004560300000000, -0.0016602900000000, -0.0022968300000000 ] - [ -0.0036563500000000, 0.0022523800000000, 0.0025149500000000 ] - [ -0.0010100600000000, -0.0018091100000000, 0.0003017800000000 ] - [ -0.0005487100000000, 0.0007484500000000, -0.0006853200000000 ] - [ 0.0103684600000000, -0.0005084600000000, 0.0001165500000000 ] - [ -0.0021492200000000, -0.0000036000000000, 0.0000469900000000 ] - [ 0.0024269000000000, -0.0010398000000000, 0.0015694600000000 ] - [ -0.0018064700000000, -0.0000662600000000, -0.0000932600000000 ] - [ -0.0185549900000000, 0.0160955100000000, 0.0167460800000000 ] - [ -0.0048701800000000, -0.0000172700000000, -0.0006665500000000 ] - [ 0.0039470700000000, 0.0006069100000000, -0.0011254000000000 ] - [ -0.0034593200000000, -0.0007931500000000, 0.0010902400000000 ] - [ 0.0057994100000000, -0.0047335100000000, -0.0060657900000000 ] - [ -0.0020347800000000, -0.0000685200000000, -0.0012637400000000 ] - [ 0.0022033100000000, -0.0050284900000000, 0.0068936300000000 ] - [ -0.0019717100000000, 0.0004389800000000, -0.0016505400000000 ] - [ -0.0120959500000000, -0.0108458800000000, -0.0045365600000000 ] - [ -0.0033853600000000, 0.0003941700000000, -0.0012129300000000 ] - [ 0.0003025000000000, -0.0005364000000000, 0.0017704900000000 ] - [ -0.0007025900000000, 0.0004734200000000, -0.0009689800000000 ] - [ -0.0004963100000000, 0.0002784300000000, 0.0000297000000000 ] - [ -0.0004874300000000, -0.0003233500000000, 0.0000858600000000 ] - [ -0.0002118800000000, -0.0001067500000000, 0.0000880800000000 ] - [ -0.0002018600000000, -0.0003925900000000, -0.0011982400000000 ] - [ 0.0020641000000000, -0.0004101600000000, 0.0007770700000000 ] - [ -0.0017551300000000, 0.0004365800000000, -0.0004448300000000 ] - [ 0.0028381400000000, -0.0003711800000000, 0.0002209900000000 ] - [ -0.0019077000000000, 0.0003931100000000, -0.0002582000000000 ] - [ 0.0036147500000000, -0.0002339700000000, 0.0013648600000000 ] - [ -0.0017808300000000, -0.0003420600000000, -0.0004238300000000 ] - [ 0.0081483200000000, 0.0054802300000000, 0.0041843500000000 ] - [ -0.0025737700000000, -0.0004031300000000, -0.0002544800000000 ] - [ -0.0038653400000000, 0.0047249500000000, -0.0028480000000000 ] - [ -0.0038990800000000, -0.0018903400000000, 0.0015077100000000 ] - [ -0.0000644500000000, 0.0003321900000000, 0.0002896000000000 ] - [ -0.0000555300000000, 0.0000675600000000, -0.0008596500000000 ] - [ 0.0030916500000000, 0.0017055700000000, -0.0012471100000000 ] - [ -0.0026315700000000, -0.0003376400000000, 0.0006542800000000 ] - [ 0.0010342200000000, 0.0004403700000000, 0.0004234300000000 ] - [ -0.0025611900000000, -0.0000417900000000, -0.0001760700000000 ] - [ -0.0009263900000000, 0.0006219400000000, -0.0018539600000000 ] - [ 0.0004038900000000, -0.0003925000000000, 0.0010025900000000 ] - [ -0.0007603300000000, 0.0005211400000000, -0.0000652700000000 ] - [ -0.0016900100000000, -0.0086693600000000, -0.0075729300000000 ] - [ 0.0031174800000000, -0.0034899200000000, 0.0034232100000000 ] - [ -0.0017484100000000, 0.0005693900000000, -0.0009729500000000 ] - [ 0.0017140900000000, 0.0003894600000000, 0.0018033900000000 ] - [ -0.0012048000000000, 0.0000757100000000, -0.0007488800000000 ] - [ 0.0049951200000000, 0.0007383600000000, 0.0083073600000000 ] - [ 0.0134848900000000, 0.0010663100000000, -0.0030748300000000 ] - [ 0.0018727000000000, 0.0039228500000000, -0.0037955200000000 ] - [ -0.0015440600000000, -0.0033607300000000, 0.0041628900000000 ] - [ -0.0452638800000000, 0.0272919800000000, 0.0166448000000000 ] - [ 0.0050442900000000, 0.0001578100000000, 0.0004296600000000 ] - [ -0.0061129200000000, 0.0000260300000000, -0.0046128700000000 ] - [ 0.0039605000000000, -0.0000106600000000, 0.0011265400000000 ] - [ -0.0064284400000000, -0.0001083800000000, -0.0017746000000000 ] - [ 0.0028132400000000, -0.0000968200000000, 0.0006969700000000 ] - [ -0.0031221000000000, -0.0019129700000000, -0.0021363900000000 ] - [ 0.0025678000000000, 0.0000231800000000, 0.0002819800000000 ] - [ -0.0001985900000000, -0.0035540200000000, 0.0030816000000000 ] - [ 0.0022013500000000, 0.0023739500000000, -0.0022973900000000 ] - [ 0.0002292000000000, -0.0004155900000000, -0.0001950300000000 ] - [ 0.0029646100000000, -0.0004147500000000, 0.0040402900000000 ] - [ -0.0039278700000000, 0.0071125600000000, -0.0019451700000000 ] - [ 0.0036042900000000, -0.0005369800000000, 0.0010617100000000 ] - [ -0.0022340700000000, 0.0023199000000000, -0.0001926700000000 ] - [ 0.0033792900000000, 0.0003058500000000, 0.0003374000000000 ] - [ -0.0219852800000000, 0.0044912100000000, 0.0063500300000000 ] - [ 0.0064580000000000, -0.0003619000000000, 0.0010002800000000 ] - [ -0.0032313500000000, -0.0023082600000000, 0.0015304200000000 ] - [ 0.0032909100000000, -0.0002188100000000, 0.0006059500000000 ] - [ -0.0301693200000000, -0.0111479800000000, -0.0099106600000000 ] - [ 0.0062232600000000, -0.0013556000000000, 0.0005592600000000 ] - [ -0.0025026900000000, 0.0014579100000000, -0.0029148700000000 ] - [ 0.0028798200000000, -0.0001814000000000, 0.0014723100000000 ] - [ -0.0035237700000000, 0.0008678000000000, -0.0000426700000000 ] - [ 0.0032523600000000, -0.0001898000000000, 0.0002148300000000 ] - [ -0.0028814400000000, -0.0015169500000000, -0.0021791200000000 ] - [ 0.0024981600000000, -0.0001546600000000, 0.0011008400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0186215900000000, -0.2527026500000000, -0.1392736800000000 ] - [ 0.0003545200000000, -0.0004516400000000, -0.0004040500000000 ] - [ -0.0006141500000000, -0.0016074300000000, 0.0005752300000000 ] - [ 0.0002202000000000, 0.0000712500000000, 0.0002980600000000 ] - [ 0.0006954400000000, -0.0014779700000000, 0.0005689700000000 ] - [ -0.0017354800000000, -0.0019919400000000, 0.0011420600000000 ] - [ -0.0037542700000000, -0.0019934600000000, 0.0020352100000000 ] - [ 0.0021007000000000, -0.0049896600000000, 0.0018625600000000 ] - [ 0.0014435800000000, 0.0007165500000000, 0.0007952600000000 ] - [ -0.0024756900000000, 0.0016544900000000, 0.0015181100000000 ] - [ 0.0015986100000000, -0.0006445200000000, -0.0006862500000000 ] - [ -0.0009669100000000, -0.0004998100000000, -0.0010202900000000 ] - [ -0.0001604400000000, 0.0368545500000000, -0.0014423700000000 ] - [ 0.0002103400000000, 0.0000042300000000, -0.0000699900000000 ] - [ -0.0008192100000000, 0.0004011500000000, 0.0006523200000000 ] - [ 0.0001456500000000, -0.0002489900000000, 0.0003781900000000 ] - [ -0.0176683000000000, 0.0027719600000000, 0.0102099400000000 ] - [ 0.0020700100000000, -0.0002643900000000, 0.0001695000000000 ] - [ -0.0011517800000000, -0.0008764000000000, -0.0002605800000000 ] - [ 0.0001940600000000, -0.0005257200000000, 0.0003614300000000 ] - [ 0.0040821300000000, 0.0030894700000000, 0.0154656200000000 ] - [ 0.0000776300000000, -0.0001463600000000, 0.0000414100000000 ] - [ 0.0017081000000000, -0.0023176700000000, -0.0028929900000000 ] - [ 0.0002907700000000, -0.0005452900000000, 0.0000112800000000 ] - [ 0.0079712800000000, -0.0008170600000000, 0.0007471300000000 ] - [ -0.0020910000000000, -0.0006153200000000, -0.0013618200000000 ] - [ 0.0008512900000000, -0.0007920100000000, 0.0014951400000000 ] - [ -0.0000599000000000, -0.0005261300000000, 0.0008272700000000 ] - [ 0.0005434500000000, 0.0021318200000000, 0.0008729500000000 ] - [ -0.0000751500000000, 0.0021278200000000, 0.0003826800000000 ] - [ 0.0006121700000000, 0.0014435200000000, 0.0009453300000000 ] - [ 0.0003194300000000, 0.0014422000000000, 0.0016837400000000 ] - [ -0.0006162400000000, 0.0034856400000000, -0.0005367100000000 ] - [ 0.0002136500000000, 0.0004808800000000, -0.0002778600000000 ] - [ -0.0005662300000000, 0.0049558200000000, -0.0024424500000000 ] - [ 0.0001693800000000, 0.0005399600000000, -0.0002756600000000 ] - [ 0.0000420600000000, 0.0005481900000000, -0.0054625400000000 ] - [ 0.0001239400000000, -0.0003287000000000, -0.0002189100000000 ] - [ -0.0057002400000000, 0.0083419700000000, 0.0109478700000000 ] - [ 0.0001755000000000, -0.0000679700000000, 0.0000650500000000 ] - [ -0.0016659100000000, 0.0006299100000000, -0.0003471500000000 ] - [ 0.0049635000000000, 0.0006136800000000, -0.0024178600000000 ] - [ 0.0002869100000000, -0.0007552100000000, 0.0006369500000000 ] - [ 0.0005472500000000, -0.0007534000000000, 0.0012007100000000 ] - [ -0.0018570900000000, 0.0028141000000000, -0.0009200100000000 ] - [ 0.0009933600000000, 0.0005468000000000, -0.0004591800000000 ] - [ -0.0020717200000000, 0.0014017400000000, 0.0009727300000000 ] - [ 0.0013921600000000, 0.0001716400000000, 0.0003291800000000 ] - [ -0.0005300000000000, 0.0004171800000000, -0.0007559000000000 ] - [ 0.0002017700000000, 0.0009145700000000, -0.0012161500000000 ] - [ -0.0002178100000000, 0.0004475500000000, -0.0000599100000000 ] - [ 0.0014017400000000, 0.0103718400000000, 0.0052107100000000 ] - [ 0.0008329700000000, 0.0105850400000000, -0.0020004400000000 ] - [ 0.0001159400000000, 0.0004376900000000, 0.0002475300000000 ] - [ 0.0002424700000000, 0.0017770200000000, 0.0021701700000000 ] - [ 0.0004967400000000, 0.0001762800000000, 0.0007281700000000 ] - [ -0.0038103100000000, 0.0011174300000000, -0.0033213300000000 ] - [ 0.0103702200000000, 0.0015120400000000, -0.0016316700000000 ] - [ -0.0013800400000000, 0.0025611800000000, -0.0015174300000000 ] - [ 0.0015641800000000, 0.0029727700000000, -0.0008672800000000 ] - [ -0.0296187100000000, 0.1638970100000000, 0.0859183000000000 ] - [ -0.0006006100000000, 0.0004078000000000, 0.0007642200000000 ] - [ 0.0015203500000000, 0.0014184900000000, 0.0009488000000000 ] - [ -0.0000350900000000, 0.0001182200000000, -0.0001961900000000 ] - [ 0.0006483000000000, -0.0075700100000000, 0.0054673200000000 ] - [ -0.0009552100000000, -0.0001040400000000, 0.0000795900000000 ] - [ 0.0016907200000000, -0.0077865800000000, -0.0027851000000000 ] - [ -0.0014153700000000, -0.0004387600000000, -0.0004216000000000 ] - [ 0.0027956500000000, -0.0024970700000000, 0.0002839200000000 ] - [ -0.0013107000000000, -0.0033179500000000, 0.0017931100000000 ] - [ 0.0018158100000000, -0.0005618600000000, -0.0007134800000000 ] - [ -0.0021320200000000, -0.0001092700000000, -0.0037373600000000 ] - [ -0.0081379900000000, -0.0036164700000000, 0.0051160500000000 ] - [ 0.0003488100000000, -0.0003915300000000, 0.0006017300000000 ] - [ -0.0016814400000000, -0.0041740700000000, -0.0036415500000000 ] - [ 0.0003524900000000, -0.0001953800000000, -0.0007151300000000 ] - [ 0.0016632100000000, 0.0162208300000000, 0.0038416400000000 ] - [ -0.0020623400000000, 0.0018098500000000, 0.0003525500000000 ] - [ -0.0000353100000000, 0.0063161600000000, -0.0010587000000000 ] - [ -0.0000124000000000, 0.0003610700000000, -0.0007833900000000 ] - [ 0.0137765200000000, 0.0212191600000000, 0.0121069500000000 ] - [ 0.0008591900000000, 0.0002763000000000, 0.0002270700000000 ] - [ -0.0010951600000000, 0.0030842300000000, -0.0004377100000000 ] - [ -0.0004360200000000, 0.0011103500000000, -0.0001588000000000 ] - [ 0.0065993600000000, -0.0133802300000000, 0.0053312100000000 ] - [ -0.0007692300000000, -0.0014092200000000, 0.0000227000000000 ] - [ 0.0008702000000000, -0.0038090700000000, -0.0012542200000000 ] - [ -0.0008998500000000, -0.0014682000000000, -0.0003599200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0152516400000000, 0.2453486200000000, 0.1336206500000000 ] - [ -0.0001869400000000, 0.0007515600000000, 0.0006191700000000 ] - [ 0.0008001600000000, 0.0019154400000000, -0.0003547600000000 ] - [ -0.0000513600000000, 0.0002281300000000, -0.0000849400000000 ] - [ -0.0008765000000000, 0.0017786000000000, -0.0007938600000000 ] - [ 0.0015545600000000, 0.0022947200000000, -0.0013580600000000 ] - [ 0.0035414800000000, 0.0022675000000000, -0.0022361700000000 ] - [ -0.0022754300000000, 0.0053305500000000, -0.0020824900000000 ] - [ -0.0016210900000000, -0.0010227800000000, -0.0010171100000000 ] - [ 0.0022990800000000, -0.0019584000000000, -0.0017358200000000 ] - [ -0.0017707400000000, 0.0003309000000000, 0.0004662400000000 ] - [ 0.0007763200000000, 0.0001860800000000, 0.0007931100000000 ] - [ 0.0003424900000000, -0.0364880200000000, 0.0016708200000000 ] - [ -0.0000428800000000, -0.0003059500000000, 0.0002876200000000 ] - [ 0.0010051600000000, -0.0007132000000000, -0.0004270200000000 ] - [ 0.0000237500000000, -0.0000502100000000, -0.0001621500000000 ] - [ 0.0176271000000000, -0.0028166600000000, -0.0101540300000000 ] - [ -0.0020810400000000, 0.0002629500000000, -0.0001716700000000 ] - [ 0.0011694000000000, 0.0008687700000000, 0.0002670200000000 ] - [ -0.0002069300000000, 0.0005209200000000, -0.0003559400000000 ] - [ -0.0041423600000000, -0.0031508800000000, -0.0159065700000000 ] - [ -0.0001550700000000, 0.0001472100000000, -0.0005600200000000 ] - [ -0.0017777500000000, 0.0022693500000000, 0.0024112500000000 ] - [ -0.0003688400000000, 0.0005440400000000, -0.0005308400000000 ] - [ -0.0078792300000000, 0.0007672000000000, -0.0002404600000000 ] - [ 0.0021586300000000, 0.0006151800000000, 0.0018793100000000 ] - [ -0.0007806500000000, 0.0007881700000000, -0.0009723700000000 ] - [ 0.0001245200000000, 0.0005262900000000, -0.0003194200000000 ] - [ -0.0003561000000000, -0.0018271400000000, -0.0006560600000000 ] - [ 0.0002331700000000, -0.0018316000000000, -0.0001624000000000 ] - [ -0.0004326600000000, -0.0011467000000000, -0.0007311100000000 ] - [ -0.0001467400000000, -0.0011480100000000, -0.0014762300000000 ] - [ 0.0004437300000000, -0.0031888700000000, 0.0003400100000000 ] - [ -0.0003988300000000, -0.0001802800000000, 0.0000599200000000 ] - [ 0.0004094500000000, -0.0046553100000000, 0.0022116400000000 ] - [ -0.0003545800000000, -0.0002415600000000, 0.0000577000000000 ] - [ -0.0002124200000000, -0.0008224900000000, 0.0052692400000000 ] - [ -0.0003107200000000, 0.0000269400000000, 0.0000002800000000 ] - [ 0.0055914800000000, -0.0086810100000000, -0.0112905500000000 ] - [ -0.0003645700000000, -0.0002307200000000, -0.0002811400000000 ] - [ 0.0018323300000000, -0.0008955700000000, 0.0005394200000000 ] - [ -0.0048172100000000, -0.0009101600000000, 0.0026534200000000 ] - [ -0.0001071600000000, 0.0004586300000000, -0.0004210000000000 ] - [ -0.0003745800000000, 0.0004608900000000, -0.0009928600000000 ] - [ 0.0018879100000000, -0.0028138200000000, 0.0009294700000000 ] - [ -0.0010145600000000, -0.0005484300000000, 0.0004641200000000 ] - [ 0.0020956500000000, -0.0014017200000000, -0.0009757700000000 ] - [ -0.0014074800000000, -0.0001720100000000, -0.0003338200000000 ] - [ 0.0004656600000000, -0.0004131300000000, 0.0002414800000000 ] - [ -0.0002730400000000, -0.0009139000000000, 0.0007121600000000 ] - [ 0.0001502700000000, -0.0004441300000000, -0.0004513100000000 ] - [ -0.0014602300000000, -0.0103916100000000, -0.0057383100000000 ] - [ -0.0007918900000000, -0.0106526300000000, 0.0025297800000000 ] - [ -0.0000524500000000, -0.0004334500000000, 0.0002632500000000 ] - [ -0.0001743000000000, -0.0017791900000000, -0.0016702700000000 ] - [ -0.0004359200000000, -0.0001750700000000, -0.0002211400000000 ] - [ 0.0032341000000000, -0.0011125500000000, 0.0029091600000000 ] - [ -0.0109948000000000, -0.0015212100000000, 0.0012086200000000 ] - [ 0.0007963300000000, -0.0025391600000000, 0.0010746900000000 ] - [ -0.0021819600000000, -0.0029614500000000, 0.0004444600000000 ] - [ 0.0280202900000000, -0.1560506900000000, -0.0790179300000000 ] - [ 0.0012031500000000, -0.0004054500000000, -0.0003338200000000 ] - [ -0.0009412100000000, -0.0014148700000000, -0.0005497500000000 ] - [ 0.0006411700000000, -0.0001200600000000, 0.0006334500000000 ] - [ -0.0012603400000000, 0.0075621900000000, -0.0059768900000000 ] - [ 0.0003761400000000, 0.0001013700000000, -0.0005111000000000 ] - [ -0.0023025300000000, 0.0077825300000000, 0.0023582200000000 ] - [ 0.0008316600000000, 0.0004363900000000, -0.0000108800000000 ] - [ -0.0022297600000000, 0.0024767400000000, 0.0001612400000000 ] - [ 0.0019222500000000, 0.0033242700000000, -0.0013792300000000 ] - [ -0.0012318100000000, 0.0005593900000000, 0.0011452900000000 ] - [ 0.0027398200000000, 0.0001131100000000, 0.0041891700000000 ] - [ 0.0080736400000000, 0.0045508300000000, -0.0050897400000000 ] - [ -0.0003378000000000, 0.0012998000000000, -0.0006001600000000 ] - [ 0.0016908000000000, 0.0051148500000000, 0.0036328400000000 ] - [ -0.0003469100000000, 0.0011001200000000, 0.0007214200000000 ] - [ -0.0016480800000000, -0.0170705000000000, -0.0038384900000000 ] - [ 0.0020798100000000, -0.0027280400000000, -0.0003517600000000 ] - [ 0.0000417300000000, -0.0072402300000000, 0.0010718100000000 ] - [ 0.0000125900000000, -0.0012661600000000, 0.0007840600000000 ] - [ -0.0146922800000000, -0.0209580100000000, -0.0127948200000000 ] - [ -0.0008417800000000, 0.0006145200000000, -0.0002244700000000 ] - [ 0.0010892700000000, -0.0021884300000000, 0.0004386000000000 ] - [ 0.0004387300000000, -0.0002251900000000, 0.0001604300000000 ] - [ -0.0065544600000000, 0.0124796100000000, -0.0052781500000000 ] - [ 0.0007746500000000, 0.0005052700000000, -0.0000176800000000 ] - [ -0.0008778900000000, 0.0029152200000000, 0.0012596200000000 ] - [ 0.0008970600000000, 0.0005817600000000, 0.0003603800000000 ]- atom: 1 displacement: [ -0.0020756950114625, 0.0000000000000000, 0.0097822027283935 ] forces: - [ 0.0510356900000000, -0.1388002600000000, -0.1528006800000000 ] - [ -0.0003619500000000, -0.0004202800000000, -0.0004637100000000 ] - [ -0.0009785500000000, 0.0007370100000000, 0.0040321500000000 ] - [ 0.0000050200000000, 0.0002953300000000, 0.0004761600000000 ] - [ 0.0022679300000000, -0.0003664000000000, -0.0003953100000000 ] - [ -0.0025947600000000, -0.0014281800000000, 0.0014798400000000 ] - [ -0.0065555100000000, -0.0027045700000000, 0.0036439000000000 ] - [ 0.0030948800000000, -0.0013442100000000, 0.0009168600000000 ] - [ 0.0020077600000000, 0.0004325600000000, -0.0006040500000000 ] - [ -0.0033877800000000, 0.0019524100000000, 0.0023241500000000 ] - [ -0.0006670300000000, -0.0010447900000000, 0.0001433400000000 ] - [ 0.0004035800000000, -0.0008374900000000, -0.0008269500000000 ] - [ 0.0022145300000000, 0.0012578600000000, -0.0071409400000000 ] - [ -0.0003322600000000, 0.0000655400000000, -0.0001970800000000 ] - [ -0.0008880100000000, -0.0008501500000000, 0.0034055000000000 ] - [ -0.0001262000000000, -0.0003864300000000, 0.0004967100000000 ] - [ -0.0221505600000000, 0.0132687300000000, 0.0078650500000000 ] - [ 0.0001160400000000, -0.0000918800000000, -0.0007009200000000 ] - [ 0.0007774700000000, -0.0010912700000000, 0.0023566900000000 ] - [ -0.0008680000000000, -0.0005698100000000, 0.0010023600000000 ] - [ 0.0083383900000000, 0.0175748000000000, 0.0218629800000000 ] - [ -0.0005625800000000, -0.0000830400000000, -0.0003241500000000 ] - [ -0.0027857100000000, -0.0061091100000000, 0.0069474100000000 ] - [ 0.0001106300000000, -0.0003175700000000, -0.0003370300000000 ] - [ -0.0000763400000000, -0.0022393000000000, -0.0055870000000000 ] - [ -0.0029359700000000, -0.0003826300000000, -0.0021120300000000 ] - [ 0.0007889400000000, -0.0002096200000000, 0.0044178600000000 ] - [ 0.0006195400000000, -0.0003141100000000, 0.0014492700000000 ] - [ -0.0000264300000000, 0.0004304600000000, -0.0005109800000000 ] - [ 0.0000338200000000, 0.0007915900000000, -0.0005001600000000 ] - [ 0.0012906100000000, 0.0016368900000000, 0.0015734500000000 ] - [ 0.0000241400000000, 0.0008507300000000, 0.0013103500000000 ] - [ -0.0004926500000000, 0.0004525200000000, -0.0006025700000000 ] - [ -0.0000888800000000, 0.0003632900000000, -0.0003476500000000 ] - [ 0.0002175000000000, 0.0022984600000000, -0.0004949100000000 ] - [ -0.0003059500000000, 0.0003531900000000, -0.0001278000000000 ] - [ -0.0007723900000000, -0.0054377100000000, 0.0041032000000000 ] - [ -0.0001108600000000, -0.0002862000000000, -0.0003373500000000 ] - [ -0.0025787500000000, 0.0118308900000000, 0.0098772400000000 ] - [ -0.0004468700000000, -0.0000223900000000, 0.0000984700000000 ] - [ -0.0021047200000000, 0.0033456900000000, -0.0034232900000000 ] - [ 0.0021696100000000, -0.0000649100000000, -0.0025283400000000 ] - [ 0.0009873000000000, -0.0011150900000000, 0.0015816300000000 ] - [ -0.0001454400000000, -0.0006141500000000, 0.0013455400000000 ] - [ 0.0018449500000000, -0.0001617500000000, -0.0017128100000000 ] - [ -0.0002118600000000, 0.0002447500000000, -0.0003069800000000 ] - [ -0.0022645900000000, 0.0010537500000000, 0.0018916700000000 ] - [ 0.0005650200000000, 0.0001026200000000, 0.0003364500000000 ] - [ -0.0000189300000000, 0.0003741900000000, -0.0013068000000000 ] - [ -0.0007345000000000, -0.0000995700000000, -0.0007554300000000 ] - [ -0.0002895700000000, 0.0004118600000000, 0.0004888100000000 ] - [ 0.0009347800000000, 0.0034474600000000, 0.0027927400000000 ] - [ -0.0007384600000000, 0.0009246900000000, -0.0037647300000000 ] - [ -0.0005045500000000, 0.0004189700000000, -0.0003377500000000 ] - [ 0.0005052200000000, 0.0008279500000000, 0.0037134100000000 ] - [ 0.0004121900000000, 0.0000661000000000, 0.0007586500000000 ] - [ -0.0031276000000000, -0.0002760900000000, 0.0032916700000000 ] - [ 0.0131413600000000, 0.0014927000000000, -0.0024924900000000 ] - [ 0.0004598100000000, 0.0028089900000000, -0.0041657000000000 ] - [ -0.0027927700000000, 0.0022337300000000, -0.0016718500000000 ] - [ -0.0266619700000000, 0.0852345700000000, 0.0906372200000000 ] - [ 0.0008826100000000, 0.0003246500000000, 0.0008633600000000 ] - [ 0.0001173700000000, 0.0007460400000000, -0.0086996600000000 ] - [ 0.0007198400000000, 0.0000276000000000, -0.0003638800000000 ] - [ -0.0013213800000000, 0.0039855600000000, 0.0046927500000000 ] - [ 0.0001092200000000, -0.0000489800000000, 0.0004635900000000 ] - [ 0.0009283400000000, -0.0058824700000000, -0.0053812400000000 ] - [ -0.0007321500000000, -0.0003000400000000, -0.0006485500000000 ] - [ -0.0013791000000000, -0.0020902000000000, 0.0028279500000000 ] - [ 0.0006695900000000, -0.0012062000000000, 0.0015975200000000 ] - [ 0.0019894700000000, -0.0003187000000000, -0.0021048100000000 ] - [ -0.0009345600000000, -0.0001197300000000, -0.0022332200000000 ] - [ -0.0000137900000000, 0.0029391900000000, 0.0031663300000000 ] - [ 0.0004549300000000, -0.0002512800000000, 0.0013001100000000 ] - [ -0.0030931900000000, -0.0048859600000000, -0.0052268700000000 ] - [ 0.0010343100000000, 0.0003113000000000, -0.0009887100000000 ] - [ -0.0093431200000000, 0.0071131300000000, 0.0181389100000000 ] - [ -0.0007353700000000, 0.0008375100000000, 0.0015056000000000 ] - [ -0.0042432400000000, 0.0040685200000000, -0.0094046000000000 ] - [ 0.0008561900000000, -0.0002218600000000, -0.0010585300000000 ] - [ 0.0046381600000000, 0.0092772800000000, 0.0155732800000000 ] - [ 0.0025194400000000, -0.0005894600000000, 0.0004273900000000 ] - [ 0.0025968100000000, 0.0022894700000000, -0.0043812000000000 ] - [ -0.0008108800000000, 0.0010534400000000, -0.0001571800000000 ] - [ -0.0001254200000000, -0.0029671300000000, 0.0031003300000000 ] - [ 0.0006718100000000, -0.0006149400000000, 0.0001572400000000 ] - [ 0.0006918500000000, -0.0023874500000000, -0.0027788900000000 ] - [ -0.0008255400000000, -0.0010005900000000, -0.0001303200000000 ]- atom: 1 displacement: [ 0.0020756950114625, 0.0000000000000000, -0.0097822027283935 ] forces: - [ -0.0509785200000000, 0.1351323600000000, 0.1517830500000000 ] - [ 0.0005425800000000, 0.0007142500000000, 0.0006762100000000 ] - [ 0.0011563400000000, -0.0004400800000000, -0.0038200200000000 ] - [ 0.0001718700000000, -0.0000000900000000, -0.0002613600000000 ] - [ -0.0024385100000000, 0.0006643900000000, 0.0001698200000000 ] - [ 0.0024104300000000, 0.0017294500000000, -0.0017012900000000 ] - [ 0.0064114600000000, 0.0030172800000000, -0.0038852200000000 ] - [ -0.0032697300000000, 0.0016358500000000, -0.0011243100000000 ] - [ -0.0021744600000000, -0.0007315400000000, 0.0003784200000000 ] - [ 0.0031989600000000, -0.0022471800000000, -0.0025371200000000 ] - [ 0.0004895500000000, 0.0007595700000000, -0.0003486700000000 ] - [ -0.0005787500000000, 0.0005474600000000, 0.0006178600000000 ] - [ -0.0020365300000000, -0.0017172600000000, 0.0073373300000000 ] - [ 0.0005099200000000, -0.0003630400000000, 0.0004120000000000 ] - [ 0.0010639300000000, 0.0005562800000000, -0.0031930200000000 ] - [ 0.0003021900000000, 0.0000943200000000, -0.0002837200000000 ] - [ 0.0219790200000000, -0.0131026600000000, -0.0078641600000000 ] - [ -0.0001239900000000, 0.0000936800000000, 0.0006952000000000 ] - [ -0.0007957900000000, 0.0010988500000000, -0.0023601500000000 ] - [ 0.0008777600000000, 0.0005732400000000, -0.0010050000000000 ] - [ -0.0082826400000000, -0.0173064300000000, -0.0221375700000000 ] - [ 0.0004838900000000, 0.0000848700000000, -0.0002109900000000 ] - [ 0.0027614800000000, 0.0061760200000000, -0.0075424100000000 ] - [ -0.0001865600000000, 0.0003175700000000, -0.0001981600000000 ] - [ 0.0000923100000000, 0.0022188700000000, 0.0061206700000000 ] - [ 0.0030017800000000, 0.0003799500000000, 0.0026380300000000 ] - [ -0.0007101800000000, 0.0002120500000000, -0.0038918300000000 ] - [ -0.0005522300000000, 0.0003134800000000, -0.0009136400000000 ] - [ 0.0002037800000000, -0.0001409400000000, 0.0007246400000000 ] - [ 0.0001510300000000, -0.0004910800000000, 0.0007105200000000 ] - [ -0.0010977000000000, -0.0013350400000000, -0.0013555400000000 ] - [ 0.0001504300000000, -0.0005526600000000, -0.0010874000000000 ] - [ 0.0003141700000000, -0.0001570900000000, 0.0003701900000000 ] - [ -0.0000925000000000, -0.0000669900000000, 0.0001304500000000 ] - [ -0.0004031100000000, -0.0020295800000000, 0.0002966800000000 ] - [ 0.0001279700000000, -0.0000635000000000, -0.0000878700000000 ] - [ 0.0005905900000000, 0.0050895200000000, -0.0042974600000000 ] - [ -0.0000703800000000, -0.0000144300000000, 0.0001193700000000 ] - [ 0.0024230600000000, -0.0122905100000000, -0.0102142400000000 ] - [ 0.0002690200000000, -0.0002688400000000, -0.0003125700000000 ] - [ 0.0022961700000000, -0.0036751000000000, 0.0036727800000000 ] - [ -0.0019918700000000, -0.0002296300000000, 0.0027480200000000 ] - [ -0.0007993900000000, 0.0008193000000000, -0.0013684100000000 ] - [ 0.0003182700000000, 0.0003214700000000, -0.0011276300000000 ] - [ -0.0018480400000000, 0.0001623200000000, 0.0017081900000000 ] - [ 0.0002047300000000, -0.0002442800000000, 0.0003042800000000 ] - [ 0.0022799300000000, -0.0010614600000000, -0.0018956100000000 ] - [ -0.0005663800000000, -0.0001035100000000, -0.0003370100000000 ] - [ -0.0000531600000000, -0.0003781600000000, 0.0007748700000000 ] - [ 0.0006606400000000, 0.0000979000000000, 0.0002161100000000 ] - [ 0.0002211400000000, -0.0004150400000000, -0.0010198600000000 ] - [ -0.0009921300000000, -0.0034072200000000, -0.0032832400000000 ] - [ 0.0008223700000000, -0.0009014100000000, 0.0042908100000000 ] - [ 0.0005805100000000, -0.0004202900000000, 0.0008739600000000 ] - [ -0.0004382700000000, -0.0008369100000000, -0.0031889200000000 ] - [ -0.0003331000000000, -0.0000668200000000, -0.0002222100000000 ] - [ 0.0025330700000000, 0.0002760400000000, -0.0036714000000000 ] - [ -0.0137473000000000, -0.0014879900000000, 0.0020724200000000 ] - [ -0.0010814100000000, -0.0028186000000000, 0.0037408300000000 ] - [ 0.0022060700000000, -0.0022333600000000, 0.0012342400000000 ] - [ 0.0266142000000000, -0.0810540000000000, -0.0886936500000000 ] - [ -0.0002830300000000, -0.0003261100000000, -0.0004481900000000 ] - [ 0.0005047900000000, -0.0007527100000000, 0.0091344000000000 ] - [ -0.0001215600000000, -0.0000273800000000, 0.0007787200000000 ] - [ 0.0007240500000000, -0.0039895300000000, -0.0050623000000000 ] - [ -0.0007127800000000, 0.0000490200000000, -0.0008856000000000 ] - [ -0.0015221100000000, 0.0059120400000000, 0.0049668800000000 ] - [ 0.0001218100000000, 0.0003007100000000, 0.0002296800000000 ] - [ 0.0019946700000000, 0.0021041500000000, -0.0024179600000000 ] - [ -0.0000759000000000, 0.0012077500000000, -0.0011702200000000 ] - [ -0.0013933800000000, 0.0003190500000000, 0.0025206200000000 ] - [ 0.0015267000000000, 0.0001262100000000, 0.0026228100000000 ] - [ 0.0000621200000000, -0.0020152900000000, -0.0032127000000000 ] - [ -0.0004677700000000, 0.0011775300000000, -0.0012962900000000 ] - [ 0.0030974000000000, 0.0058126200000000, 0.0052290500000000 ] - [ -0.0010417400000000, 0.0006177300000000, 0.0009867000000000 ] - [ 0.0102725400000000, -0.0082570400000000, -0.0184729600000000 ] - [ 0.0007227200000000, -0.0017729300000000, -0.0015076800000000 ] - [ 0.0042329700000000, -0.0049775400000000, 0.0093767000000000 ] - [ -0.0008684100000000, -0.0007102500000000, 0.0010503700000000 ] - [ -0.0047942200000000, -0.0085374400000000, -0.0155545800000000 ] - [ -0.0025388600000000, 0.0015237400000000, -0.0004308500000000 ] - [ -0.0025754100000000, -0.0013447900000000, 0.0043840500000000 ] - [ 0.0008036200000000, -0.0001328100000000, 0.0001543900000000 ] - [ 0.0000971700000000, 0.0020542800000000, -0.0031140300000000 ] - [ -0.0006724400000000, -0.0003161200000000, -0.0001561600000000 ] - [ -0.0006844600000000, 0.0014465500000000, 0.0027908700000000 ] - [ 0.0008135300000000, 0.0000749200000000, 0.0001289800000000 ]- atom: 17 displacement: [ 0.0099999891735141, 0.0000000000000000, 0.0000147149447937 ] forces: - [ 0.0186621000000000, -0.0175561800000000, -0.0185823900000000 ] - [ 0.0049551800000000, 0.0022285900000000, 0.0012717900000000 ] - [ -0.0038641500000000, -0.0010011500000000, 0.0000748000000000 ] - [ 0.0035484000000000, 0.0003557700000000, -0.0000444400000000 ] - [ 0.0047962300000000, -0.0019258200000000, 0.0010440600000000 ] - [ 0.0184047700000000, 0.0177050400000000, -0.0186339700000000 ] - [ 0.0033754900000000, -0.0000446400000000, -0.0002706500000000 ] - [ -0.0040211300000000, 0.0013229800000000, -0.0001374200000000 ] - [ 0.0047962300000000, 0.0019258200000000, 0.0010440600000000 ] - [ 0.0184047700000000, -0.0177050400000000, -0.0186339700000000 ] - [ 0.0033754900000000, 0.0000446400000000, -0.0002706500000000 ] - [ -0.0040211300000000, -0.0013229800000000, -0.0001374200000000 ] - [ 0.0186621000000000, 0.0175561800000000, -0.0185823900000000 ] - [ 0.0049551800000000, -0.0022285900000000, 0.0012717900000000 ] - [ -0.0038641500000000, 0.0010011500000000, 0.0000748000000000 ] - [ 0.0035484000000000, -0.0003557700000000, -0.0000444400000000 ] - [ -0.5552874300000000, 0.0000000000000000, 0.1239980900000000 ] - [ 0.0062954300000000, 0.0000000000000000, -0.0006798300000000 ] - [ -0.0043750000000000, 0.0000000000000000, -0.0010961600000000 ] - [ 0.0044186600000000, 0.0000000000000000, -0.0003991600000000 ] - [ 0.0372714800000000, 0.0000000000000000, 0.0205921600000000 ] - [ 0.0041983700000000, 0.0000000000000000, -0.0003635800000000 ] - [ -0.0003512700000000, 0.0000000000000000, -0.0031918600000000 ] - [ 0.0015259800000000, 0.0000000000000000, 0.0025675000000000 ] - [ 0.0042634900000000, 0.0000000000000000, 0.0001408400000000 ] - [ 0.0367673600000000, 0.0000000000000000, 0.0207979900000000 ] - [ 0.0015937800000000, 0.0000000000000000, 0.0030905000000000 ] - [ -0.0002838500000000, 0.0000000000000000, -0.0026752300000000 ] - [ 0.0027136500000000, 0.0011584800000000, 0.0004529000000000 ] - [ -0.0030084300000000, -0.0017202500000000, 0.0013443900000000 ] - [ 0.0026452800000000, 0.0015583300000000, 0.0012321800000000 ] - [ -0.0009418300000000, -0.0019257600000000, -0.0024223200000000 ] - [ -0.0032017900000000, 0.0020279100000000, 0.0011080400000000 ] - [ 0.0025410300000000, -0.0008426900000000, 0.0002238300000000 ] - [ -0.0011176900000000, 0.0022395100000000, -0.0026520800000000 ] - [ 0.0024681800000000, -0.0012422500000000, 0.0010035300000000 ] - [ -0.0032017900000000, -0.0020279100000000, 0.0011080400000000 ] - [ 0.0025410300000000, 0.0008426900000000, 0.0002238300000000 ] - [ -0.0011176900000000, -0.0022395100000000, -0.0026520800000000 ] - [ 0.0024681800000000, 0.0012422500000000, 0.0010035300000000 ] - [ 0.0027136500000000, -0.0011584800000000, 0.0004529000000000 ] - [ -0.0030084300000000, 0.0017202500000000, 0.0013443900000000 ] - [ 0.0026452800000000, -0.0015583300000000, 0.0012321800000000 ] - [ -0.0009418300000000, 0.0019257600000000, -0.0024223200000000 ] - [ 0.0009352100000000, 0.0000000000000000, 0.0001796900000000 ] - [ 0.0009406100000000, 0.0000000000000000, 0.0001751200000000 ] - [ 0.0003760300000000, 0.0000000000000000, -0.0003519200000000 ] - [ 0.0003774200000000, 0.0000000000000000, -0.0003533200000000 ] - [ 0.0018621600000000, 0.0000000000000000, 0.0009941500000000 ] - [ -0.0024613500000000, 0.0000000000000000, -0.0008364100000000 ] - [ 0.0016615200000000, 0.0000000000000000, 0.0013313900000000 ] - [ -0.0025050600000000, 0.0000000000000000, -0.0038557200000000 ] - [ -0.0023993200000000, 0.0000000000000000, -0.0003232500000000 ] - [ 0.0019295100000000, 0.0000000000000000, 0.0015061200000000 ] - [ -0.0024393100000000, 0.0000000000000000, -0.0033483600000000 ] - [ 0.0017271800000000, 0.0000000000000000, 0.0018394700000000 ] - [ -0.0104148500000000, 0.0000000000000000, -0.0004670900000000 ] - [ 0.1947057800000000, 0.0000000000000000, -0.0442609100000000 ] - [ -0.0046455700000000, 0.0000000000000000, -0.0011506500000000 ] - [ 0.0045511200000000, 0.0000000000000000, 0.0022603600000000 ] - [ 0.2096791800000000, 0.0000000000000000, -0.0481267400000000 ] - [ -0.0098065700000000, 0.0000000000000000, -0.0000496400000000 ] - [ 0.0051453100000000, 0.0000000000000000, 0.0027156800000000 ] - [ -0.0040560600000000, 0.0000000000000000, -0.0007167400000000 ] - [ 0.0015471300000000, 0.0000000000000000, -0.0001630100000000 ] - [ -0.0031634600000000, 0.0000000000000000, -0.0012523800000000 ] - [ 0.0011675000000000, 0.0000000000000000, 0.0036770700000000 ] - [ -0.0017957300000000, 0.0000000000000000, -0.0021827700000000 ] - [ -0.0025689000000000, 0.0000000000000000, -0.0008210900000000 ] - [ 0.0021233800000000, 0.0000000000000000, 0.0002799900000000 ] - [ -0.0011986000000000, 0.0000000000000000, -0.0017541500000000 ] - [ 0.0017518100000000, 0.0000000000000000, 0.0041027000000000 ] - [ -0.0080891100000000, -0.0017738700000000, 0.0040918900000000 ] - [ -0.0025676800000000, 0.0095556300000000, -0.0078911800000000 ] - [ -0.0025389300000000, -0.0086966600000000, -0.0079120000000000 ] - [ -0.0080994700000000, 0.0026599000000000, 0.0040918300000000 ] - [ -0.0080891100000000, 0.0017738700000000, 0.0040918900000000 ] - [ -0.0025676800000000, -0.0095556300000000, -0.0078911800000000 ] - [ -0.0025389300000000, 0.0086966600000000, -0.0079120000000000 ] - [ -0.0080994700000000, -0.0026599000000000, 0.0040918300000000 ] - [ 0.0125581100000000, 0.0053302000000000, 0.0046596300000000 ] - [ -0.0056321200000000, 0.0000644600000000, -0.0013323600000000 ] - [ 0.0125201100000000, -0.0044846600000000, 0.0047008800000000 ] - [ -0.0056377100000000, 0.0008227900000000, -0.0013353600000000 ] - [ 0.0125581100000000, -0.0053302000000000, 0.0046596300000000 ] - [ -0.0056321200000000, -0.0000644600000000, -0.0013323600000000 ] - [ 0.0125201100000000, 0.0044846600000000, 0.0047008800000000 ] - [ -0.0056377100000000, -0.0008227900000000, -0.0013353600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0158684400000000, 0.0029497100000000, 0.0101566700000000 ] - [ 0.0001065500000000, -0.0001078900000000, 0.0000201400000000 ] - [ -0.0005122600000000, -0.0007156700000000, -0.0011333500000000 ] - [ 0.0008839000000000, -0.0003705200000000, -0.0003055400000000 ] - [ -0.0001065500000000, -0.0001078900000000, -0.0000201400000000 ] - [ 0.0158684400000000, 0.0029497100000000, -0.0101566700000000 ] - [ -0.0008839000000000, -0.0003705200000000, 0.0003055400000000 ] - [ 0.0005122600000000, -0.0007156700000000, 0.0011333500000000 ] - [ -0.0000732900000000, -0.0004226300000000, -0.0002036400000000 ] - [ -0.0161627500000000, 0.0026384600000000, 0.0100048400000000 ] - [ 0.0007119700000000, -0.0006784100000000, -0.0005250400000000 ] - [ -0.0006970100000000, -0.0010313000000000, -0.0013624000000000 ] - [ 0.0161627500000000, 0.0026384600000000, -0.0100048400000000 ] - [ 0.0000732900000000, -0.0004226300000000, 0.0002036400000000 ] - [ 0.0006970100000000, -0.0010313000000000, 0.0013624000000000 ] - [ -0.0007119700000000, -0.0006784100000000, 0.0005250400000000 ] - [ 0.0000000000000000, -0.0398899400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000833300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008510800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003222000000000, 0.0000000000000000 ] - [ -0.0000856400000000, -0.0079240700000000, -0.0002754800000000 ] - [ -0.0000355400000000, -0.0014906000000000, -0.0002609300000000 ] - [ -0.0000302200000000, -0.0016258900000000, -0.0002523900000000 ] - [ -0.0000362900000000, -0.0005713000000000, -0.0002547000000000 ] - [ 0.0000355400000000, -0.0014906000000000, 0.0002609300000000 ] - [ 0.0000856400000000, -0.0079240700000000, 0.0002754800000000 ] - [ 0.0000362900000000, -0.0005713000000000, 0.0002547000000000 ] - [ 0.0000302200000000, -0.0016258900000000, 0.0002523900000000 ] - [ 0.0004253000000000, 0.0007001100000000, 0.0004322000000000 ] - [ -0.0016370800000000, 0.0029745800000000, -0.0004219000000000 ] - [ 0.0001293500000000, 0.0003228400000000, 0.0002230800000000 ] - [ -0.0003638200000000, 0.0015524900000000, 0.0010945800000000 ] - [ 0.0016370800000000, 0.0029745800000000, 0.0004219000000000 ] - [ -0.0004253000000000, 0.0007001100000000, -0.0004322000000000 ] - [ 0.0003638200000000, 0.0015524900000000, -0.0010945800000000 ] - [ -0.0001293500000000, 0.0003228400000000, -0.0002230800000000 ] - [ -0.0017862500000000, 0.0026533600000000, -0.0006332300000000 ] - [ 0.0002441600000000, 0.0003929200000000, 0.0002102100000000 ] - [ -0.0005310200000000, 0.0012490600000000, 0.0008771400000000 ] - [ -0.0000487400000000, 0.0000190900000000, 0.0000048200000000 ] - [ -0.0002441600000000, 0.0003929200000000, -0.0002102100000000 ] - [ 0.0017862500000000, 0.0026533600000000, 0.0006332300000000 ] - [ 0.0000487400000000, 0.0000190900000000, -0.0000048200000000 ] - [ 0.0005310200000000, 0.0012490600000000, -0.0008771400000000 ] - [ 0.0000101000000000, 0.0009195300000000, -0.0000021800000000 ] - [ -0.0000101000000000, 0.0009195300000000, 0.0000021800000000 ] - [ 0.0000052800000000, 0.0004427800000000, 0.0000008800000000 ] - [ -0.0000052800000000, 0.0004427800000000, -0.0000008800000000 ] - [ -0.0000329300000000, 0.0002746100000000, -0.0002546500000000 ] - [ -0.0000369400000000, 0.0025689000000000, -0.0002537300000000 ] - [ -0.0000321500000000, 0.0001829800000000, -0.0002532800000000 ] - [ -0.0000358700000000, 0.0019580600000000, -0.0002587600000000 ] - [ 0.0000369400000000, 0.0025689000000000, 0.0002537300000000 ] - [ 0.0000329300000000, 0.0002746100000000, 0.0002546500000000 ] - [ 0.0000358700000000, 0.0019580600000000, 0.0002587600000000 ] - [ 0.0000321500000000, 0.0001829800000000, 0.0002532800000000 ] - [ -0.0002831400000000, 0.0002734400000000, -0.0002205300000000 ] - [ 0.0001699200000000, 0.0278315200000000, -0.0003174500000000 ] - [ -0.0002932100000000, 0.0007973500000000, -0.0002168200000000 ] - [ -0.0002894900000000, 0.0023922000000000, -0.0002177000000000 ] - [ -0.0001699200000000, 0.0278315200000000, 0.0003174500000000 ] - [ 0.0002831400000000, 0.0002734400000000, 0.0002205300000000 ] - [ 0.0002894900000000, 0.0023922000000000, 0.0002177000000000 ] - [ 0.0002932100000000, 0.0007973500000000, 0.0002168200000000 ] - [ -0.0002987300000000, -0.0047004100000000, -0.0002121900000000 ] - [ -0.0002844300000000, -0.0007841200000000, -0.0002189200000000 ] - [ -0.0002950100000000, -0.0018704600000000, -0.0002182600000000 ] - [ -0.0002879000000000, -0.0003535600000000, -0.0002176200000000 ] - [ 0.0002844300000000, -0.0007841200000000, 0.0002189200000000 ] - [ 0.0002987300000000, -0.0047004100000000, 0.0002121900000000 ] - [ 0.0002879000000000, -0.0003535600000000, 0.0002176200000000 ] - [ 0.0002950100000000, -0.0018704600000000, 0.0002182600000000 ] - [ -0.0036987900000000, 0.0011026900000000, 0.0012717700000000 ] - [ 0.0017040200000000, 0.0012635000000000, 0.0008657600000000 ] - [ -0.0017040200000000, 0.0012635000000000, -0.0008657600000000 ] - [ 0.0036987900000000, 0.0011026900000000, -0.0012717700000000 ] - [ 0.0037030900000000, 0.0002120700000000, -0.0012806900000000 ] - [ -0.0016946300000000, 0.0003138100000000, -0.0008749500000000 ] - [ 0.0016946300000000, 0.0003138100000000, 0.0008749500000000 ] - [ -0.0037030900000000, 0.0002120700000000, 0.0012806900000000 ] - [ -0.0005846400000000, -0.0057235600000000, -0.0054058800000000 ] - [ 0.0001962900000000, 0.0002372500000000, 0.0000149800000000 ] - [ 0.0005846400000000, -0.0057235600000000, 0.0054058800000000 ] - [ -0.0001962900000000, 0.0002372500000000, -0.0000149800000000 ] - [ 0.0005580100000000, -0.0066368400000000, 0.0054601300000000 ] - [ -0.0001950000000000, -0.0006427900000000, -0.0000131900000000 ] - [ -0.0005580100000000, -0.0066368400000000, -0.0054601300000000 ] - [ 0.0001950000000000, -0.0006427900000000, 0.0000131900000000 ]- atom: 17 displacement: [ -0.0020756950114625, 0.0000000000000000, 0.0097822027283935 ] forces: - [ -0.0199571700000000, 0.0136962900000000, 0.0083736900000000 ] - [ -0.0002631800000000, -0.0001042200000000, -0.0006840400000000 ] - [ 0.0020150300000000, 0.0001357100000000, 0.0027181900000000 ] - [ -0.0017101800000000, 0.0004645500000000, 0.0009229800000000 ] - [ -0.0004443900000000, 0.0004241000000000, -0.0009149600000000 ] - [ -0.0203553100000000, -0.0135529000000000, 0.0081658300000000 ] - [ -0.0018734900000000, -0.0001544300000000, 0.0006932700000000 ] - [ 0.0018219400000000, 0.0001700600000000, 0.0024775800000000 ] - [ -0.0004443900000000, -0.0004241000000000, -0.0009149600000000 ] - [ -0.0203553100000000, 0.0135529000000000, 0.0081658300000000 ] - [ -0.0018734900000000, 0.0001544300000000, 0.0006932700000000 ] - [ 0.0018219400000000, -0.0001700600000000, 0.0024775800000000 ] - [ -0.0199571700000000, -0.0136962900000000, 0.0083736900000000 ] - [ -0.0002631800000000, 0.0001042200000000, -0.0006840400000000 ] - [ 0.0020150300000000, -0.0001357100000000, 0.0027181900000000 ] - [ -0.0017101800000000, -0.0004645500000000, 0.0009229800000000 ] - [ 0.2365741000000000, 0.0000000000000000, -0.1008656100000000 ] - [ -0.0019712300000000, 0.0000000000000000, -0.0004291600000000 ] - [ -0.0001666000000000, 0.0000000000000000, 0.0024172900000000 ] - [ -0.0013084000000000, 0.0000000000000000, 0.0007137600000000 ] - [ 0.0050514900000000, 0.0000000000000000, -0.0062084700000000 ] - [ -0.0023670300000000, 0.0000000000000000, -0.0019419000000000 ] - [ 0.0001416300000000, 0.0000000000000000, 0.0030278000000000 ] - [ 0.0002004400000000, 0.0000000000000000, 0.0002197000000000 ] - [ -0.0022947400000000, 0.0000000000000000, -0.0014189200000000 ] - [ 0.0052722700000000, 0.0000000000000000, -0.0056332000000000 ] - [ 0.0002722500000000, 0.0000000000000000, 0.0007199600000000 ] - [ 0.0001978800000000, 0.0000000000000000, 0.0035305100000000 ] - [ -0.0010943100000000, -0.0005044100000000, -0.0003967100000000 ] - [ 0.0019594800000000, -0.0003618500000000, -0.0015889500000000 ] - [ -0.0002769500000000, 0.0001861300000000, 0.0002517000000000 ] - [ -0.0001226300000000, 0.0015400300000000, 0.0024451600000000 ] - [ 0.0017940500000000, 0.0006703500000000, -0.0018188100000000 ] - [ -0.0012732000000000, 0.0008181100000000, -0.0006289700000000 ] - [ -0.0002895500000000, -0.0012301900000000, 0.0022162900000000 ] - [ -0.0004489700000000, 0.0001189800000000, 0.0000269700000000 ] - [ 0.0017940500000000, -0.0006703500000000, -0.0018188100000000 ] - [ -0.0012732000000000, -0.0008181100000000, -0.0006289700000000 ] - [ -0.0002895500000000, 0.0012301900000000, 0.0022162900000000 ] - [ -0.0004489700000000, -0.0001189800000000, 0.0000269700000000 ] - [ -0.0010943100000000, 0.0005044100000000, -0.0003967100000000 ] - [ 0.0019594800000000, 0.0003618500000000, -0.0015889500000000 ] - [ -0.0002769500000000, -0.0001861300000000, 0.0002517000000000 ] - [ -0.0001226300000000, -0.0015400300000000, 0.0024451600000000 ] - [ -0.0000157200000000, 0.0000000000000000, -0.0009012600000000 ] - [ -0.0000248300000000, 0.0000000000000000, -0.0009037500000000 ] - [ -0.0004168200000000, 0.0000000000000000, 0.0007943800000000 ] - [ -0.0004302500000000, 0.0000000000000000, 0.0007961300000000 ] - [ -0.0008380600000000, 0.0000000000000000, -0.0011404700000000 ] - [ 0.0004653100000000, 0.0000000000000000, -0.0017134500000000 ] - [ -0.0003506700000000, 0.0000000000000000, -0.0002038600000000 ] - [ 0.0012248100000000, 0.0000000000000000, 0.0027932900000000 ] - [ 0.0005324600000000, 0.0000000000000000, -0.0011999300000000 ] - [ -0.0007732300000000, 0.0000000000000000, -0.0006361500000000 ] - [ 0.0012944400000000, 0.0000000000000000, 0.0033030900000000 ] - [ -0.0002900300000000, 0.0000000000000000, 0.0002993900000000 ] - [ 0.0017354600000000, 0.0000000000000000, 0.0021269200000000 ] - [ -0.0869293100000000, 0.0000000000000000, 0.0463204100000000 ] - [ 0.0006824600000000, 0.0000000000000000, -0.0015736500000000 ] - [ -0.0010220900000000, 0.0000000000000000, -0.0060578000000000 ] - [ -0.0837693300000000, 0.0000000000000000, 0.0470678200000000 ] - [ 0.0023051400000000, 0.0000000000000000, 0.0025725900000000 ] - [ -0.0004463300000000, 0.0000000000000000, -0.0056368500000000 ] - [ 0.0012738200000000, 0.0000000000000000, -0.0011481200000000 ] - [ -0.0012791800000000, 0.0000000000000000, 0.0032160900000000 ] - [ 0.0007949800000000, 0.0000000000000000, 0.0009576700000000 ] - [ -0.0006159600000000, 0.0000000000000000, -0.0039620800000000 ] - [ 0.0002271100000000, 0.0000000000000000, -0.0005396400000000 ] - [ 0.0013758100000000, 0.0000000000000000, 0.0013871800000000 ] - [ -0.0006907300000000, 0.0000000000000000, 0.0036607900000000 ] - [ 0.0008077000000000, 0.0000000000000000, -0.0001040500000000 ] - [ -0.0000195400000000, 0.0000000000000000, -0.0035335300000000 ] - [ 0.0061258500000000, 0.0011051600000000, -0.0030204500000000 ] - [ -0.0016238400000000, 0.0004403800000000, 0.0010834200000000 ] - [ -0.0016222300000000, 0.0005032500000000, 0.0011096000000000 ] - [ 0.0061369400000000, -0.0002073300000000, -0.0030160800000000 ] - [ 0.0061258500000000, -0.0011051600000000, -0.0030204500000000 ] - [ -0.0016238400000000, -0.0004403800000000, 0.0010834200000000 ] - [ -0.0016222300000000, -0.0005032500000000, 0.0011096000000000 ] - [ 0.0061369400000000, 0.0002073300000000, -0.0030160800000000 ] - [ -0.0045112200000000, -0.0069990600000000, -0.0045979200000000 ] - [ 0.0016606500000000, 0.0002262600000000, 0.0003515700000000 ] - [ -0.0045170700000000, 0.0079319400000000, -0.0046060000000000 ] - [ 0.0016650000000000, 0.0006636800000000, 0.0003501700000000 ] - [ -0.0045112200000000, 0.0069990600000000, -0.0045979200000000 ] - [ 0.0016606500000000, -0.0002262600000000, 0.0003515700000000 ] - [ -0.0045170700000000, -0.0079319400000000, -0.0046060000000000 ] - [ 0.0016650000000000, -0.0006636800000000, 0.0003501700000000 ]- atom: 21 displacement: [ 0.0099999891735141, 0.0000000000000000, 0.0000147149447937 ] forces: - [ -0.0057480400000000, 0.0043250600000000, 0.0074286600000000 ] - [ 0.0020881100000000, 0.0002766800000000, -0.0000094400000000 ] - [ -0.0021711200000000, 0.0019041700000000, -0.0031930600000000 ] - [ 0.0020190500000000, 0.0004875500000000, 0.0006629400000000 ] - [ 0.0122333700000000, -0.0078473700000000, 0.0024243000000000 ] - [ 0.0033349300000000, 0.0022846300000000, -0.0024077100000000 ] - [ -0.0003663000000000, -0.0006564100000000, 0.0006058200000000 ] - [ 0.0006534300000000, 0.0002544900000000, 0.0006498700000000 ] - [ 0.0122333700000000, 0.0078473700000000, 0.0024243000000000 ] - [ 0.0033349300000000, -0.0022846300000000, -0.0024077100000000 ] - [ -0.0003663000000000, 0.0006564100000000, 0.0006058200000000 ] - [ 0.0006534300000000, -0.0002544900000000, 0.0006498700000000 ] - [ -0.0057480400000000, -0.0043250600000000, 0.0074286600000000 ] - [ 0.0020881100000000, -0.0002766800000000, -0.0000094400000000 ] - [ -0.0021711200000000, -0.0019041700000000, -0.0031930600000000 ] - [ 0.0020190500000000, -0.0004875500000000, 0.0006629400000000 ] - [ 0.0367119200000000, 0.0000000000000000, 0.0129554800000000 ] - [ 0.0042381400000000, 0.0000000000000000, -0.0014903900000000 ] - [ -0.0003204200000000, 0.0000000000000000, 0.0001087200000000 ] - [ 0.0015564400000000, 0.0000000000000000, 0.0005737800000000 ] - [ -0.1376060800000000, 0.0000000000000000, -0.1281354000000000 ] - [ 0.0018618100000000, 0.0000000000000000, 0.0002198700000000 ] - [ -0.0020707100000000, 0.0000000000000000, -0.0011191600000000 ] - [ 0.0012509900000000, 0.0000000000000000, 0.0011089000000000 ] - [ 0.0044948300000000, 0.0000000000000000, -0.0120017300000000 ] - [ 0.0059785800000000, 0.0000000000000000, 0.0034505400000000 ] - [ 0.0005570000000000, 0.0000000000000000, 0.0067783100000000 ] - [ 0.0010092900000000, 0.0000000000000000, 0.0007366100000000 ] - [ -0.0003492000000000, 0.0004000300000000, -0.0007029600000000 ] - [ 0.0009808600000000, -0.0003322800000000, 0.0003087500000000 ] - [ 0.0017162800000000, 0.0015781300000000, 0.0014299600000000 ] - [ 0.0008122800000000, -0.0000276900000000, -0.0000044300000000 ] - [ -0.0031527300000000, -0.0006458100000000, -0.0015619700000000 ] - [ 0.0016995400000000, 0.0000833500000000, -0.0002821900000000 ] - [ -0.0017689200000000, -0.0000509900000000, 0.0000287000000000 ] - [ 0.0011498000000000, -0.0003106900000000, 0.0005450700000000 ] - [ -0.0031527300000000, 0.0006458100000000, -0.0015619700000000 ] - [ 0.0016995400000000, -0.0000833500000000, -0.0002821900000000 ] - [ -0.0017689200000000, 0.0000509900000000, 0.0000287000000000 ] - [ 0.0011498000000000, 0.0003106900000000, 0.0005450700000000 ] - [ -0.0003492000000000, -0.0004000300000000, -0.0007029600000000 ] - [ 0.0009808600000000, 0.0003322800000000, 0.0003087500000000 ] - [ 0.0017162800000000, -0.0015781300000000, 0.0014299600000000 ] - [ 0.0008122800000000, 0.0000276900000000, -0.0000044300000000 ] - [ -0.0024319900000000, 0.0000000000000000, -0.0000061000000000 ] - [ 0.0018900700000000, 0.0000000000000000, -0.0004236200000000 ] - [ -0.0024740800000000, 0.0000000000000000, 0.0007659300000000 ] - [ 0.0016930000000000, 0.0000000000000000, 0.0000318500000000 ] - [ 0.0000274000000000, 0.0000000000000000, -0.0010535400000000 ] - [ 0.0000307800000000, 0.0000000000000000, -0.0002792000000000 ] - [ 0.0002225400000000, 0.0000000000000000, 0.0007002600000000 ] - [ 0.0002268000000000, 0.0000000000000000, 0.0004652300000000 ] - [ -0.0006145300000000, 0.0000000000000000, -0.0003851200000000 ] - [ 0.0007733300000000, 0.0000000000000000, 0.0005013200000000 ] - [ -0.0006206000000000, 0.0000000000000000, -0.0004774500000000 ] - [ 0.0015250100000000, 0.0000000000000000, 0.0023406100000000 ] - [ -0.0143700400000000, 0.0000000000000000, 0.0065180000000000 ] - [ -0.0173503000000000, 0.0000000000000000, 0.0056712900000000 ] - [ -0.0016684900000000, 0.0000000000000000, -0.0028514600000000 ] - [ -0.0010040200000000, 0.0000000000000000, -0.0014113100000000 ] - [ 0.0809001800000000, 0.0000000000000000, 0.0856807900000000 ] - [ -0.0044868300000000, 0.0000000000000000, 0.0005679900000000 ] - [ 0.0022392000000000, 0.0000000000000000, 0.0023601200000000 ] - [ -0.0020671500000000, 0.0000000000000000, -0.0012688000000000 ] - [ 0.0023776900000000, 0.0000000000000000, -0.0001851100000000 ] - [ -0.0024541300000000, 0.0000000000000000, 0.0001468100000000 ] - [ 0.0021734900000000, 0.0000000000000000, -0.0001751300000000 ] - [ -0.0024392700000000, 0.0000000000000000, -0.0019141200000000 ] - [ 0.0018167100000000, 0.0000000000000000, 0.0012611500000000 ] - [ -0.0011961200000000, 0.0000000000000000, 0.0007237800000000 ] - [ 0.0020517300000000, 0.0000000000000000, -0.0021920200000000 ] - [ -0.0011145400000000, 0.0000000000000000, 0.0000152300000000 ] - [ 0.0063606700000000, -0.0018070000000000, 0.0021149100000000 ] - [ -0.0031048200000000, 0.0018194200000000, -0.0017985600000000 ] - [ 0.0127676600000000, 0.0053862000000000, 0.0066618700000000 ] - [ -0.0036699100000000, 0.0008945700000000, 0.0002007000000000 ] - [ 0.0063606700000000, 0.0018070000000000, 0.0021149100000000 ] - [ -0.0031048200000000, -0.0018194200000000, -0.0017985600000000 ] - [ 0.0127676600000000, -0.0053862000000000, 0.0066618700000000 ] - [ -0.0036699100000000, -0.0008945700000000, 0.0002007000000000 ] - [ -0.0005084300000000, -0.0022933400000000, -0.0021088200000000 ] - [ -0.0015651400000000, 0.0006319200000000, -0.0002705300000000 ] - [ -0.0000186600000000, -0.0023879900000000, 0.0019250600000000 ] - [ -0.0040515100000000, 0.0029162500000000, -0.0018034200000000 ] - [ -0.0005084300000000, 0.0022933400000000, -0.0021088200000000 ] - [ -0.0015651400000000, -0.0006319200000000, -0.0002705300000000 ] - [ -0.0000186600000000, 0.0023879900000000, 0.0019250600000000 ] - [ -0.0040515100000000, -0.0029162500000000, -0.0018034200000000 ]- atom: 21 displacement: [ -0.0099999891735141, 0.0000000000000000, -0.0000147149447937 ] forces: - [ 0.0059973800000000, -0.0039660500000000, -0.0071179000000000 ] - [ -0.0019208700000000, 0.0000312100000000, 0.0002356200000000 ] - [ 0.0023588900000000, -0.0015878100000000, 0.0034384400000000 ] - [ -0.0018514200000000, -0.0001796100000000, -0.0004319800000000 ] - [ -0.0121988200000000, 0.0079970800000000, -0.0025975600000000 ] - [ -0.0035207200000000, -0.0019872600000000, 0.0021949300000000 ] - [ 0.0001937200000000, 0.0009651400000000, -0.0008394500000000 ] - [ -0.0008174100000000, 0.0000580600000000, -0.0008852200000000 ] - [ -0.0121988200000000, -0.0079970800000000, -0.0025975600000000 ] - [ -0.0035207200000000, 0.0019872600000000, 0.0021949300000000 ] - [ 0.0001937200000000, -0.0009651400000000, -0.0008394500000000 ] - [ -0.0008174100000000, -0.0000580600000000, -0.0008852200000000 ] - [ 0.0059973800000000, 0.0039660500000000, -0.0071179000000000 ] - [ -0.0019208700000000, -0.0000312100000000, 0.0002356200000000 ] - [ 0.0023588900000000, 0.0015878100000000, 0.0034384400000000 ] - [ -0.0018514200000000, 0.0001796100000000, -0.0004319800000000 ] - [ -0.0373532800000000, 0.0000000000000000, -0.0132972400000000 ] - [ -0.0042320400000000, 0.0000000000000000, 0.0014815800000000 ] - [ 0.0003281700000000, 0.0000000000000000, -0.0001084900000000 ] - [ -0.0015664600000000, 0.0000000000000000, -0.0005718800000000 ] - [ 0.1384786700000000, 0.0000000000000000, 0.1312294800000000 ] - [ -0.0019472500000000, 0.0000000000000000, -0.0007387700000000 ] - [ 0.0019906800000000, 0.0000000000000000, 0.0006085000000000 ] - [ -0.0013350800000000, 0.0000000000000000, -0.0016266100000000 ] - [ -0.0043547900000000, 0.0000000000000000, 0.0123407200000000 ] - [ -0.0059437700000000, 0.0000000000000000, -0.0029543500000000 ] - [ -0.0004882300000000, 0.0000000000000000, -0.0062287600000000 ] - [ -0.0009289200000000, 0.0000000000000000, -0.0002118500000000 ] - [ 0.0005157100000000, -0.0000863200000000, 0.0009288500000000 ] - [ -0.0008049200000000, 0.0006521300000000, -0.0000803200000000 ] - [ -0.0015824900000000, -0.0013089900000000, -0.0012243000000000 ] - [ -0.0006387500000000, 0.0003335100000000, 0.0002332700000000 ] - [ 0.0029952000000000, 0.0009588500000000, 0.0013240500000000 ] - [ -0.0018724200000000, 0.0002374700000000, 0.0000461600000000 ] - [ 0.0015962500000000, 0.0003594900000000, -0.0002556700000000 ] - [ -0.0013270300000000, 0.0006177800000000, -0.0007736500000000 ] - [ 0.0029952000000000, -0.0009588500000000, 0.0013240500000000 ] - [ -0.0018724200000000, -0.0002374700000000, 0.0000461600000000 ] - [ 0.0015962500000000, -0.0003594900000000, -0.0002556700000000 ] - [ -0.0013270300000000, -0.0006177800000000, -0.0007736500000000 ] - [ 0.0005157100000000, 0.0000863200000000, 0.0009288500000000 ] - [ -0.0008049200000000, -0.0006521300000000, -0.0000803200000000 ] - [ -0.0015824900000000, 0.0013089900000000, -0.0012243000000000 ] - [ -0.0006387500000000, -0.0003335100000000, 0.0002332700000000 ] - [ 0.0024270500000000, 0.0000000000000000, 0.0000073800000000 ] - [ -0.0018977000000000, 0.0000000000000000, 0.0004237600000000 ] - [ 0.0024818100000000, 0.0000000000000000, -0.0007662100000000 ] - [ -0.0016971500000000, 0.0000000000000000, -0.0000335100000000 ] - [ -0.0001061200000000, 0.0000000000000000, 0.0005408300000000 ] - [ -0.0001030100000000, 0.0000000000000000, -0.0002322700000000 ] - [ -0.0003017800000000, 0.0000000000000000, -0.0012221600000000 ] - [ -0.0002974600000000, 0.0000000000000000, -0.0009651500000000 ] - [ 0.0006989300000000, 0.0000000000000000, 0.0008997500000000 ] - [ -0.0006944200000000, 0.0000000000000000, 0.0000152100000000 ] - [ 0.0007042500000000, 0.0000000000000000, 0.0009990600000000 ] - [ -0.0014503200000000, 0.0000000000000000, -0.0018148200000000 ] - [ 0.0136656800000000, 0.0000000000000000, -0.0068800500000000 ] - [ 0.0168509400000000, 0.0000000000000000, -0.0061423400000000 ] - [ 0.0010868100000000, 0.0000000000000000, 0.0024308500000000 ] - [ 0.0004073000000000, 0.0000000000000000, 0.0009761200000000 ] - [ -0.0810029000000000, 0.0000000000000000, -0.0885908200000000 ] - [ 0.0050602200000000, 0.0000000000000000, -0.0001355000000000 ] - [ -0.0016622700000000, 0.0000000000000000, -0.0019250500000000 ] - [ 0.0026595800000000, 0.0000000000000000, 0.0016906000000000 ] - [ -0.0029539000000000, 0.0000000000000000, -0.0002489600000000 ] - [ 0.0018763500000000, 0.0000000000000000, -0.0005730500000000 ] - [ -0.0027587200000000, 0.0000000000000000, -0.0002602200000000 ] - [ 0.0018484500000000, 0.0000000000000000, 0.0014836400000000 ] - [ -0.0012218500000000, 0.0000000000000000, -0.0008232600000000 ] - [ 0.0017651900000000, 0.0000000000000000, -0.0002954500000000 ] - [ -0.0014762200000000, 0.0000000000000000, 0.0026393800000000 ] - [ 0.0016948500000000, 0.0000000000000000, 0.0004010600000000 ] - [ -0.0063083200000000, 0.0027100400000000, -0.0021186000000000 ] - [ 0.0030979500000000, -0.0009116500000000, 0.0018052400000000 ] - [ -0.0128004000000000, -0.0044621200000000, -0.0066687000000000 ] - [ 0.0036664900000000, 0.0000207600000000, -0.0002078200000000 ] - [ -0.0063083200000000, -0.0027100400000000, -0.0021186000000000 ] - [ 0.0030979500000000, 0.0009116500000000, 0.0018052400000000 ] - [ -0.0128004000000000, 0.0044621200000000, -0.0066687000000000 ] - [ 0.0036664900000000, -0.0000207600000000, -0.0002078200000000 ] - [ 0.0004740300000000, 0.0031972100000000, 0.0021080500000000 ] - [ 0.0015709700000000, 0.0002934600000000, 0.0002795300000000 ] - [ -0.0000002800000000, 0.0033252200000000, -0.0019355400000000 ] - [ 0.0040516100000000, -0.0019855500000000, 0.0017819900000000 ] - [ 0.0004740300000000, -0.0031972100000000, 0.0021080500000000 ] - [ 0.0015709700000000, -0.0002934600000000, 0.0002795300000000 ] - [ -0.0000002800000000, -0.0033252200000000, -0.0019355400000000 ] - [ 0.0040516100000000, 0.0019855500000000, 0.0017819900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047388000000000, 0.0033173600000000, 0.0189178300000000 ] - [ 0.0001608400000000, 0.0000079600000000, 0.0000365900000000 ] - [ 0.0051242800000000, -0.0021225300000000, -0.0050867900000000 ] - [ -0.0003472800000000, -0.0003864800000000, -0.0003062600000000 ] - [ -0.0109965000000000, -0.0006115900000000, -0.0001681900000000 ] - [ 0.0003126500000000, -0.0004450100000000, 0.0003507000000000 ] - [ -0.0006301500000000, -0.0006332700000000, 0.0000039200000000 ] - [ 0.0003833800000000, -0.0003684700000000, 0.0003167900000000 ] - [ 0.0108755000000000, -0.0009740600000000, -0.0000838700000000 ] - [ -0.0004708000000000, -0.0007841000000000, -0.0005937700000000 ] - [ 0.0004494600000000, -0.0009428500000000, -0.0001936300000000 ] - [ -0.0005576000000000, -0.0006805800000000, -0.0005223000000000 ] - [ -0.0045702000000000, 0.0029200500000000, -0.0187124100000000 ] - [ 0.0000205700000000, -0.0003054100000000, 0.0001796900000000 ] - [ -0.0049986200000000, -0.0024663400000000, 0.0053235500000000 ] - [ 0.0005250700000000, -0.0006991800000000, 0.0005236200000000 ] - [ 0.0001540700000000, -0.0079243600000000, 0.0000345300000000 ] - [ -0.0000008600000000, -0.0014907300000000, -0.0000077200000000 ] - [ -0.0000098400000000, -0.0016265200000000, 0.0000069800000000 ] - [ 0.0000072200000000, -0.0005711300000000, 0.0000018400000000 ] - [ -0.0009246700000000, -0.1120363500000000, -0.0021021400000000 ] - [ -0.0000497600000000, -0.0002859500000000, -0.0002848300000000 ] - [ -0.0000508400000000, -0.0026565200000000, -0.0002702600000000 ] - [ -0.0000501400000000, -0.0003231600000000, -0.0002809200000000 ] - [ 0.0000019400000000, -0.0046833000000000, 0.0003261300000000 ] - [ 0.0000708400000000, -0.0000853600000000, 0.0002934500000000 ] - [ 0.0000580700000000, -0.0089319300000000, 0.0003014100000000 ] - [ 0.0000482700000000, -0.0003841000000000, 0.0002854600000000 ] - [ 0.0004784900000000, 0.0010642800000000, 0.0000859300000000 ] - [ -0.0005385600000000, 0.0005687100000000, 0.0003547700000000 ] - [ 0.0087528600000000, 0.0105760400000000, 0.0054604000000000 ] - [ -0.0004428200000000, 0.0005982500000000, 0.0004185600000000 ] - [ -0.0035980300000000, 0.0108125300000000, -0.0017918400000000 ] - [ 0.0004881400000000, 0.0005880100000000, -0.0004167700000000 ] - [ 0.0003036200000000, 0.0019201000000000, -0.0008631600000000 ] - [ -0.0000076300000000, 0.0003231900000000, -0.0001549600000000 ] - [ 0.0033683000000000, 0.0104225500000000, 0.0015510700000000 ] - [ -0.0006595600000000, 0.0002788700000000, 0.0001993300000000 ] - [ -0.0004831700000000, 0.0016339000000000, 0.0006733300000000 ] - [ -0.0001619100000000, 0.0000262600000000, -0.0000515600000000 ] - [ -0.0003044100000000, 0.0007600700000000, 0.0001249500000000 ] - [ 0.0007157100000000, 0.0002624300000000, -0.0001456600000000 ] - [ -0.0084822900000000, 0.0101906100000000, -0.0052069600000000 ] - [ 0.0006086900000000, 0.0002955900000000, -0.0002044800000000 ] - [ 0.0000130600000000, 0.0025693000000000, -0.0000105500000000 ] - [ -0.0000060800000000, 0.0002748200000000, -0.0000027200000000 ] - [ -0.0000088400000000, 0.0019577300000000, 0.0000119700000000 ] - [ -0.0000024300000000, 0.0001829400000000, 0.0000005600000000 ] - [ -0.0000460600000000, 0.0017427700000000, -0.0002915800000000 ] - [ -0.0000552700000000, 0.0017424000000000, -0.0002868200000000 ] - [ -0.0000432800000000, 0.0017106400000000, -0.0002664000000000 ] - [ -0.0000480000000000, 0.0017106800000000, -0.0002745800000000 ] - [ 0.0000495000000000, 0.0033559000000000, 0.0002710000000000 ] - [ 0.0000494600000000, 0.0003423700000000, 0.0002838000000000 ] - [ 0.0000457400000000, 0.0018710600000000, 0.0002899200000000 ] - [ 0.0000632300000000, 0.0021686700000000, 0.0002920100000000 ] - [ -0.0002207400000000, 0.0115564200000000, -0.0001741800000000 ] - [ -0.0003764200000000, 0.0004154500000000, -0.0001748700000000 ] - [ -0.0003131700000000, 0.0016256100000000, -0.0002395100000000 ] - [ -0.0002960600000000, 0.0010027500000000, -0.0002181100000000 ] - [ 0.0005342100000000, 0.0380734500000000, 0.0005951200000000 ] - [ 0.0002887100000000, 0.0002066800000000, 0.0002091900000000 ] - [ 0.0003098900000000, 0.0086835200000000, 0.0001895700000000 ] - [ 0.0002933900000000, 0.0010150600000000, 0.0002045300000000 ] - [ -0.0002987100000000, -0.0121690300000000, -0.0001617900000000 ] - [ -0.0003019300000000, -0.0007850800000000, -0.0002095100000000 ] - [ -0.0002820000000000, -0.0026518700000000, -0.0002253700000000 ] - [ -0.0003092400000000, -0.0002629800000000, -0.0002146700000000 ] - [ 0.0002898500000000, -0.0020488400000000, 0.0002216600000000 ] - [ 0.0002977800000000, -0.0009350700000000, 0.0002207600000000 ] - [ 0.0003077400000000, -0.0099762000000000, 0.0001777800000000 ] - [ 0.0002982500000000, -0.0007411800000000, 0.0001994600000000 ] - [ -0.0041642800000000, 0.0010930400000000, 0.0021035800000000 ] - [ 0.0002889400000000, 0.0007080500000000, -0.0000132000000000 ] - [ -0.0012037200000000, 0.0301655300000000, 0.0150216400000000 ] - [ -0.0000392200000000, 0.0007609500000000, 0.0000180400000000 ] - [ 0.0042202800000000, 0.0000935400000000, -0.0021504000000000 ] - [ -0.0003170900000000, -0.0002602200000000, -0.0000035600000000 ] - [ 0.0016696300000000, 0.0279651200000000, -0.0136876200000000 ] - [ 0.0000092800000000, -0.0001994800000000, -0.0000157900000000 ] - [ -0.0033699900000000, -0.0031913200000000, -0.0022470700000000 ] - [ 0.0004842500000000, 0.0002065500000000, 0.0002334000000000 ] - [ -0.0045924200000000, -0.0019485700000000, 0.0007046000000000 ] - [ 0.0038727400000000, -0.0017560100000000, 0.0003200200000000 ] - [ 0.0033511400000000, -0.0041010900000000, 0.0022275100000000 ] - [ -0.0004895800000000, -0.0007365800000000, -0.0002451900000000 ] - [ 0.0046520300000000, -0.0028825700000000, -0.0006964400000000 ] - [ -0.0039156900000000, -0.0027023800000000, -0.0003085500000000 ]- atom: 21 displacement: [ -0.0020756950114625, 0.0000000000000000, 0.0097822027283935 ] forces: - [ 0.0068111100000000, 0.0145519500000000, 0.0216656700000000 ] - [ 0.0006517800000000, 0.0004290300000000, 0.0002814900000000 ] - [ -0.0064984800000000, -0.0028218200000000, 0.0065654200000000 ] - [ 0.0010331800000000, 0.0003506700000000, 0.0002009000000000 ] - [ 0.0020771600000000, 0.0013445800000000, -0.0054840100000000 ] - [ 0.0006552900000000, 0.0013121200000000, -0.0016990800000000 ] - [ -0.0015243300000000, -0.0008809500000000, 0.0035864800000000 ] - [ 0.0009566300000000, -0.0004206300000000, 0.0011780100000000 ] - [ 0.0020771600000000, -0.0013445800000000, -0.0054840100000000 ] - [ 0.0006552900000000, -0.0013121200000000, -0.0016990800000000 ] - [ -0.0015243300000000, 0.0008809500000000, 0.0035864800000000 ] - [ 0.0009566300000000, 0.0004206300000000, 0.0011780100000000 ] - [ 0.0068111100000000, -0.0145519500000000, 0.0216656700000000 ] - [ 0.0006517800000000, -0.0004290300000000, 0.0002814900000000 ] - [ -0.0064984800000000, 0.0028218200000000, 0.0065654200000000 ] - [ 0.0010331800000000, -0.0003506700000000, 0.0002009000000000 ] - [ 0.0126567700000000, 0.0000000000000000, -0.0042986000000000 ] - [ -0.0009839600000000, 0.0000000000000000, -0.0013847400000000 ] - [ -0.0028149300000000, 0.0000000000000000, 0.0026450600000000 ] - [ 0.0024509400000000, 0.0000000000000000, 0.0009338500000000 ] - [ -0.0954497100000000, 0.0000000000000000, -0.2602174000000000 ] - [ 0.0000277500000000, 0.0000000000000000, -0.0005105900000000 ] - [ -0.0004718000000000, 0.0000000000000000, 0.0055102000000000 ] - [ 0.0010191600000000, 0.0000000000000000, 0.0006744800000000 ] - [ -0.0127074100000000, 0.0000000000000000, 0.0076633400000000 ] - [ 0.0019464000000000, 0.0000000000000000, 0.0009504300000000 ] - [ 0.0063302300000000, 0.0000000000000000, 0.0143597700000000 ] - [ 0.0002978400000000, 0.0000000000000000, 0.0009252400000000 ] - [ -0.0010530200000000, -0.0008310100000000, -0.0004690800000000 ] - [ 0.0014562200000000, -0.0002287800000000, -0.0006457300000000 ] - [ 0.0068864200000000, 0.0052190600000000, 0.0043901300000000 ] - [ -0.0002701100000000, 0.0003830300000000, 0.0008346900000000 ] - [ -0.0025156100000000, 0.0025314600000000, -0.0044841700000000 ] - [ 0.0007510500000000, 0.0001833700000000, -0.0004139700000000 ] - [ -0.0012551600000000, -0.0016769200000000, 0.0029988000000000 ] - [ 0.0006453200000000, -0.0002142400000000, 0.0004646700000000 ] - [ -0.0025156100000000, -0.0025314600000000, -0.0044841700000000 ] - [ 0.0007510500000000, -0.0001833700000000, -0.0004139700000000 ] - [ -0.0012551600000000, 0.0016769200000000, 0.0029988000000000 ] - [ 0.0006453200000000, 0.0002142400000000, 0.0004646700000000 ] - [ -0.0010530200000000, 0.0008310100000000, -0.0004690800000000 ] - [ 0.0014562200000000, 0.0002287800000000, -0.0006457300000000 ] - [ 0.0068864200000000, -0.0052190600000000, 0.0043901300000000 ] - [ -0.0002701100000000, -0.0003830300000000, 0.0008346900000000 ] - [ -0.0000523300000000, 0.0000000000000000, -0.0015679500000000 ] - [ 0.0008164600000000, 0.0000000000000000, -0.0005407300000000 ] - [ -0.0030041500000000, 0.0000000000000000, 0.0021408600000000 ] - [ 0.0011888000000000, 0.0000000000000000, 0.0003695300000000 ] - [ -0.0000786200000000, 0.0000000000000000, -0.0017533600000000 ] - [ -0.0008320400000000, 0.0000000000000000, -0.0019102600000000 ] - [ 0.0006002700000000, 0.0000000000000000, 0.0025915200000000 ] - [ 0.0008337000000000, 0.0000000000000000, 0.0026336500000000 ] - [ -0.0004416900000000, 0.0000000000000000, -0.0024917600000000 ] - [ 0.0001274800000000, 0.0000000000000000, 0.0004099600000000 ] - [ -0.0005423100000000, 0.0000000000000000, 0.0016720900000000 ] - [ 0.0017667200000000, 0.0000000000000000, 0.0009598400000000 ] - [ 0.0062841200000000, 0.0000000000000000, 0.0107418200000000 ] - [ -0.0065403600000000, 0.0000000000000000, 0.0031660400000000 ] - [ -0.0034112600000000, 0.0000000000000000, -0.0085845300000000 ] - [ 0.0006006400000000, 0.0000000000000000, -0.0027471700000000 ] - [ 0.0679374200000000, 0.0000000000000000, 0.1554858400000000 ] - [ 0.0002844300000000, 0.0000000000000000, 0.0000664300000000 ] - [ 0.0045193300000000, 0.0000000000000000, -0.0099024000000000 ] - [ -0.0017937300000000, 0.0000000000000000, -0.0002631700000000 ] - [ -0.0004219400000000, 0.0000000000000000, 0.0056874800000000 ] - [ -0.0011478800000000, 0.0000000000000000, 0.0002026800000000 ] - [ 0.0028265800000000, 0.0000000000000000, -0.0041594600000000 ] - [ -0.0019632800000000, 0.0000000000000000, -0.0015091400000000 ] - [ 0.0008907500000000, 0.0000000000000000, 0.0023180200000000 ] - [ -0.0002258500000000, 0.0000000000000000, 0.0024131000000000 ] - [ 0.0027846900000000, 0.0000000000000000, -0.0051300400000000 ] - [ -0.0008779800000000, 0.0000000000000000, -0.0020592200000000 ] - [ 0.0072859700000000, 0.0043763900000000, -0.0068621000000000 ] - [ -0.0019599800000000, 0.0007944000000000, -0.0007312200000000 ] - [ -0.0003852800000000, 0.0128040700000000, 0.0223273100000000 ] - [ -0.0010006100000000, 0.0008042900000000, 0.0000837000000000 ] - [ 0.0072859700000000, -0.0043763900000000, -0.0068621000000000 ] - [ -0.0019599800000000, -0.0007944000000000, -0.0007312200000000 ] - [ -0.0003852800000000, -0.0128040700000000, 0.0223273100000000 ] - [ -0.0010006100000000, -0.0008042900000000, 0.0000837000000000 ] - [ -0.0045329900000000, -0.0046978300000000, -0.0034848600000000 ] - [ -0.0000872600000000, -0.0002094500000000, -0.0014986700000000 ] - [ 0.0039850800000000, 0.0022746800000000, 0.0018944100000000 ] - [ -0.0033270000000000, 0.0001544300000000, 0.0015558600000000 ] - [ -0.0045329900000000, 0.0046978300000000, -0.0034848600000000 ] - [ -0.0000872600000000, 0.0002094500000000, -0.0014986700000000 ] - [ 0.0039850800000000, -0.0022746800000000, 0.0018944100000000 ] - [ -0.0033270000000000, -0.0001544300000000, 0.0015558600000000 ]- atom: 21 displacement: [ 0.0020756950114625, 0.0000000000000000, -0.0097822027283935 ] forces: - [ -0.0067712600000000, -0.0144195700000000, -0.0216629900000000 ] - [ -0.0004859800000000, -0.0001010900000000, -0.0000453600000000 ] - [ 0.0066192400000000, 0.0031083800000000, -0.0062883900000000 ] - [ -0.0008730300000000, -0.0000299300000000, 0.0000238000000000 ] - [ -0.0023234900000000, -0.0009700900000000, 0.0052278800000000 ] - [ -0.0008155900000000, -0.0009785600000000, 0.0014599800000000 ] - [ 0.0013693300000000, 0.0011985200000000, -0.0038080900000000 ] - [ -0.0011362500000000, 0.0007520300000000, -0.0014109900000000 ] - [ -0.0023234900000000, 0.0009700900000000, 0.0052278800000000 ] - [ -0.0008155900000000, 0.0009785600000000, 0.0014599800000000 ] - [ 0.0013693300000000, -0.0011985200000000, -0.0038080900000000 ] - [ -0.0011362500000000, -0.0007520300000000, -0.0014109900000000 ] - [ -0.0067712600000000, 0.0144195700000000, -0.0216629900000000 ] - [ -0.0004859800000000, 0.0001010900000000, -0.0000453600000000 ] - [ 0.0066192400000000, -0.0031083800000000, -0.0062883900000000 ] - [ -0.0008730300000000, 0.0000299300000000, 0.0000238000000000 ] - [ -0.0124749000000000, 0.0000000000000000, 0.0044012300000000 ] - [ 0.0009827900000000, 0.0000000000000000, 0.0013996000000000 ] - [ 0.0028020400000000, 0.0000000000000000, -0.0026473100000000 ] - [ -0.0024320300000000, 0.0000000000000000, -0.0009371300000000 ] - [ 0.1002363000000000, 0.0000000000000000, 0.2660128600000000 ] - [ -0.0001323600000000, 0.0000000000000000, -0.0000192900000000 ] - [ 0.0003795000000000, 0.0000000000000000, -0.0060217000000000 ] - [ -0.0011241900000000, 0.0000000000000000, -0.0011960500000000 ] - [ 0.0129698300000000, 0.0000000000000000, -0.0072182900000000 ] - [ -0.0018226000000000, 0.0000000000000000, -0.0004114100000000 ] - [ -0.0061288000000000, 0.0000000000000000, -0.0136442600000000 ] - [ -0.0002052700000000, 0.0000000000000000, -0.0004081600000000 ] - [ 0.0012253000000000, 0.0011591000000000, 0.0007076900000000 ] - [ -0.0012998200000000, 0.0005489100000000, 0.0008787700000000 ] - [ -0.0066826800000000, -0.0048910300000000, -0.0041371300000000 ] - [ 0.0004316600000000, -0.0000728300000000, -0.0006159000000000 ] - [ 0.0023475300000000, -0.0022160900000000, 0.0042395300000000 ] - [ -0.0009223800000000, 0.0001476500000000, 0.0001815800000000 ] - [ 0.0010918800000000, 0.0020024000000000, -0.0032296300000000 ] - [ -0.0008161600000000, 0.0005322900000000, -0.0006931300000000 ] - [ 0.0023475300000000, 0.0022160900000000, 0.0042395300000000 ] - [ -0.0009223800000000, -0.0001476500000000, 0.0001815800000000 ] - [ 0.0010918800000000, -0.0020024000000000, -0.0032296300000000 ] - [ -0.0008161600000000, -0.0005322900000000, -0.0006931300000000 ] - [ 0.0012253000000000, -0.0011591000000000, 0.0007076900000000 ] - [ -0.0012998200000000, -0.0005489100000000, 0.0008787700000000 ] - [ -0.0066826800000000, 0.0048910300000000, -0.0041371300000000 ] - [ 0.0004316600000000, 0.0000728300000000, -0.0006159000000000 ] - [ 0.0000604600000000, 0.0000000000000000, 0.0015751100000000 ] - [ -0.0008346100000000, 0.0000000000000000, 0.0005461200000000 ] - [ 0.0030178900000000, 0.0000000000000000, -0.0021423800000000 ] - [ -0.0012055200000000, 0.0000000000000000, -0.0003722100000000 ] - [ -0.0000146100000000, 0.0000000000000000, 0.0012443900000000 ] - [ 0.0007358800000000, 0.0000000000000000, 0.0013950800000000 ] - [ -0.0006919200000000, 0.0000000000000000, -0.0030989900000000 ] - [ -0.0009348800000000, 0.0000000000000000, -0.0031617400000000 ] - [ 0.0005441000000000, 0.0000000000000000, 0.0030199900000000 ] - [ -0.0000249700000000, 0.0000000000000000, 0.0001222100000000 ] - [ 0.0006398900000000, 0.0000000000000000, -0.0011588100000000 ] - [ -0.0016671100000000, 0.0000000000000000, -0.0004491900000000 ] - [ -0.0067401000000000, 0.0000000000000000, -0.0112601200000000 ] - [ 0.0058844200000000, 0.0000000000000000, -0.0035576300000000 ] - [ 0.0028111300000000, 0.0000000000000000, 0.0081315900000000 ] - [ -0.0011559300000000, 0.0000000000000000, 0.0023153100000000 ] - [ -0.0728078400000000, 0.0000000000000000, -0.1619602100000000 ] - [ 0.0002762900000000, 0.0000000000000000, 0.0003659600000000 ] - [ -0.0039348600000000, 0.0000000000000000, 0.0103396400000000 ] - [ 0.0023613500000000, 0.0000000000000000, 0.0007065200000000 ] - [ -0.0001492400000000, 0.0000000000000000, -0.0061455400000000 ] - [ 0.0005902600000000, 0.0000000000000000, -0.0006453700000000 ] - [ -0.0033967800000000, 0.0000000000000000, 0.0037321500000000 ] - [ 0.0013938200000000, 0.0000000000000000, 0.0010822100000000 ] - [ -0.0003256400000000, 0.0000000000000000, -0.0018928300000000 ] - [ 0.0007930600000000, 0.0000000000000000, -0.0019771600000000 ] - [ -0.0022248400000000, 0.0000000000000000, 0.0055684100000000 ] - [ 0.0014620700000000, 0.0000000000000000, 0.0024993300000000 ] - [ -0.0073002900000000, -0.0034589000000000, 0.0068532400000000 ] - [ 0.0019571400000000, 0.0001477600000000, 0.0007205600000000 ] - [ 0.0006546800000000, -0.0111356700000000, -0.0219676600000000 ] - [ 0.0009929600000000, 0.0001296200000000, -0.0000786500000000 ] - [ -0.0073002900000000, 0.0034589000000000, 0.0068532400000000 ] - [ 0.0019571400000000, -0.0001477600000000, 0.0007205600000000 ] - [ 0.0006546800000000, 0.0111356700000000, -0.0219676600000000 ] - [ 0.0009929600000000, -0.0001296200000000, -0.0000786500000000 ] - [ 0.0045515200000000, 0.0056332500000000, 0.0034911200000000 ] - [ 0.0000803400000000, 0.0011463100000000, 0.0014951000000000 ] - [ -0.0039765000000000, -0.0013468600000000, -0.0018653200000000 ] - [ 0.0033258100000000, 0.0007586600000000, -0.0015419700000000 ] - [ 0.0045515200000000, -0.0056332500000000, 0.0034911200000000 ] - [ 0.0000803400000000, -0.0011463100000000, 0.0014951000000000 ] - [ -0.0039765000000000, 0.0013468600000000, -0.0018653200000000 ] - [ 0.0033258100000000, -0.0007586600000000, -0.0015419700000000 ]- atom: 57 displacement: [ 0.0099999891735141, 0.0000000000000000, 0.0000147149447937 ] forces: - [ -0.0052249600000000, -0.0033464000000000, -0.0038579000000000 ] - [ -0.0137479400000000, 0.0108291000000000, 0.0109213500000000 ] - [ -0.0020865000000000, -0.0009357400000000, 0.0004113300000000 ] - [ 0.0013097200000000, 0.0020300800000000, -0.0021923100000000 ] - [ 0.0460592700000000, 0.0290844200000000, -0.0176795000000000 ] - [ -0.0048150300000000, 0.0010534500000000, -0.0005257800000000 ] - [ 0.0063582600000000, -0.0010848300000000, 0.0010343300000000 ] - [ -0.0037352400000000, 0.0004931600000000, -0.0004570600000000 ] - [ 0.0460592700000000, -0.0290844200000000, -0.0176795000000000 ] - [ -0.0048150300000000, -0.0010534500000000, -0.0005257800000000 ] - [ 0.0063582600000000, 0.0010848300000000, 0.0010343300000000 ] - [ -0.0037352400000000, -0.0004931600000000, -0.0004570600000000 ] - [ -0.0052249600000000, 0.0033464000000000, -0.0038579000000000 ] - [ -0.0137479400000000, -0.0108291000000000, 0.0109213500000000 ] - [ -0.0020865000000000, 0.0009357400000000, 0.0004113300000000 ] - [ 0.0013097200000000, -0.0020300800000000, -0.0021923100000000 ] - [ -0.0100568400000000, 0.0000000000000000, -0.0000610600000000 ] - [ 0.2095310400000000, 0.0000000000000000, -0.0464738000000000 ] - [ -0.0043561600000000, 0.0000000000000000, 0.0000714600000000 ] - [ 0.0048535100000000, 0.0000000000000000, 0.0002744500000000 ] - [ -0.0138845400000000, 0.0000000000000000, 0.0034519900000000 ] - [ -0.0171403200000000, 0.0000000000000000, -0.0101804400000000 ] - [ -0.0014361400000000, 0.0000000000000000, -0.0037152800000000 ] - [ -0.0007544400000000, 0.0000000000000000, 0.0005406800000000 ] - [ 0.0806879600000000, 0.0000000000000000, 0.0878229600000000 ] - [ -0.0047106900000000, 0.0000000000000000, -0.0007860200000000 ] - [ 0.0019753700000000, 0.0000000000000000, 0.0049215000000000 ] - [ -0.0023122400000000, 0.0000000000000000, -0.0024108600000000 ] - [ 0.0062117800000000, 0.0011198700000000, 0.0003634200000000 ] - [ -0.0030429000000000, -0.0005179100000000, -0.0001296000000000 ] - [ 0.0028742300000000, 0.0021384800000000, 0.0019540000000000 ] - [ -0.0027909100000000, -0.0009798800000000, -0.0009423400000000 ] - [ -0.0019769500000000, 0.0017597800000000, -0.0001352000000000 ] - [ 0.0004498000000000, -0.0023603800000000, -0.0017296700000000 ] - [ -0.0027534200000000, 0.0025970900000000, -0.0019401300000000 ] - [ 0.0000004400000000, -0.0013741700000000, 0.0016343200000000 ] - [ -0.0019769500000000, -0.0017597800000000, -0.0001352000000000 ] - [ 0.0004498000000000, 0.0023603800000000, -0.0017296700000000 ] - [ -0.0027534200000000, -0.0025970900000000, -0.0019401300000000 ] - [ 0.0000004400000000, 0.0013741700000000, 0.0016343200000000 ] - [ 0.0062117800000000, -0.0011198700000000, 0.0003634200000000 ] - [ -0.0030429000000000, 0.0005179100000000, -0.0001296000000000 ] - [ 0.0028742300000000, -0.0021384800000000, 0.0019540000000000 ] - [ -0.0027909100000000, 0.0009798800000000, -0.0009423400000000 ] - [ 0.0018165100000000, 0.0000000000000000, -0.0006089100000000 ] - [ -0.0028655800000000, 0.0000000000000000, 0.0005027700000000 ] - [ 0.0014571700000000, 0.0000000000000000, -0.0000205200000000 ] - [ -0.0014941100000000, 0.0000000000000000, 0.0002093800000000 ] - [ 0.0026185700000000, 0.0000000000000000, 0.0002246400000000 ] - [ -0.0022091500000000, 0.0000000000000000, -0.0015533500000000 ] - [ 0.0024131200000000, 0.0000000000000000, 0.0034887800000000 ] - [ -0.0021857700000000, 0.0000000000000000, -0.0023820400000000 ] - [ -0.0014295600000000, 0.0000000000000000, -0.0006209000000000 ] - [ 0.0015770000000000, 0.0000000000000000, 0.0011669400000000 ] - [ -0.0013595100000000, 0.0000000000000000, -0.0012863300000000 ] - [ 0.0018066500000000, 0.0000000000000000, 0.0031484100000000 ] - [ -0.4085393000000000, 0.0000000000000000, -0.0073371000000000 ] - [ 0.0104914900000000, 0.0000000000000000, -0.0001618900000000 ] - [ -0.0071463700000000, 0.0000000000000000, -0.0044372100000000 ] - [ 0.0046888300000000, 0.0000000000000000, 0.0014217400000000 ] - [ 0.0190961200000000, 0.0000000000000000, 0.0105189600000000 ] - [ 0.0663059100000000, 0.0000000000000000, -0.0150096300000000 ] - [ 0.0044700900000000, 0.0000000000000000, 0.0011888500000000 ] - [ -0.0030061200000000, 0.0000000000000000, 0.0025013300000000 ] - [ 0.0003210500000000, 0.0000000000000000, 0.0010096700000000 ] - [ 0.0003008400000000, 0.0000000000000000, -0.0016882700000000 ] - [ -0.0006979400000000, 0.0000000000000000, 0.0022505100000000 ] - [ -0.0007084500000000, 0.0000000000000000, -0.0030848200000000 ] - [ -0.0038877400000000, 0.0000000000000000, 0.0010595700000000 ] - [ 0.0044755100000000, 0.0000000000000000, 0.0009227700000000 ] - [ -0.0023560600000000, 0.0000000000000000, -0.0033609800000000 ] - [ 0.0030951800000000, 0.0000000000000000, 0.0024772700000000 ] - [ -0.0003198400000000, -0.0136768600000000, 0.0121711200000000 ] - [ 0.0080235500000000, 0.0022259100000000, -0.0022813400000000 ] - [ 0.0038553800000000, -0.0126885000000000, -0.0124153200000000 ] - [ 0.0064404000000000, 0.0057391600000000, 0.0056755100000000 ] - [ -0.0003198400000000, 0.0136768600000000, 0.0121711200000000 ] - [ 0.0080235500000000, -0.0022259100000000, -0.0022813400000000 ] - [ 0.0038553800000000, 0.0126885000000000, -0.0124153200000000 ] - [ 0.0064404000000000, -0.0057391600000000, 0.0056755100000000 ] - [ 0.0063960200000000, 0.0019352400000000, 0.0020426300000000 ] - [ -0.0072098300000000, -0.0077340500000000, -0.0089073400000000 ] - [ 0.0056653100000000, 0.0008146100000000, 0.0007679400000000 ] - [ -0.0106630600000000, -0.0057615100000000, 0.0042199200000000 ] - [ 0.0063960200000000, -0.0019352400000000, 0.0020426300000000 ] - [ -0.0072098300000000, 0.0077340500000000, -0.0089073400000000 ] - [ 0.0056653100000000, -0.0008146100000000, 0.0007679400000000 ] - [ -0.0106630600000000, 0.0057615100000000, 0.0042199200000000 ]- atom: 57 displacement: [ -0.0099999891735141, 0.0000000000000000, -0.0000147149447937 ] forces: - [ 0.0053748500000000, 0.0037452500000000, 0.0041870400000000 ] - [ 0.0139122900000000, -0.0105027700000000, -0.0106721400000000 ] - [ 0.0022492200000000, 0.0012772500000000, -0.0002024300000000 ] - [ -0.0011359300000000, -0.0016840900000000, 0.0024261400000000 ] - [ -0.0455750400000000, -0.0282369000000000, 0.0170423700000000 ] - [ 0.0046713500000000, -0.0007202900000000, 0.0002808700000000 ] - [ -0.0065053800000000, 0.0014083100000000, -0.0012923200000000 ] - [ 0.0035856000000000, -0.0001528400000000, 0.0002116000000000 ] - [ -0.0455750400000000, 0.0282369000000000, 0.0170423700000000 ] - [ 0.0046713500000000, 0.0007202900000000, 0.0002808700000000 ] - [ -0.0065053800000000, -0.0014083100000000, -0.0012923200000000 ] - [ 0.0035856000000000, 0.0001528400000000, 0.0002116000000000 ] - [ 0.0053748500000000, -0.0037452500000000, 0.0041870400000000 ] - [ 0.0139122900000000, 0.0105027700000000, -0.0106721400000000 ] - [ 0.0022492200000000, -0.0012772500000000, -0.0002024300000000 ] - [ -0.0011359300000000, 0.0016840900000000, 0.0024261400000000 ] - [ 0.0101647600000000, 0.0000000000000000, 0.0000897600000000 ] - [ -0.1948497900000000, 0.0000000000000000, 0.0422151800000000 ] - [ 0.0043509200000000, 0.0000000000000000, -0.0000767900000000 ] - [ -0.0048482200000000, 0.0000000000000000, -0.0002666100000000 ] - [ 0.0141477900000000, 0.0000000000000000, -0.0040033000000000 ] - [ 0.0170176800000000, 0.0000000000000000, 0.0097058100000000 ] - [ 0.0013133300000000, 0.0000000000000000, 0.0032039200000000 ] - [ 0.0006648000000000, 0.0000000000000000, -0.0010050500000000 ] - [ -0.0812070700000000, 0.0000000000000000, -0.0907683400000000 ] - [ 0.0048258000000000, 0.0000000000000000, 0.0012871100000000 ] - [ -0.0019170600000000, 0.0000000000000000, -0.0044623300000000 ] - [ 0.0024148600000000, 0.0000000000000000, 0.0028922600000000 ] - [ -0.0060563800000000, -0.0007711600000000, -0.0001431600000000 ] - [ 0.0032013900000000, 0.0008435200000000, 0.0003687400000000 ] - [ -0.0027560500000000, -0.0018158000000000, -0.0017093700000000 ] - [ 0.0029513700000000, 0.0012943600000000, 0.0011703900000000 ] - [ 0.0018190700000000, -0.0014320600000000, -0.0001172800000000 ] - [ -0.0005803500000000, 0.0026964800000000, 0.0014745500000000 ] - [ 0.0025718600000000, -0.0022566800000000, 0.0016889500000000 ] - [ -0.0001450700000000, 0.0016991300000000, -0.0018682800000000 ] - [ 0.0018190700000000, 0.0014320600000000, -0.0001172800000000 ] - [ -0.0005803500000000, -0.0026964800000000, 0.0014745500000000 ] - [ 0.0025718600000000, 0.0022566800000000, 0.0016889500000000 ] - [ -0.0001450700000000, -0.0016991300000000, -0.0018682800000000 ] - [ -0.0060563800000000, 0.0007711600000000, -0.0001431600000000 ] - [ 0.0032013900000000, -0.0008435200000000, 0.0003687400000000 ] - [ -0.0027560500000000, 0.0018158000000000, -0.0017093700000000 ] - [ 0.0029513700000000, -0.0012943600000000, 0.0011703900000000 ] - [ -0.0018561200000000, 0.0000000000000000, 0.0006134700000000 ] - [ 0.0028719200000000, 0.0000000000000000, -0.0005012300000000 ] - [ -0.0014713800000000, 0.0000000000000000, 0.0000186000000000 ] - [ 0.0015045300000000, 0.0000000000000000, -0.0002114600000000 ] - [ -0.0027046700000000, 0.0000000000000000, -0.0006923100000000 ] - [ 0.0021210300000000, 0.0000000000000000, 0.0010807200000000 ] - [ -0.0025065500000000, 0.0000000000000000, -0.0039593500000000 ] - [ 0.0020949900000000, 0.0000000000000000, 0.0019137400000000 ] - [ 0.0015188300000000, 0.0000000000000000, 0.0010901600000000 ] - [ -0.0014644700000000, 0.0000000000000000, -0.0006758700000000 ] - [ 0.0014498400000000, 0.0000000000000000, 0.0017556600000000 ] - [ -0.0017035300000000, 0.0000000000000000, -0.0026497100000000 ] - [ 0.3918343600000000, 0.0000000000000000, 0.0155580000000000 ] - [ -0.0110947900000000, 0.0000000000000000, -0.0002734000000000 ] - [ 0.0066060800000000, 0.0000000000000000, 0.0040137000000000 ] - [ -0.0052383300000000, 0.0000000000000000, -0.0018834100000000 ] - [ -0.0187549000000000, 0.0000000000000000, -0.0103744800000000 ] - [ -0.0653391100000000, 0.0000000000000000, 0.0152733400000000 ] - [ -0.0039111400000000, 0.0000000000000000, -0.0006777100000000 ] - [ 0.0035294000000000, 0.0000000000000000, -0.0020529200000000 ] - [ -0.0008327800000000, 0.0000000000000000, -0.0014927700000000 ] - [ -0.0008628700000000, 0.0000000000000000, 0.0012231800000000 ] - [ 0.0001611900000000, 0.0000000000000000, -0.0026853800000000 ] - [ 0.0001330200000000, 0.0000000000000000, 0.0026131400000000 ] - [ 0.0044654700000000, 0.0000000000000000, -0.0005958700000000 ] - [ -0.0039466400000000, 0.0000000000000000, -0.0004704500000000 ] - [ 0.0029150900000000, 0.0000000000000000, 0.0038132600000000 ] - [ -0.0025523300000000, 0.0000000000000000, -0.0020252600000000 ] - [ 0.0004478800000000, 0.0145287300000000, -0.0121540900000000 ] - [ -0.0080391500000000, -0.0013057800000000, 0.0022644400000000 ] - [ -0.0037280600000000, 0.0137958700000000, 0.0125769000000000 ] - [ -0.0064538800000000, -0.0048159500000000, -0.0056611400000000 ] - [ 0.0004478800000000, -0.0145287300000000, -0.0121540900000000 ] - [ -0.0080391500000000, 0.0013057800000000, 0.0022644400000000 ] - [ -0.0037280600000000, -0.0137958700000000, 0.0125769000000000 ] - [ -0.0064538800000000, 0.0048159500000000, -0.0056611400000000 ] - [ -0.0064009300000000, -0.0010607100000000, -0.0020568000000000 ] - [ 0.0071725000000000, 0.0086334800000000, 0.0089069800000000 ] - [ -0.0056787200000000, 0.0000761400000000, -0.0007513800000000 ] - [ 0.0105755900000000, 0.0066692500000000, -0.0042490900000000 ] - [ -0.0064009300000000, 0.0010607100000000, -0.0020568000000000 ] - [ 0.0071725000000000, -0.0086334800000000, 0.0089069800000000 ] - [ -0.0056787200000000, -0.0000761400000000, -0.0007513800000000 ] - [ 0.0105755900000000, -0.0066692500000000, -0.0042490900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006673500000000, 0.0012805800000000, -0.0003125200000000 ] - [ -0.0009855200000000, 0.0016645600000000, 0.0014106100000000 ] - [ -0.0038724900000000, 0.0027149800000000, 0.0021663500000000 ] - [ 0.0034145600000000, 0.0031236100000000, 0.0031137300000000 ] - [ 0.0263567800000000, 0.1561268900000000, -0.0760792700000000 ] - [ 0.0000853400000000, 0.0005692900000000, -0.0004224100000000 ] - [ -0.0000461100000000, 0.0015759900000000, -0.0008854600000000 ] - [ -0.0000869400000000, 0.0002926900000000, -0.0001622400000000 ] - [ -0.0286662100000000, 0.1638218200000000, 0.0823229400000000 ] - [ -0.0002395500000000, 0.0002475500000000, 0.0001761800000000 ] - [ -0.0001031700000000, 0.0012587100000000, 0.0006325500000000 ] - [ -0.0000687200000000, -0.0000522500000000, -0.0001000400000000 ] - [ 0.0008120900000000, 0.0009480000000000, 0.0005677300000000 ] - [ 0.0011565600000000, 0.0013642500000000, -0.0011799900000000 ] - [ 0.0040214300000000, 0.0023750900000000, -0.0019037400000000 ] - [ -0.0032700400000000, 0.0027968300000000, -0.0028608400000000 ] - [ -0.0000010600000000, 0.0002736700000000, -0.0000013400000000 ] - [ -0.0007390500000000, 0.0278309900000000, 0.0002054000000000 ] - [ -0.0000020900000000, 0.0007986700000000, 0.0000001300000000 ] - [ -0.0000042100000000, 0.0023933700000000, 0.0000032000000000 ] - [ -0.0000529700000000, 0.0115563400000000, -0.0002363300000000 ] - [ -0.0000260000000000, 0.0004150000000000, -0.0002335200000000 ] - [ -0.0000431300000000, 0.0016260800000000, -0.0002288100000000 ] - [ -0.0000492800000000, 0.0010047200000000, -0.0002380300000000 ] - [ 0.0003932200000000, 0.0380750100000000, 0.0008979500000000 ] - [ 0.0000513000000000, 0.0002083600000000, 0.0002426800000000 ] - [ 0.0000538400000000, 0.0086828900000000, 0.0002449600000000 ] - [ 0.0000492600000000, 0.0010156000000000, 0.0002413300000000 ] - [ 0.0001676400000000, -0.0074151700000000, 0.0042550700000000 ] - [ 0.0001706000000000, 0.0000653400000000, 0.0000956400000000 ] - [ 0.0020166600000000, -0.0076063200000000, -0.0054807700000000 ] - [ 0.0000565300000000, -0.0002786900000000, -0.0001910400000000 ] - [ 0.0022905300000000, -0.0031331000000000, 0.0015906700000000 ] - [ -0.0036612600000000, -0.0023147100000000, 0.0012516600000000 ] - [ -0.0004868900000000, 0.0000589600000000, -0.0000888800000000 ] - [ -0.0005026100000000, -0.0003960800000000, 0.0001133700000000 ] - [ -0.0024315700000000, -0.0034929400000000, -0.0018666100000000 ] - [ 0.0034981500000000, -0.0026732200000000, -0.0015275400000000 ] - [ 0.0003398000000000, -0.0002778700000000, -0.0001612700000000 ] - [ 0.0003352400000000, -0.0007307900000000, -0.0003641100000000 ] - [ -0.0000119600000000, -0.0077129700000000, -0.0039404400000000 ] - [ -0.0000213300000000, -0.0002673700000000, 0.0001533400000000 ] - [ -0.0018589000000000, -0.0079619000000000, 0.0057523200000000 ] - [ 0.0000974600000000, -0.0006005700000000, 0.0004348500000000 ] - [ 0.0000269300000000, -0.0046998800000000, -0.0000118700000000 ] - [ -0.0000095300000000, -0.0007825800000000, 0.0000010700000000 ] - [ -0.0000009000000000, -0.0018703300000000, 0.0000047500000000 ] - [ -0.0000064200000000, -0.0003522500000000, 0.0000001300000000 ] - [ -0.0000560500000000, -0.0121697300000000, -0.0002545100000000 ] - [ -0.0000501600000000, -0.0007834500000000, -0.0002422100000000 ] - [ -0.0000497900000000, -0.0026524000000000, -0.0002240800000000 ] - [ -0.0000459000000000, -0.0002615100000000, -0.0002371900000000 ] - [ 0.0000554100000000, -0.0009355500000000, 0.0002383600000000 ] - [ 0.0000403000000000, -0.0020468800000000, 0.0002427700000000 ] - [ 0.0000511000000000, -0.0007423400000000, 0.0002448900000000 ] - [ 0.0000417200000000, -0.0099728800000000, 0.0002281900000000 ] - [ 0.0022777700000000, -0.4285982200000000, -0.0077665900000000 ] - [ -0.0002674600000000, -0.0007524600000000, -0.0002263600000000 ] - [ -0.0002684200000000, -0.0033130000000000, -0.0002261500000000 ] - [ -0.0002674500000000, -0.0001969600000000, -0.0002327400000000 ] - [ 0.0002854100000000, -0.0025410700000000, 0.0002404200000000 ] - [ 0.0002617500000000, 0.0022556500000000, 0.0002369000000000 ] - [ 0.0002680000000000, -0.0037981000000000, 0.0002321200000000 ] - [ 0.0002709500000000, -0.0065404800000000, 0.0002267100000000 ] - [ -0.0002956000000000, 0.0051444300000000, -0.0002272300000000 ] - [ -0.0002491100000000, 0.0051368900000000, -0.0002264300000000 ] - [ -0.0002728200000000, 0.0006048700000000, -0.0002346800000000 ] - [ -0.0002674200000000, 0.0006026300000000, -0.0002271300000000 ] - [ 0.0002515700000000, 0.0168049700000000, 0.0002709400000000 ] - [ 0.0002670600000000, 0.0001687300000000, 0.0002293400000000 ] - [ 0.0002663500000000, 0.0096190300000000, 0.0002190300000000 ] - [ 0.0002771200000000, 0.0007886800000000, 0.0002262900000000 ] - [ -0.0046889100000000, 0.0000900500000000, -0.0103846700000000 ] - [ 0.0001229600000000, 0.0003260400000000, 0.0002102400000000 ] - [ -0.0265357200000000, -0.0006988900000000, 0.0123825100000000 ] - [ 0.0023357000000000, -0.0006298400000000, 0.0000505700000000 ] - [ 0.0046384000000000, -0.0007202900000000, 0.0103071500000000 ] - [ -0.0001214900000000, -0.0005802300000000, -0.0002070000000000 ] - [ 0.0265186100000000, -0.0016224100000000, -0.0123377200000000 ] - [ -0.0023382800000000, -0.0015230100000000, -0.0000539200000000 ] - [ 0.0004059500000000, 0.0008851000000000, 0.0003520900000000 ] - [ -0.0038705800000000, 0.0019887400000000, 0.0024894700000000 ] - [ 0.0015292700000000, 0.0013207200000000, 0.0000268600000000 ] - [ -0.0185832400000000, 0.0266172600000000, -0.0168465400000000 ] - [ -0.0004127300000000, -0.0000287300000000, -0.0003449300000000 ] - [ 0.0039289500000000, 0.0010423200000000, -0.0025221700000000 ] - [ -0.0015325800000000, 0.0003967400000000, -0.0000230500000000 ] - [ 0.0186007200000000, 0.0257687200000000, 0.0169888900000000 ]- atom: 57 displacement: [ -0.0020756950114625, 0.0000000000000000, 0.0097822027283935 ] forces: - [ -0.0071886400000000, -0.0021607300000000, 0.0026601900000000 ] - [ 0.0057687600000000, -0.0034554400000000, -0.0038288500000000 ] - [ 0.0040770500000000, -0.0008811700000000, -0.0031529200000000 ] - [ -0.0044500100000000, -0.0008653700000000, -0.0017597800000000 ] - [ -0.0261868500000000, -0.0884884400000000, 0.0905049300000000 ] - [ 0.0006815700000000, -0.0005674300000000, 0.0005779300000000 ] - [ 0.0033230800000000, -0.0003067700000000, -0.0082627300000000 ] - [ -0.0002198900000000, 0.0004954200000000, -0.0008096900000000 ] - [ -0.0261868500000000, 0.0884884400000000, 0.0905049300000000 ] - [ 0.0006815700000000, 0.0005674300000000, 0.0005779300000000 ] - [ 0.0033230800000000, 0.0003067700000000, -0.0082627300000000 ] - [ -0.0002198900000000, -0.0004954200000000, -0.0008096900000000 ] - [ -0.0071886400000000, 0.0021607300000000, 0.0026601900000000 ] - [ 0.0057687600000000, 0.0034554400000000, -0.0038288500000000 ] - [ 0.0040770500000000, 0.0008811700000000, -0.0031529200000000 ] - [ -0.0044500100000000, 0.0008653700000000, -0.0017597800000000 ] - [ 0.0018500900000000, 0.0000000000000000, 0.0023146600000000 ] - [ -0.0861182500000000, 0.0000000000000000, 0.0464133500000000 ] - [ -0.0000056300000000, 0.0000000000000000, -0.0015707600000000 ] - [ 0.0014195200000000, 0.0000000000000000, -0.0053944500000000 ] - [ 0.0094450000000000, 0.0000000000000000, 0.0113840300000000 ] - [ 0.0093028300000000, 0.0000000000000000, 0.0064005500000000 ] - [ -0.0023085000000000, 0.0000000000000000, -0.0084578000000000 ] - [ -0.0010546900000000, 0.0000000000000000, -0.0032035100000000 ] - [ 0.0656134200000000, 0.0000000000000000, 0.1550383800000000 ] - [ 0.0013669500000000, 0.0000000000000000, 0.0004010400000000 ] - [ 0.0017593100000000, 0.0000000000000000, -0.0103943800000000 ] - [ -0.0009250900000000, 0.0000000000000000, 0.0000230200000000 ] - [ 0.0003322700000000, 0.0055457600000000, 0.0052531000000000 ] - [ -0.0001594600000000, 0.0005845000000000, 0.0006516900000000 ] - [ 0.0013954300000000, -0.0027760500000000, -0.0050254500000000 ] - [ 0.0002031000000000, 0.0001871800000000, -0.0002068900000000 ] - [ 0.0027521200000000, -0.0017306900000000, 0.0017922700000000 ] - [ -0.0030178100000000, 0.0006241900000000, 0.0022388800000000 ] - [ -0.0032654900000000, 0.0035255300000000, -0.0029597100000000 ] - [ 0.0003058600000000, 0.0013800700000000, -0.0027032000000000 ] - [ 0.0027521200000000, 0.0017306900000000, 0.0017922700000000 ] - [ -0.0030178100000000, -0.0006241900000000, 0.0022388800000000 ] - [ -0.0032654900000000, -0.0035255300000000, -0.0029597100000000 ] - [ 0.0003058600000000, -0.0013800700000000, -0.0027032000000000 ] - [ 0.0003322700000000, -0.0055457600000000, 0.0052531000000000 ] - [ -0.0001594600000000, -0.0005845000000000, 0.0006516900000000 ] - [ 0.0013954300000000, 0.0027760500000000, -0.0050254500000000 ] - [ 0.0002031000000000, -0.0001871800000000, -0.0002068900000000 ] - [ -0.0003276500000000, 0.0000000000000000, 0.0035732000000000 ] - [ -0.0004213100000000, 0.0000000000000000, 0.0008510800000000 ] - [ 0.0035098500000000, 0.0000000000000000, -0.0029345000000000 ] - [ -0.0016158800000000, 0.0000000000000000, -0.0007733400000000 ] - [ -0.0005568900000000, 0.0000000000000000, 0.0055589900000000 ] - [ 0.0007686200000000, 0.0000000000000000, 0.0005093600000000 ] - [ -0.0004940000000000, 0.0000000000000000, -0.0049662800000000 ] - [ -0.0012482100000000, 0.0000000000000000, -0.0014634000000000 ] - [ 0.0008304800000000, 0.0000000000000000, 0.0027380800000000 ] - [ 0.0007313100000000, 0.0000000000000000, 0.0023870600000000 ] - [ 0.0001411100000000, 0.0000000000000000, -0.0017398300000000 ] - [ -0.0026911400000000, 0.0000000000000000, -0.0061850100000000 ] - [ 0.0743852700000000, 0.0000000000000000, -0.4366094900000000 ] - [ -0.0024879800000000, 0.0000000000000000, -0.0009360300000000 ] - [ -0.0030260600000000, 0.0000000000000000, 0.0171669400000000 ] - [ 0.0002846800000000, 0.0000000000000000, 0.0010381800000000 ] - [ 0.0066265700000000, 0.0000000000000000, -0.0166610900000000 ] - [ -0.0281298100000000, 0.0000000000000000, 0.0082101000000000 ] - [ 0.0003229000000000, 0.0000000000000000, 0.0081715100000000 ] - [ 0.0032243300000000, 0.0000000000000000, 0.0064425500000000 ] - [ -0.0018323600000000, 0.0000000000000000, -0.0042013000000000 ] - [ 0.0008081000000000, 0.0000000000000000, -0.0036261900000000 ] - [ -0.0030069000000000, 0.0000000000000000, 0.0044306100000000 ] - [ 0.0021948800000000, 0.0000000000000000, 0.0055261500000000 ] - [ 0.0019924300000000, 0.0000000000000000, -0.0144646900000000 ] - [ 0.0001053400000000, 0.0000000000000000, -0.0010465700000000 ] - [ -0.0026749400000000, 0.0000000000000000, 0.0083814700000000 ] - [ 0.0019134200000000, 0.0000000000000000, 0.0013346000000000 ] - [ 0.0115642200000000, -0.0214664500000000, 0.0170622900000000 ] - [ -0.0016778100000000, 0.0000123100000000, 0.0021675600000000 ] - [ -0.0222049800000000, 0.0090970200000000, 0.0101788000000000 ] - [ 0.0017848600000000, -0.0022100200000000, -0.0030294600000000 ] - [ 0.0115642200000000, 0.0214664500000000, 0.0170622900000000 ] - [ -0.0016778100000000, -0.0000123100000000, 0.0021675600000000 ] - [ -0.0222049800000000, -0.0090970200000000, 0.0101788000000000 ] - [ 0.0017848600000000, 0.0022100200000000, -0.0030294600000000 ] - [ 0.0022682800000000, 0.0018700500000000, -0.0002584400000000 ] - [ -0.0035130100000000, 0.0075732100000000, 0.0048634200000000 ] - [ -0.0023647800000000, -0.0000574100000000, 0.0004556000000000 ] - [ 0.0149565500000000, -0.0129601400000000, 0.0067573100000000 ] - [ 0.0022682800000000, -0.0018700500000000, -0.0002584400000000 ] - [ -0.0035130100000000, -0.0075732100000000, 0.0048634200000000 ] - [ -0.0023647800000000, 0.0000574100000000, 0.0004556000000000 ] - [ 0.0149565500000000, 0.0129601400000000, 0.0067573100000000 ]- atom: 57 displacement: [ 0.0020756950114625, 0.0000000000000000, -0.0097822027283935 ] forces: - [ 0.0073485800000000, 0.0024989200000000, -0.0024146300000000 ] - [ -0.0055954500000000, 0.0037817800000000, 0.0040332800000000 ] - [ -0.0038970600000000, 0.0012275500000000, 0.0033892700000000 ] - [ 0.0046001800000000, 0.0012219900000000, 0.0020088100000000 ] - [ 0.0253542400000000, 0.0847657300000000, -0.0891976700000000 ] - [ -0.0008487900000000, 0.0009079000000000, -0.0008144700000000 ] - [ -0.0034881000000000, 0.0006745000000000, 0.0080400200000000 ] - [ 0.0000451700000000, -0.0001488800000000, 0.0005686200000000 ] - [ 0.0253542400000000, -0.0847657300000000, -0.0891976700000000 ] - [ -0.0008487900000000, -0.0009079000000000, -0.0008144700000000 ] - [ -0.0034881000000000, -0.0006745000000000, 0.0080400200000000 ] - [ 0.0000451700000000, 0.0001488800000000, 0.0005686200000000 ] - [ 0.0073485800000000, -0.0024989200000000, -0.0024146300000000 ] - [ -0.0055954500000000, -0.0037817800000000, 0.0040332800000000 ] - [ -0.0038970600000000, -0.0012275500000000, 0.0033892700000000 ] - [ 0.0046001800000000, -0.0012219900000000, 0.0020088100000000 ] - [ -0.0018337600000000, 0.0000000000000000, -0.0023098800000000 ] - [ 0.0881995100000000, 0.0000000000000000, -0.0462031100000000 ] - [ 0.0000093500000000, 0.0000000000000000, 0.0015678100000000 ] - [ -0.0014532200000000, 0.0000000000000000, 0.0053765100000000 ] - [ -0.0094591500000000, 0.0000000000000000, -0.0118586400000000 ] - [ -0.0093495800000000, 0.0000000000000000, -0.0069120100000000 ] - [ 0.0022520800000000, 0.0000000000000000, 0.0079066300000000 ] - [ 0.0009601300000000, 0.0000000000000000, 0.0026623800000000 ] - [ -0.0708367900000000, 0.0000000000000000, -0.1615093700000000 ] - [ -0.0012921600000000, 0.0000000000000000, 0.0001301800000000 ] - [ -0.0016359300000000, 0.0000000000000000, 0.0109125100000000 ] - [ 0.0009958700000000, 0.0000000000000000, 0.0005129700000000 ] - [ -0.0001468800000000, -0.0052301000000000, -0.0050356700000000 ] - [ 0.0003254700000000, -0.0002453200000000, -0.0004165500000000 ] - [ -0.0012333100000000, 0.0031115000000000, 0.0052890900000000 ] - [ -0.0000334300000000, 0.0001506500000000, 0.0004420500000000 ] - [ -0.0029152500000000, 0.0020669300000000, -0.0020218100000000 ] - [ 0.0028522300000000, -0.0002732300000000, -0.0024810100000000 ] - [ 0.0030997700000000, -0.0031922100000000, 0.0027248600000000 ] - [ -0.0004851900000000, -0.0010465600000000, 0.0024701100000000 ] - [ -0.0029152500000000, -0.0020669300000000, -0.0020218100000000 ] - [ 0.0028522300000000, 0.0002732300000000, -0.0024810100000000 ] - [ 0.0030997700000000, 0.0031922100000000, 0.0027248600000000 ] - [ -0.0004851900000000, 0.0010465600000000, 0.0024701100000000 ] - [ -0.0001468800000000, 0.0052301000000000, -0.0050356700000000 ] - [ 0.0003254700000000, 0.0002453200000000, -0.0004165500000000 ] - [ -0.0012333100000000, -0.0031115000000000, 0.0052890900000000 ] - [ -0.0000334300000000, -0.0001506500000000, 0.0004420500000000 ] - [ 0.0003330600000000, 0.0000000000000000, -0.0035796800000000 ] - [ 0.0004113900000000, 0.0000000000000000, -0.0008522700000000 ] - [ -0.0034975600000000, 0.0000000000000000, 0.0029359500000000 ] - [ 0.0016071400000000, 0.0000000000000000, 0.0007732800000000 ] - [ 0.0004899500000000, 0.0000000000000000, -0.0060997200000000 ] - [ -0.0008454700000000, 0.0000000000000000, -0.0010377500000000 ] - [ 0.0004166100000000, 0.0000000000000000, 0.0044428400000000 ] - [ 0.0011701300000000, 0.0000000000000000, 0.0009304200000000 ] - [ -0.0007526100000000, 0.0000000000000000, -0.0022059100000000 ] - [ -0.0006568300000000, 0.0000000000000000, -0.0018659700000000 ] - [ -0.0000575700000000, 0.0000000000000000, 0.0022733400000000 ] - [ 0.0027666900000000, 0.0000000000000000, 0.0067286100000000 ] - [ -0.0704464100000000, 0.0000000000000000, 0.4399371900000000 ] - [ 0.0018852900000000, 0.0000000000000000, 0.0005194800000000 ] - [ 0.0024396000000000, 0.0000000000000000, -0.0175728700000000 ] - [ -0.0008792900000000, 0.0000000000000000, -0.0014622100000000 ] - [ -0.0060092400000000, 0.0000000000000000, 0.0170354100000000 ] - [ 0.0288336200000000, 0.0000000000000000, -0.0077171700000000 ] - [ 0.0002528700000000, 0.0000000000000000, -0.0077439600000000 ] - [ -0.0025727000000000, 0.0000000000000000, -0.0060215400000000 ] - [ 0.0012530800000000, 0.0000000000000000, 0.0037726000000000 ] - [ -0.0014007100000000, 0.0000000000000000, 0.0032198700000000 ] - [ 0.0024119500000000, 0.0000000000000000, -0.0048533500000000 ] - [ -0.0027877300000000, 0.0000000000000000, -0.0059629200000000 ] - [ -0.0014121400000000, 0.0000000000000000, 0.0149527300000000 ] - [ 0.0004815500000000, 0.0000000000000000, 0.0014703900000000 ] - [ 0.0032667200000000, 0.0000000000000000, -0.0079662300000000 ] - [ -0.0013190100000000, 0.0000000000000000, -0.0009151300000000 ] - [ -0.0116678300000000, 0.0224344300000000, -0.0170945700000000 ] - [ 0.0016761400000000, 0.0009277300000000, -0.0021642500000000 ] - [ 0.0221384300000000, -0.0080290500000000, -0.0101925300000000 ] - [ -0.0018000300000000, 0.0031393700000000, 0.0030147600000000 ] - [ -0.0116678300000000, -0.0224344300000000, -0.0170945700000000 ] - [ 0.0016761400000000, -0.0009277300000000, -0.0021642500000000 ] - [ 0.0221384300000000, 0.0080290500000000, -0.0101925300000000 ] - [ -0.0018000300000000, -0.0031393700000000, 0.0030147600000000 ] - [ -0.0022652100000000, -0.0009346400000000, 0.0002567300000000 ] - [ 0.0035489100000000, -0.0066680600000000, -0.0048478900000000 ] - [ 0.0023640500000000, 0.0009899500000000, -0.0004555400000000 ] - [ -0.0149459800000000, 0.0138463100000000, -0.0068067200000000 ] - [ -0.0022652100000000, 0.0009346400000000, 0.0002567300000000 ] - [ 0.0035489100000000, 0.0066680600000000, -0.0048478900000000 ] - [ 0.0023640500000000, -0.0009899500000000, -0.0004555400000000 ] - [ -0.0149459800000000, -0.0138463100000000, -0.0068067200000000 ]- atom: 73 displacement: [ 0.0099999891735141, 0.0000000000000000, 0.0000147149447937 ] forces: - [ 0.0040590800000000, -0.0079518400000000, 0.0009032100000000 ] - [ -0.0035196200000000, 0.0004703900000000, -0.0002074500000000 ] - [ 0.0023554000000000, -0.0015786400000000, -0.0026280000000000 ] - [ -0.0032910900000000, 0.0004791900000000, 0.0004335600000000 ] - [ 0.0021778900000000, 0.0018074800000000, -0.0027636300000000 ] - [ -0.0034861400000000, -0.0002197900000000, 0.0002441000000000 ] - [ 0.0039103500000000, 0.0082493000000000, 0.0007126100000000 ] - [ -0.0037142600000000, -0.0002198300000000, -0.0003840900000000 ] - [ 0.0031850300000000, -0.0001511200000000, -0.0037222100000000 ] - [ -0.0033991800000000, -0.0001414800000000, 0.0000847700000000 ] - [ 0.0236548100000000, 0.0013563000000000, -0.0057392600000000 ] - [ -0.0065393100000000, -0.0021882600000000, -0.0021977200000000 ] - [ 0.0219941100000000, -0.0019520400000000, -0.0045942600000000 ] - [ -0.0063643200000000, 0.0019546100000000, -0.0020340800000000 ] - [ 0.0033522500000000, -0.0000754900000000, -0.0035817300000000 ] - [ -0.0032052200000000, -0.0001115400000000, 0.0002742000000000 ] - [ -0.0081009700000000, -0.0036983800000000, 0.0045414400000000 ] - [ -0.0025284100000000, 0.0017133000000000, -0.0022096000000000 ] - [ -0.0025958900000000, -0.0016937300000000, -0.0021972800000000 ] - [ -0.0080930900000000, 0.0036923800000000, 0.0045462100000000 ] - [ 0.0062825900000000, -0.0041784400000000, 0.0085187500000000 ] - [ -0.0031289400000000, 0.0003043200000000, -0.0029131300000000 ] - [ 0.0127150100000000, -0.0014548700000000, 0.0019106100000000 ] - [ -0.0036968500000000, -0.0000220900000000, -0.0020476000000000 ] - [ 0.0128673100000000, 0.0013787800000000, 0.0025171200000000 ] - [ -0.0036359200000000, 0.0000260300000000, -0.0015449900000000 ] - [ 0.0063676000000000, 0.0042024700000000, 0.0090531800000000 ] - [ -0.0030719400000000, -0.0003007800000000, -0.0024037000000000 ] - [ 0.0303200400000000, 0.0148349500000000, 0.0116328800000000 ] - [ -0.0061469600000000, 0.0009712700000000, 0.0013486700000000 ] - [ 0.0025864600000000, -0.0009661300000000, 0.0032647600000000 ] - [ -0.0027875800000000, -0.0003077600000000, -0.0013385600000000 ] - [ 0.0023888900000000, 0.0012095800000000, 0.0030674500000000 ] - [ -0.0029715800000000, 0.0005656600000000, -0.0015314600000000 ] - [ 0.0294850500000000, -0.0136715900000000, 0.0107567300000000 ] - [ -0.0063528400000000, -0.0007272800000000, 0.0011766800000000 ] - [ 0.0027746600000000, 0.0007442400000000, 0.0012157100000000 ] - [ -0.0025917500000000, -0.0010185000000000, -0.0014557100000000 ] - [ 0.0033835100000000, 0.0064452500000000, 0.0005409900000000 ] - [ -0.0033483900000000, -0.0009011600000000, -0.0000939500000000 ] - [ 0.0036005600000000, -0.0067248500000000, 0.0007271500000000 ] - [ -0.0031601700000000, 0.0006427600000000, 0.0000879600000000 ] - [ 0.0029693900000000, -0.0010045400000000, 0.0014099100000000 ] - [ -0.0024063400000000, 0.0007661200000000, -0.0012665700000000 ] - [ 0.0125516500000000, -0.0005748400000000, -0.0019554700000000 ] - [ -0.0056387100000000, 0.0001977600000000, 0.0005039900000000 ] - [ 0.0125532600000000, 0.0005763500000000, -0.0019582100000000 ] - [ -0.0056373900000000, -0.0002003500000000, 0.0005091400000000 ] - [ -0.0005152500000000, -0.0033641700000000, -0.0050028100000000 ] - [ -0.0016007800000000, 0.0004862600000000, -0.0006823400000000 ] - [ -0.0000419700000000, -0.0046357100000000, 0.0038232100000000 ] - [ -0.0040777300000000, 0.0038788300000000, -0.0045035600000000 ] - [ 0.0000185800000000, 0.0046049400000000, 0.0043163000000000 ] - [ -0.0040236700000000, -0.0039119800000000, -0.0040192500000000 ] - [ -0.0004622100000000, 0.0033644700000000, -0.0045105500000000 ] - [ -0.0015320100000000, -0.0004882400000000, -0.0001560100000000 ] - [ -0.0007506300000000, -0.0046902700000000, 0.0115455700000000 ] - [ 0.0077284000000000, 0.0001223600000000, -0.0002154500000000 ] - [ 0.0035284500000000, -0.0265887700000000, -0.0221297700000000 ] - [ 0.0061575700000000, 0.0023260200000000, 0.0029656900000000 ] - [ 0.0040869800000000, 0.0264325000000000, -0.0215631200000000 ] - [ 0.0067425300000000, -0.0023446100000000, 0.0034190700000000 ] - [ -0.0000178700000000, 0.0046663400000000, 0.0120881600000000 ] - [ 0.0083288300000000, -0.0001265600000000, 0.0002000700000000 ] - [ -0.0074787300000000, -0.0038886900000000, -0.0053321400000000 ] - [ 0.0060959900000000, 0.0004091100000000, 0.0034726000000000 ] - [ -0.0109221200000000, -0.0185837700000000, 0.0128134100000000 ] - [ 0.0053741600000000, 0.0015333800000000, -0.0014332200000000 ] - [ -0.0103416100000000, 0.0186533900000000, 0.0132698200000000 ] - [ 0.0059761300000000, -0.0015200500000000, -0.0009874100000000 ] - [ -0.0069160200000000, 0.0038992700000000, -0.0049236000000000 ] - [ 0.0066967300000000, -0.0004095800000000, 0.0038798100000000 ] - [ -0.1802406300000000, -0.0002144600000000, -0.0169104800000000 ] - [ 0.0106630300000000, 0.0004489700000000, 0.0009249100000000 ] - [ -0.0125388300000000, 0.0004668500000000, -0.0073225900000000 ] - [ 0.0065481200000000, 0.0004560100000000, 0.0021897600000000 ] - [ -0.0218420700000000, -0.0003523900000000, -0.0078523800000000 ] - [ 0.0073535600000000, -0.0004557200000000, 0.0009846000000000 ] - [ -0.0094774600000000, -0.0004610600000000, -0.0031598200000000 ] - [ 0.0060959500000000, -0.0004581500000000, 0.0017907900000000 ] - [ 0.0039567200000000, -0.0005615300000000, 0.0006396700000000 ] - [ 0.0039309000000000, 0.0014853000000000, 0.0006466700000000 ] - [ 0.0013635400000000, -0.0001167500000000, 0.0011675200000000 ] - [ 0.0013374700000000, 0.0010412400000000, 0.0011500800000000 ] - [ 0.0343920800000000, -0.0153183000000000, 0.0028999000000000 ] - [ 0.0347775000000000, 0.0145847400000000, 0.0029047700000000 ] - [ 0.0027623700000000, -0.0005507100000000, 0.0022088500000000 ] - [ 0.0027419400000000, -0.0003716600000000, 0.0021901400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065552100000000, -0.0039478500000000, 0.0012198400000000 ] - [ 0.0010751900000000, -0.0006992400000000, -0.0004050400000000 ] - [ -0.0017350300000000, -0.0045011200000000, -0.0057468500000000 ] - [ 0.0002366400000000, -0.0005018000000000, -0.0000112900000000 ] - [ 0.0017350300000000, -0.0045011200000000, 0.0057468500000000 ] - [ -0.0002366400000000, -0.0005018000000000, 0.0000112900000000 ] - [ 0.0065552100000000, -0.0039478500000000, -0.0012198400000000 ] - [ -0.0010751900000000, -0.0006992400000000, 0.0004050400000000 ] - [ 0.0017320400000000, 0.0066154100000000, 0.0048835400000000 ] - [ -0.0003253100000000, 0.0006673000000000, 0.0000839900000000 ] - [ -0.0052606200000000, 0.0165318100000000, 0.0066214600000000 ] - [ -0.0001929700000000, 0.0021154700000000, 0.0011918200000000 ] - [ 0.0052606200000000, 0.0165318100000000, -0.0066214600000000 ] - [ 0.0001929700000000, 0.0021154700000000, -0.0011918200000000 ] - [ -0.0017320400000000, 0.0066154100000000, -0.0048835400000000 ] - [ 0.0003253100000000, 0.0006673000000000, -0.0000839900000000 ] - [ -0.0022239500000000, 0.0006433100000000, 0.0002101400000000 ] - [ 0.0091042800000000, 0.0007852000000000, 0.0019036400000000 ] - [ -0.0091042800000000, 0.0007852000000000, -0.0019036400000000 ] - [ 0.0022239500000000, 0.0006433100000000, -0.0002101400000000 ] - [ -0.0022932300000000, 0.0005762200000000, 0.0032615200000000 ] - [ 0.0013230300000000, 0.0002236500000000, 0.0003506600000000 ] - [ 0.0046174100000000, 0.0283688500000000, 0.0124049300000000 ] - [ 0.0003975100000000, 0.0002802100000000, 0.0001679600000000 ] - [ -0.0046174100000000, 0.0283688500000000, -0.0124049300000000 ] - [ -0.0003975100000000, 0.0002802100000000, -0.0001679600000000 ] - [ 0.0022932300000000, 0.0005762200000000, -0.0032615200000000 ] - [ -0.0013230300000000, 0.0002236500000000, -0.0003506600000000 ] - [ 0.0116751300000000, 0.0216529600000000, 0.0119618300000000 ] - [ 0.0019066200000000, -0.0000164500000000, -0.0005753800000000 ] - [ -0.0009212900000000, 0.0027940000000000, 0.0017573400000000 ] - [ 0.0007163300000000, 0.0008161400000000, 0.0008569600000000 ] - [ 0.0009212900000000, 0.0027940000000000, -0.0017573400000000 ] - [ -0.0007163300000000, 0.0008161400000000, -0.0008569600000000 ] - [ -0.0116751300000000, 0.0216529600000000, -0.0119618300000000 ] - [ -0.0019066200000000, -0.0000164500000000, 0.0005753800000000 ] - [ 0.0009858900000000, -0.0035113300000000, -0.0018526100000000 ] - [ -0.0003835500000000, -0.0011722600000000, -0.0007303400000000 ] - [ -0.0013443500000000, -0.0130503200000000, -0.0029434300000000 ] - [ -0.0003581900000000, -0.0011027300000000, -0.0003229900000000 ] - [ 0.0013443500000000, -0.0130503200000000, 0.0029434300000000 ] - [ 0.0003581900000000, -0.0011027300000000, 0.0003229900000000 ] - [ -0.0009858900000000, -0.0035113300000000, 0.0018526100000000 ] - [ 0.0003835500000000, -0.0011722600000000, 0.0007303400000000 ] - [ 0.0049298800000000, -0.0061914900000000, -0.0066178300000000 ] - [ -0.0003836200000000, -0.0001992700000000, -0.0003079900000000 ] - [ -0.0049298800000000, -0.0061914900000000, 0.0066178300000000 ] - [ 0.0003836200000000, -0.0001992700000000, 0.0003079900000000 ] - [ -0.0027838900000000, -0.0036321400000000, -0.0061259700000000 ] - [ 0.0001338700000000, -0.0002620000000000, -0.0009240500000000 ] - [ -0.0029107400000000, -0.0024051200000000, 0.0009725200000000 ] - [ 0.0024055500000000, -0.0022115800000000, -0.0000636900000000 ] - [ 0.0029107400000000, -0.0024051200000000, -0.0009725200000000 ] - [ -0.0024055500000000, -0.0022115800000000, 0.0000636900000000 ] - [ 0.0027838900000000, -0.0036321400000000, 0.0061259700000000 ] - [ -0.0001338700000000, -0.0002620000000000, 0.0009240500000000 ] - [ -0.0143102700000000, -0.0003185900000000, -0.0255423300000000 ] - [ 0.0014866300000000, -0.0001247100000000, -0.0002977100000000 ] - [ -0.0135160900000000, -0.0010659700000000, 0.0057450000000000 ] - [ 0.0049855400000000, -0.0010678300000000, -0.0018069800000000 ] - [ 0.0135160900000000, -0.0010659700000000, -0.0057450000000000 ] - [ -0.0049855400000000, -0.0010678300000000, 0.0018069800000000 ] - [ 0.0143102700000000, -0.0003185900000000, 0.0255423300000000 ] - [ -0.0014866300000000, -0.0001247100000000, 0.0002977100000000 ] - [ -0.0085131500000000, 0.0015053200000000, 0.0053509900000000 ] - [ 0.0012116800000000, 0.0004252300000000, 0.0015520200000000 ] - [ -0.0065542700000000, 0.0261811200000000, -0.0152530800000000 ] - [ 0.0000857400000000, 0.0008535000000000, -0.0006577300000000 ] - [ 0.0065542700000000, 0.0261811200000000, 0.0152530800000000 ] - [ -0.0000857400000000, 0.0008535000000000, 0.0006577300000000 ] - [ 0.0085131500000000, 0.0015053200000000, -0.0053509900000000 ] - [ -0.0012116800000000, 0.0004252300000000, -0.0015520200000000 ] - [ 0.0000000000000000, -0.1781199600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011234000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070826300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012141000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0485078000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004887100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0063161500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009245300000000, 0.0000000000000000 ] - [ 0.0010022700000000, 0.0078573800000000, 0.0009983900000000 ] - [ -0.0010022700000000, 0.0078573800000000, -0.0009983900000000 ] - [ 0.0005801900000000, 0.0050893900000000, 0.0000934300000000 ] - [ -0.0005801900000000, 0.0050893900000000, -0.0000934300000000 ] - [ -0.0149254800000000, -0.0077910500000000, 0.0051394300000000 ] - [ 0.0149254800000000, -0.0077910500000000, -0.0051394300000000 ] - [ -0.0000849100000000, -0.0045582000000000, -0.0016927600000000 ] - [ 0.0000849100000000, -0.0045582000000000, 0.0016927600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0067962800000000, 0.0042140900000000, -0.0010378700000000 ] - [ -0.0009062500000000, 0.0009848200000000, 0.0006137900000000 ] - [ 0.0019167100000000, 0.0047843900000000, 0.0059544100000000 ] - [ -0.0000572300000000, 0.0007908300000000, 0.0002176400000000 ] - [ -0.0019167100000000, 0.0047843900000000, -0.0059544100000000 ] - [ 0.0000572300000000, 0.0007908300000000, -0.0002176400000000 ] - [ -0.0067962800000000, 0.0042140900000000, 0.0010378700000000 ] - [ 0.0009062500000000, 0.0009848200000000, -0.0006137900000000 ] - [ -0.0019110800000000, -0.0069336100000000, -0.0051193700000000 ] - [ 0.0001474000000000, -0.0009578100000000, -0.0002914100000000 ] - [ 0.0051333800000000, -0.0167493900000000, -0.0068575200000000 ] - [ 0.0000098700000000, -0.0024176000000000, -0.0014139300000000 ] - [ -0.0051333800000000, -0.0167493900000000, 0.0068575200000000 ] - [ -0.0000098700000000, -0.0024176000000000, 0.0014139300000000 ] - [ 0.0019110800000000, -0.0069336100000000, 0.0051193700000000 ] - [ -0.0001474000000000, -0.0009578100000000, 0.0002914100000000 ] - [ 0.0022037300000000, -0.0006733900000000, -0.0001963600000000 ] - [ -0.0091494800000000, -0.0007902200000000, -0.0019127400000000 ] - [ 0.0091494800000000, -0.0007902200000000, 0.0019127400000000 ] - [ -0.0022037300000000, -0.0006733900000000, 0.0001963600000000 ] - [ 0.0022462600000000, -0.0006123400000000, -0.0037647100000000 ] - [ -0.0013971200000000, -0.0002257200000000, -0.0008718900000000 ] - [ -0.0051896900000000, -0.0297604300000000, -0.0141481900000000 ] - [ -0.0004649500000000, -0.0002846000000000, -0.0006894200000000 ] - [ 0.0051896900000000, -0.0297604300000000, 0.0141481900000000 ] - [ 0.0004649500000000, -0.0002846000000000, 0.0006894200000000 ] - [ -0.0022462600000000, -0.0006123400000000, 0.0037647100000000 ] - [ 0.0013971200000000, -0.0002257200000000, 0.0008718900000000 ] - [ -0.0105801000000000, -0.0205238300000000, -0.0110011000000000 ] - [ -0.0017361400000000, 0.0003168000000000, 0.0007921700000000 ] - [ 0.0010901500000000, -0.0024812000000000, -0.0015499100000000 ] - [ -0.0005378000000000, -0.0005208900000000, -0.0006479900000000 ] - [ -0.0010901500000000, -0.0024812000000000, 0.0015499100000000 ] - [ 0.0005378000000000, -0.0005208900000000, 0.0006479900000000 ] - [ 0.0105801000000000, -0.0205238300000000, 0.0110011000000000 ] - [ 0.0017361400000000, 0.0003168000000000, -0.0007921700000000 ] - [ -0.0011478600000000, 0.0032165900000000, 0.0016339700000000 ] - [ 0.0002014500000000, 0.0008841200000000, 0.0005214300000000 ] - [ 0.0012186100000000, 0.0128100700000000, 0.0027632900000000 ] - [ 0.0001716600000000, 0.0008147100000000, 0.0001144500000000 ] - [ -0.0012186100000000, 0.0128100700000000, -0.0027632900000000 ] - [ -0.0001716600000000, 0.0008147100000000, -0.0001144500000000 ] - [ 0.0011478600000000, 0.0032165900000000, -0.0016339700000000 ] - [ -0.0002014500000000, 0.0008841200000000, -0.0005214300000000 ] - [ -0.0049119300000000, 0.0061691200000000, 0.0065509500000000 ] - [ 0.0003840200000000, 0.0002018600000000, 0.0003105800000000 ] - [ 0.0049119300000000, 0.0061691200000000, -0.0065509500000000 ] - [ -0.0003840200000000, 0.0002018600000000, -0.0003105800000000 ] - [ 0.0026994000000000, 0.0036596300000000, 0.0056184200000000 ] - [ -0.0001989400000000, 0.0002665500000000, 0.0004051800000000 ] - [ 0.0028142200000000, 0.0024245900000000, -0.0014998000000000 ] - [ -0.0024828100000000, 0.0022409400000000, -0.0004616200000000 ] - [ -0.0028142200000000, 0.0024245900000000, 0.0014998000000000 ] - [ 0.0024828100000000, 0.0022409400000000, 0.0004616200000000 ] - [ -0.0026994000000000, 0.0036596300000000, -0.0056184200000000 ] - [ 0.0001989400000000, 0.0002665500000000, -0.0004051800000000 ] - [ 0.0138015400000000, 0.0003098200000000, 0.0252680000000000 ] - [ -0.0020626000000000, 0.0001260900000000, -0.0001411500000000 ] - [ 0.0129711400000000, 0.0012596900000000, -0.0061621900000000 ] - [ -0.0055949100000000, 0.0010855700000000, 0.0013893600000000 ] - [ -0.0129711400000000, 0.0012596900000000, 0.0061621900000000 ] - [ 0.0055949100000000, 0.0010855700000000, -0.0013893600000000 ] - [ -0.0138015400000000, 0.0003098200000000, -0.0252680000000000 ] - [ 0.0020626000000000, 0.0001260900000000, 0.0001411500000000 ] - [ 0.0078531100000000, -0.0015284000000000, -0.0057597700000000 ] - [ -0.0018024200000000, -0.0004298900000000, -0.0019902900000000 ] - [ 0.0058116400000000, -0.0262032700000000, 0.0147322000000000 ] - [ -0.0006697600000000, -0.0008648700000000, 0.0002313400000000 ] - [ -0.0058116400000000, -0.0262032700000000, -0.0147322000000000 ] - [ 0.0006697600000000, -0.0008648700000000, -0.0002313400000000 ] - [ -0.0078531100000000, -0.0015284000000000, 0.0057597700000000 ] - [ 0.0018024200000000, -0.0004298900000000, 0.0019902900000000 ] - [ 0.0000000000000000, 0.1805418000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020422100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0080117700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021313500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0500134000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014028800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0072160300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018415900000000, 0.0000000000000000 ] - [ -0.0010456000000000, -0.0069581300000000, -0.0010003200000000 ] - [ 0.0010456000000000, -0.0069581300000000, 0.0010003200000000 ] - [ -0.0005870500000000, -0.0041802200000000, -0.0000975800000000 ] - [ 0.0005870500000000, -0.0041802200000000, 0.0000975800000000 ] - [ 0.0149962900000000, 0.0067681400000000, -0.0051255400000000 ] - [ -0.0149962900000000, 0.0067681400000000, 0.0051255400000000 ] - [ 0.0000803700000000, 0.0036407800000000, 0.0017005000000000 ] - [ -0.0000803700000000, 0.0036407800000000, -0.0017005000000000 ]- atom: 73 displacement: [ -0.0020756950114625, 0.0000000000000000, 0.0097822027283935 ] forces: - [ 0.0011502600000000, 0.0068401800000000, 0.0035465200000000 ] - [ -0.0002085700000000, 0.0006720400000000, 0.0012480600000000 ] - [ -0.0001533100000000, -0.0030387800000000, -0.0045154800000000 ] - [ 0.0004581800000000, -0.0006196300000000, -0.0010187300000000 ] - [ -0.0003441500000000, 0.0033734600000000, -0.0047311300000000 ] - [ 0.0002896700000000, 0.0009296200000000, -0.0012386700000000 ] - [ 0.0009711000000000, -0.0065123900000000, 0.0033016500000000 ] - [ -0.0003784000000000, -0.0003598800000000, 0.0010211800000000 ] - [ -0.0022487000000000, -0.0011824400000000, -0.0090837700000000 ] - [ 0.0000099500000000, -0.0009166900000000, -0.0013241000000000 ] - [ -0.0110845700000000, 0.0031581500000000, 0.0176170800000000 ] - [ 0.0002649300000000, 0.0006117800000000, 0.0016188400000000 ] - [ -0.0118777000000000, -0.0036724600000000, 0.0182848600000000 ] - [ 0.0004420900000000, -0.0009348300000000, 0.0018542400000000 ] - [ -0.0020101800000000, 0.0008856200000000, -0.0087983100000000 ] - [ 0.0001735900000000, 0.0006081700000000, -0.0011051900000000 ] - [ 0.0056878700000000, 0.0020101600000000, -0.0031001900000000 ] - [ -0.0072116100000000, 0.0005018400000000, -0.0000765200000000 ] - [ -0.0071851200000000, -0.0004953500000000, -0.0000945300000000 ] - [ 0.0056878400000000, -0.0020213900000000, -0.0031210100000000 ] - [ 0.0007424700000000, 0.0029667200000000, -0.0084919300000000 ] - [ -0.0011576200000000, -0.0000675600000000, -0.0008023300000000 ] - [ 0.0036633100000000, 0.0139650600000000, 0.0226679900000000 ] - [ 0.0009209800000000, 0.0000205900000000, 0.0002432900000000 ] - [ 0.0040075300000000, -0.0147025800000000, 0.0234729500000000 ] - [ 0.0009972100000000, -0.0000210300000000, 0.0007514800000000 ] - [ 0.0007952200000000, -0.0029367800000000, -0.0079926400000000 ] - [ -0.0010831700000000, 0.0000687200000000, -0.0002979000000000 ] - [ 0.0032954400000000, 0.0094884200000000, 0.0153900500000000 ] - [ 0.0008272800000000, 0.0002025100000000, 0.0001669600000000 ] - [ 0.0024237300000000, -0.0000596400000000, -0.0043235500000000 ] - [ -0.0007580900000000, 0.0000864800000000, -0.0000585000000000 ] - [ 0.0022756100000000, 0.0003515100000000, -0.0045461400000000 ] - [ -0.0009339500000000, 0.0002169600000000, -0.0002707100000000 ] - [ 0.0029358100000000, -0.0089582100000000, 0.0150551700000000 ] - [ 0.0006669900000000, 0.0001119600000000, -0.0000644900000000 ] - [ 0.0014694400000000, -0.0015632500000000, -0.0027142200000000 ] - [ -0.0006462400000000, -0.0003258800000000, -0.0001898700000000 ] - [ -0.0007934500000000, 0.0036887800000000, 0.0028647700000000 ] - [ 0.0003806000000000, 0.0000259300000000, -0.0000009600000000 ] - [ -0.0006259100000000, -0.0039586100000000, 0.0030911700000000 ] - [ 0.0005521600000000, -0.0003340800000000, 0.0002267600000000 ] - [ 0.0016289600000000, 0.0012580800000000, -0.0024973500000000 ] - [ -0.0004722000000000, 0.0000144200000000, 0.0000324000000000 ] - [ 0.0019602000000000, -0.0052171400000000, -0.0032169800000000 ] - [ -0.0001376500000000, -0.0000250500000000, -0.0000278800000000 ] - [ 0.0019992500000000, 0.0051754500000000, -0.0032371200000000 ] - [ -0.0001413600000000, 0.0000266000000000, -0.0000339500000000 ] - [ -0.0019878900000000, -0.0014826800000000, -0.0031585600000000 ] - [ 0.0000260700000000, 0.0001311100000000, -0.0017146400000000 ] - [ 0.0018491000000000, 0.0016469800000000, 0.0011696600000000 ] - [ -0.0009607700000000, -0.0004935400000000, 0.0018048600000000 ] - [ 0.0019281100000000, -0.0016442500000000, 0.0017049000000000 ] - [ -0.0008683600000000, 0.0005083600000000, 0.0023179200000000 ] - [ -0.0019177500000000, 0.0014990400000000, -0.0027084400000000 ] - [ 0.0000882900000000, -0.0001349600000000, -0.0012239500000000 ] - [ 0.0117179500000000, -0.0092146900000000, 0.0169335000000000 ] - [ -0.0041881900000000, 0.0001765300000000, 0.0014751900000000 ] - [ -0.0132571900000000, 0.0175754300000000, 0.0119339200000000 ] - [ 0.0039116500000000, -0.0004295600000000, -0.0027191900000000 ] - [ -0.0128030300000000, -0.0176177400000000, 0.0123231200000000 ] - [ 0.0045073900000000, 0.0004389500000000, -0.0022981200000000 ] - [ 0.0121897900000000, 0.0090894500000000, 0.0173713900000000 ] - [ -0.0035959400000000, -0.0001810500000000, 0.0019185700000000 ] - [ -0.0075338300000000, 0.0032800700000000, 0.0038378000000000 ] - [ 0.0003824700000000, 0.0002566600000000, -0.0008273600000000 ] - [ 0.0059968400000000, -0.0127289300000000, 0.0048021400000000 ] - [ -0.0007264900000000, -0.0002938900000000, 0.0006528400000000 ] - [ 0.0066773800000000, 0.0126501400000000, 0.0051099000000000 ] - [ -0.0001466900000000, 0.0002878100000000, 0.0010719300000000 ] - [ -0.0069211500000000, -0.0032441500000000, 0.0043019200000000 ] - [ 0.0009769000000000, -0.0002572700000000, -0.0003740700000000 ] - [ 0.0210412300000000, 0.0012801500000000, -0.1184947300000000 ] - [ -0.0013101200000000, 0.0004585100000000, -0.0007797400000000 ] - [ -0.0045755700000000, 0.0004731200000000, 0.0173173800000000 ] - [ 0.0007808400000000, 0.0004581000000000, 0.0009061300000000 ] - [ -0.0031142900000000, -0.0004190300000000, -0.0202725500000000 ] - [ -0.0005607800000000, -0.0004598300000000, -0.0008292500000000 ] - [ -0.0011217800000000, -0.0004781000000000, 0.0081210800000000 ] - [ 0.0004882600000000, -0.0004630000000000, 0.0009024800000000 ] - [ -0.0001843800000000, -0.0003153900000000, -0.0039286400000000 ] - [ -0.0001960300000000, 0.0012145600000000, -0.0039153900000000 ] - [ 0.0008433300000000, 0.0004842400000000, 0.0032399200000000 ] - [ 0.0008522000000000, 0.0004174800000000, 0.0032339700000000 ] - [ -0.0042673300000000, 0.0076625300000000, -0.0129597700000000 ] - [ -0.0043858000000000, -0.0085927100000000, -0.0129029600000000 ] - [ 0.0015459300000000, -0.0020859300000000, 0.0055897700000000 ] - [ 0.0015939400000000, 0.0012119300000000, 0.0055858400000000 ]