# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/20be41cd-f287-4178-a8b9-bd4650ba78fc/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 Al2Se3 / Cc (9) / materials id 11674](https://mdr.nims.go.jp/datasets/a06fdf81-8899-44bc-914b-4f480e5731f2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.841206350000000, -3.351226090000000, -0.017203420000000 ] # a - [ 5.841206350000000, 3.351226090000000, -0.017203420000000 ] # b - [ -3.761171010000000, 0.000000000000000, 6.288740360000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.554667500000000, 0.363049120000000, 0.872120930000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.363049120000000, 0.554667500000000, 0.372120930000000 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.866225450000000, 0.733807330000000, 0.884358060000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.733807330000000, 0.866225450000000, 0.384358060000000 ] mass: 26.981539 - symbol: Se # 5 coordinates: [ 0.923274180000000, 0.091366540000000, 0.012943820000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.091366540000000, 0.923274180000000, 0.512943820000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.241672240000000, 0.403570460000000, 0.984995040000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.403570460000000, 0.241672240000000, 0.484995040000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.560687760000000, 0.761879420000000, 0.995582150000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.761879420000000, 0.560687760000000, 0.495582150000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.085749800949188, -0.149199124908937, 0.051285256980041 ] # a* - [ 0.085749800949188, 0.149199124908937, 0.051285256980041 ] # b* - [ 0.000469152725728, 0.000000000000000, 0.159294947204860 ] # c*unit_cell: lattice: - [ 11.682412700000000, 0.000000000000000, -0.034406840000000 ] # a - [ 0.000000000000000, 6.702452180000000, 0.000000000000000 ] # b - [ -3.761171010000000, 0.000000000000000, 6.288740360000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.958858310000000, 0.404190810000000, 0.872120930000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.958858310000000, 0.595809190000000, 0.372120930000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.800016390000000, 0.933790940000000, 0.884358060000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.800016390000000, 0.066209060000000, 0.384358060000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.458858310000000, 0.904190810000000, 0.872120930000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 6 coordinates: [ 0.458858310000000, 0.095809190000000, 0.372120930000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 7 coordinates: [ 0.300016390000000, 0.433790940000000, 0.884358060000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 8 coordinates: [ 0.300016390000000, 0.566209060000000, 0.384358060000000 ] mass: 26.981539 reduced_to: 4 - symbol: Se # 9 coordinates: [ 0.507320360000000, 0.584046180000000, 0.012943820000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.507320360000000, 0.415953820000000, 0.512943820000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.822621350000000, 0.580949110000000, 0.984995040000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.822621350000000, 0.419050890000000, 0.484995040000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.661283590000000, 0.100595830000000, 0.995582150000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.661283590000000, 0.899404170000000, 0.495582150000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.007320360000000, 0.084046180000000, 0.012943820000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 16 coordinates: [ 0.007320360000000, 0.915953820000000, 0.512943820000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 17 coordinates: [ 0.322621350000000, 0.080949110000000, 0.984995040000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 18 coordinates: [ 0.322621350000000, 0.919050890000000, 0.484995040000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 19 coordinates: [ 0.161283590000000, 0.600595830000000, 0.995582150000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 20 coordinates: [ 0.161283590000000, 0.399404170000000, 0.495582150000000 ] mass: 78.960000 reduced_to: 14supercell: lattice: - [ 11.682412700000000, 0.000000000000000, -0.034406840000000 ] # a - [ 0.000000000000000, 13.404904360000000, 0.000000000000000 ] # b - [ -7.522342020000000, 0.000000000000000, 12.577480720000001 ] # c points: - symbol: Al # 1 coordinates: [ 0.958858310000000, 0.202095405000000, 0.436060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.958858310000000, 0.702095405000000, 0.436060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.958858310000000, 0.202095405000000, 0.936060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.958858310000000, 0.702095405000000, 0.936060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 5 coordinates: [ 0.958858310000000, 0.297904595000000, 0.186060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.958858310000000, 0.797904595000000, 0.186060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 7 coordinates: [ 0.958858310000000, 0.297904595000000, 0.686060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 8 coordinates: [ 0.958858310000000, 0.797904595000000, 0.686060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 9 coordinates: [ 0.800016390000000, 0.466895470000000, 0.442179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.800016390000000, 0.966895470000000, 0.442179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.800016390000000, 0.466895470000000, 0.942179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 12 coordinates: [ 0.800016390000000, 0.966895470000000, 0.942179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 13 coordinates: [ 0.800016390000000, 0.033104530000000, 0.192179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.800016390000000, 0.533104530000000, 0.192179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 15 coordinates: [ 0.800016390000000, 0.033104530000000, 0.692179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 16 coordinates: [ 0.800016390000000, 0.533104530000000, 0.692179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 17 coordinates: [ 0.458858310000000, 0.452095405000000, 0.436060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 18 coordinates: [ 0.458858310000000, 0.952095405000000, 0.436060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 19 coordinates: [ 0.458858310000000, 0.452095405000000, 0.936060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 20 coordinates: [ 0.458858310000000, 0.952095405000000, 0.936060465000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 21 coordinates: [ 0.458858310000000, 0.047904595000000, 0.186060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 22 coordinates: [ 0.458858310000000, 0.547904595000000, 0.186060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 23 coordinates: [ 0.458858310000000, 0.047904595000000, 0.686060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 24 coordinates: [ 0.458858310000000, 0.547904595000000, 0.686060465000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 25 coordinates: [ 0.300016390000000, 0.216895470000000, 0.442179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 26 coordinates: [ 0.300016390000000, 0.716895470000000, 0.442179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 27 coordinates: [ 0.300016390000000, 0.216895470000000, 0.942179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 28 coordinates: [ 0.300016390000000, 0.716895470000000, 0.942179030000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 29 coordinates: [ 0.300016390000000, 0.283104530000000, 0.192179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 30 coordinates: [ 0.300016390000000, 0.783104530000000, 0.192179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 31 coordinates: [ 0.300016390000000, 0.283104530000000, 0.692179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 32 coordinates: [ 0.300016390000000, 0.783104530000000, 0.692179030000000 ] mass: 26.981539 reduced_to: 13 - symbol: Se # 33 coordinates: [ 0.507320360000000, 0.292023090000000, 0.006471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.507320360000000, 0.792023090000000, 0.006471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.507320360000000, 0.292023090000000, 0.506471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 36 coordinates: [ 0.507320360000000, 0.792023090000000, 0.506471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 37 coordinates: [ 0.507320360000000, 0.207976910000000, 0.256471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.507320360000000, 0.707976910000000, 0.256471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.507320360000000, 0.207976910000000, 0.756471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.507320360000000, 0.707976910000000, 0.756471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.822621350000000, 0.290474555000000, 0.492497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.822621350000000, 0.790474555000000, 0.492497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.822621350000000, 0.290474555000000, 0.992497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 44 coordinates: [ 0.822621350000000, 0.790474555000000, 0.992497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 45 coordinates: [ 0.822621350000000, 0.209525445000000, 0.242497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.822621350000000, 0.709525445000000, 0.242497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 47 coordinates: [ 0.822621350000000, 0.209525445000000, 0.742497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 48 coordinates: [ 0.822621350000000, 0.709525445000000, 0.742497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 49 coordinates: [ 0.661283590000000, 0.050297915000000, 0.497791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.661283590000000, 0.550297915000000, 0.497791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.661283590000000, 0.050297915000000, 0.997791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.661283590000000, 0.550297915000000, 0.997791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.661283590000000, 0.449702085000000, 0.247791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.661283590000000, 0.949702085000000, 0.247791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 55 coordinates: [ 0.661283590000000, 0.449702085000000, 0.747791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 56 coordinates: [ 0.661283590000000, 0.949702085000000, 0.747791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 57 coordinates: [ 0.007320360000000, 0.042023090000000, 0.006471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 58 coordinates: [ 0.007320360000000, 0.542023090000000, 0.006471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 59 coordinates: [ 0.007320360000000, 0.042023090000000, 0.506471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 60 coordinates: [ 0.007320360000000, 0.542023090000000, 0.506471910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 61 coordinates: [ 0.007320360000000, 0.457976910000000, 0.256471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 62 coordinates: [ 0.007320360000000, 0.957976910000000, 0.256471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 63 coordinates: [ 0.007320360000000, 0.457976910000000, 0.756471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 64 coordinates: [ 0.007320360000000, 0.957976910000000, 0.756471910000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 65 coordinates: [ 0.322621350000000, 0.040474555000000, 0.492497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.322621350000000, 0.540474555000000, 0.492497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 67 coordinates: [ 0.322621350000000, 0.040474555000000, 0.992497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 68 coordinates: [ 0.322621350000000, 0.540474555000000, 0.992497520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 69 coordinates: [ 0.322621350000000, 0.459525445000000, 0.242497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.322621350000000, 0.959525445000000, 0.242497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 71 coordinates: [ 0.322621350000000, 0.459525445000000, 0.742497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 72 coordinates: [ 0.322621350000000, 0.959525445000000, 0.742497520000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 73 coordinates: [ 0.161283590000000, 0.300297915000000, 0.497791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.161283590000000, 0.800297915000000, 0.497791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 75 coordinates: [ 0.161283590000000, 0.300297915000000, 0.997791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 76 coordinates: [ 0.161283590000000, 0.800297915000000, 0.997791075000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 77 coordinates: [ 0.161283590000000, 0.199702085000000, 0.247791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.161283590000000, 0.699702085000000, 0.247791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 79 coordinates: [ 0.161283590000000, 0.199702085000000, 0.747791075000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 80 coordinates: [ 0.161283590000000, 0.699702085000000, 0.747791075000000 ] mass: 78.960000 reduced_to: 53born_effective_charge:- # 1 (Al) - [ 2.401512250000000, 0.524141220000000, -0.315200870000000 ] - [ -0.459410700000000, 2.504304200000000, 0.085832800000000 ] - [ 0.009268050000000, 0.354715720000000, 2.540665840000000 ]- # 2 (Al) - [ 2.401512250000000, -0.524141220000000, -0.315200870000000 ] - [ 0.459410700000000, 2.504304200000000, -0.085832800000000 ] - [ 0.009268050000000, -0.354715720000000, 2.540665840000000 ]- # 3 (Al) - [ 2.489707890000000, -0.360717700000000, 0.029330280000000 ] - [ 0.595815980000000, 2.461458230000000, -0.262143350000000 ] - [ -0.231114270000000, -0.138272550000000, 2.659068790000000 ]- # 4 (Al) - [ 2.489707890000000, 0.360717700000000, 0.029330280000000 ] - [ -0.595815980000000, 2.461458230000000, 0.262143350000000 ] - [ -0.231114270000000, 0.138272550000000, 2.659068790000000 ]- # 5 (Se) - [ -1.515996820000000, -0.600717710000000, -0.152114050000000 ] - [ -0.569208300000000, -2.146988120000000, 0.060800870000000 ] - [ -0.165251680000000, -0.029450170000000, -1.198739460000000 ]- # 6 (Se) - [ -1.515996820000000, 0.600717710000000, -0.152114050000000 ] - [ 0.569208300000000, -2.146988120000000, -0.060800870000000 ] - [ -0.165251680000000, 0.029450170000000, -1.198739460000000 ]- # 7 (Se) - [ -1.238882910000000, 0.598127340000000, 0.490090260000000 ] - [ 0.498035220000000, -1.930607910000000, 0.130591910000000 ] - [ 0.371780470000000, 0.129049760000000, -1.985249770000000 ]- # 8 (Se) - [ -1.238882910000000, -0.598127340000000, 0.490090260000000 ] - [ -0.498035220000000, -1.930607910000000, -0.130591910000000 ] - [ 0.371780470000000, -0.129049760000000, -1.985249770000000 ]- # 9 (Se) - [ -2.136340410000000, -0.124638970000000, -0.052105610000000 ] - [ -0.048072850000000, -0.888166410000000, -0.423352830000000 ] - [ 0.015317420000000, -0.439238260000000, -2.015745400000000 ]- # 10 (Se) - [ -2.136340410000000, 0.124638970000000, -0.052105610000000 ] - [ 0.048072850000000, -0.888166410000000, 0.423352830000000 ] - [ 0.015317420000000, 0.439238260000000, -2.015745400000000 ]dielectric_constant: - [ 6.453835120000000, 0.000000000000000, -0.120328710000000 ] - [ 0.000000000000000, 6.443639760000000, 0.000000000000000 ] - [ -0.120460370000000, 0.000000000000000, 6.670610600000000 ]displacements:- atom: 1 displacement: [ 0.0099999566297759, 0.0000000000000000, -0.0000294516994565 ] forces: - [ -0.0849982100000000, -0.0072898700000000, -0.0029085800000000 ] - [ 0.0037164200000000, -0.0044240600000000, 0.0026731900000000 ] - [ 0.0025257800000000, -0.0033629300000000, 0.0010428800000000 ] - [ 0.0030045700000000, -0.0036323900000000, 0.0020662000000000 ] - [ 0.0014496900000000, 0.0027793300000000, -0.0010595900000000 ] - [ 0.0028114000000000, 0.0032932700000000, 0.0022875800000000 ] - [ 0.0014360300000000, 0.0057694900000000, -0.0078019800000000 ] - [ 0.0028110200000000, 0.0032080400000000, 0.0024727600000000 ] - [ -0.0038793700000000, -0.0150151000000000, 0.0008660300000000 ] - [ -0.0032094500000000, -0.0032797900000000, -0.0052742500000000 ] - [ -0.0024538200000000, -0.0061554800000000, -0.0036374300000000 ] - [ -0.0025953900000000, -0.0059556800000000, -0.0032253500000000 ] - [ -0.0022492100000000, 0.0053851800000000, -0.0037902800000000 ] - [ -0.0044053100000000, 0.0059090500000000, -0.0031134600000000 ] - [ -0.0026855900000000, 0.0069499200000000, -0.0035878600000000 ] - [ -0.0012241100000000, 0.0050480000000000, -0.0041338000000000 ] - [ 0.0046087000000000, -0.0023206800000000, 0.0022465800000000 ] - [ 0.0046086200000000, -0.0038682000000000, 0.0018041400000000 ] - [ 0.0029092500000000, -0.0036406000000000, 0.0037945800000000 ] - [ 0.0029076400000000, -0.0036089300000000, 0.0021867200000000 ] - [ 0.0028450400000000, 0.0039626200000000, 0.0024134800000000 ] - [ 0.0040232100000000, 0.0032051600000000, 0.0024649500000000 ] - [ 0.0028429700000000, 0.0020130600000000, 0.0028742200000000 ] - [ 0.0040247500000000, 0.0039856600000000, 0.0024136400000000 ] - [ 0.0067208800000000, -0.0083786000000000, -0.0059771500000000 ] - [ -0.0032907200000000, -0.0054152600000000, -0.0035303600000000 ] - [ -0.0025107800000000, -0.0062408600000000, -0.0032871700000000 ] - [ -0.0027560200000000, -0.0059517400000000, -0.0034302800000000 ] - [ -0.0011138300000000, 0.0062141700000000, -0.0036922500000000 ] - [ -0.0025328700000000, 0.0058476800000000, -0.0033984000000000 ] - [ -0.0040603700000000, 0.0047469500000000, 0.0073461300000000 ] - [ -0.0029626100000000, 0.0059911300000000, -0.0036643500000000 ] - [ 0.0001548400000000, 0.0092019500000000, 0.0004978200000000 ] - [ -0.0001910700000000, 0.0092257200000000, 0.0004962800000000 ] - [ -0.0022672800000000, 0.0082585900000000, 0.0004168500000000 ] - [ -0.0007136500000000, 0.0094712100000000, 0.0005032500000000 ] - [ -0.0003948200000000, -0.0091330900000000, 0.0007190800000000 ] - [ -0.0004822100000000, -0.0090362400000000, 0.0003951700000000 ] - [ -0.0012583100000000, -0.0078648500000000, -0.0012452800000000 ] - [ -0.0002611500000000, -0.0095413000000000, 0.0004819700000000 ] - [ 0.0346390600000000, -0.0098803200000000, -0.0130040700000000 ] - [ -0.0046229200000000, 0.0072688000000000, -0.0035614900000000 ] - [ -0.0042689100000000, 0.0067408000000000, -0.0037414900000000 ] - [ -0.0048938900000000, 0.0063109900000000, -0.0034906200000000 ] - [ 0.0008313300000000, -0.0043026600000000, 0.0026793700000000 ] - [ -0.0046255600000000, -0.0060698400000000, -0.0037824800000000 ] - [ -0.0051025500000000, -0.0071926600000000, -0.0019200100000000 ] - [ -0.0048375400000000, -0.0058739900000000, -0.0033477700000000 ] - [ 0.0046887100000000, -0.0139546500000000, 0.0041482400000000 ] - [ 0.0028306000000000, -0.0122201400000000, 0.0043671000000000 ] - [ 0.0046385500000000, -0.0139705000000000, 0.0040969300000000 ] - [ 0.0049956900000000, -0.0139589200000000, 0.0038516000000000 ] - [ 0.0049620200000000, 0.0148216300000000, 0.0031693000000000 ] - [ 0.0051129800000000, 0.0138534900000000, 0.0040273800000000 ] - [ 0.0042612700000000, 0.0140960500000000, 0.0042043200000000 ] - [ 0.0043900600000000, 0.0139847400000000, 0.0041086600000000 ] - [ -0.0001494300000000, 0.0090244500000000, 0.0007978100000000 ] - [ -0.0004892900000000, 0.0093285400000000, 0.0007401800000000 ] - [ 0.0061459800000000, 0.0057950600000000, 0.0046482500000000 ] - [ 0.0004305100000000, 0.0114582100000000, 0.0001824900000000 ] - [ 0.0005698500000000, -0.0097406900000000, 0.0009568000000000 ] - [ -0.0001368400000000, -0.0092577700000000, 0.0003673100000000 ] - [ -0.0005582800000000, -0.0075172900000000, 0.0028884100000000 ] - [ 0.0001148100000000, -0.0091362100000000, 0.0001030700000000 ] - [ -0.0063730600000000, 0.0076305400000000, -0.0033147500000000 ] - [ -0.0049140500000000, 0.0055743000000000, -0.0033078900000000 ] - [ -0.0047656600000000, 0.0061483900000000, -0.0036404400000000 ] - [ -0.0048331500000000, 0.0061204900000000, -0.0040418800000000 ] - [ -0.0052440100000000, -0.0064530700000000, -0.0035040400000000 ] - [ -0.0050441500000000, -0.0062750000000000, -0.0034033100000000 ] - [ -0.0052746700000000, -0.0070050800000000, -0.0057928200000000 ] - [ -0.0046294100000000, -0.0059026700000000, -0.0034807200000000 ] - [ 0.0364940600000000, 0.0104863400000000, 0.0117026100000000 ] - [ 0.0053492100000000, -0.0137702700000000, 0.0041315200000000 ] - [ 0.0046170400000000, -0.0138878300000000, 0.0042183700000000 ] - [ 0.0048268300000000, -0.0139290500000000, 0.0042406700000000 ] - [ 0.0036932700000000, 0.0136720100000000, 0.0053760300000000 ] - [ 0.0048541500000000, 0.0139224000000000, 0.0042563900000000 ] - [ 0.0064389900000000, 0.0137615300000000, 0.0041897200000000 ] - [ 0.0049737200000000, 0.0139493200000000, 0.0041755800000000 ]- atom: 1 displacement: [ -0.0099999566297759, 0.0000000000000000, 0.0000294516994565 ] forces: - [ 0.0909642700000000, -0.0020330800000000, 0.0061345500000000 ] - [ 0.0021113300000000, -0.0025597400000000, 0.0018107600000000 ] - [ 0.0033025300000000, -0.0036298300000000, 0.0034444300000000 ] - [ 0.0028266800000000, -0.0033590100000000, 0.0024209900000000 ] - [ 0.0043532200000000, 0.0042123400000000, 0.0055423700000000 ] - [ 0.0030226800000000, 0.0037013000000000, 0.0022006800000000 ] - [ 0.0043791000000000, 0.0012141900000000, 0.0123023000000000 ] - [ 0.0030212100000000, 0.0037858600000000, 0.0020118100000000 ] - [ -0.0015688700000000, 0.0031427300000000, -0.0076617600000000 ] - [ -0.0021841600000000, -0.0086181600000000, -0.0015119100000000 ] - [ -0.0029677800000000, -0.0057325700000000, -0.0031472900000000 ] - [ -0.0028301700000000, -0.0059275100000000, -0.0035563200000000 ] - [ -0.0031726000000000, 0.0065289600000000, -0.0029852800000000 ] - [ -0.0010135400000000, 0.0059735100000000, -0.0036708900000000 ] - [ -0.0027334300000000, 0.0049347000000000, -0.0031908600000000 ] - [ -0.0042054100000000, 0.0068391000000000, -0.0026577300000000 ] - [ 0.0012238300000000, -0.0046760200000000, 0.0022448800000000 ] - [ 0.0012260700000000, -0.0031310500000000, 0.0026767200000000 ] - [ 0.0029214300000000, -0.0033534900000000, 0.0006946400000000 ] - [ 0.0029292600000000, -0.0033820400000000, 0.0023016100000000 ] - [ 0.0029916800000000, 0.0030221900000000, 0.0020711900000000 ] - [ 0.0018064900000000, 0.0037883000000000, 0.0020234300000000 ] - [ 0.0029871300000000, 0.0049784200000000, 0.0016217100000000 ] - [ 0.0018083500000000, 0.0030059200000000, 0.0020692600000000 ] - [ -0.0120922900000000, -0.0034687000000000, -0.0007911500000000 ] - [ -0.0021310200000000, -0.0064745000000000, -0.0032537000000000 ] - [ -0.0029088200000000, -0.0056431700000000, -0.0034995300000000 ] - [ -0.0026649400000000, -0.0059325600000000, -0.0033531600000000 ] - [ -0.0043061200000000, 0.0056796500000000, -0.0030918900000000 ] - [ -0.0028888500000000, 0.0060351800000000, -0.0033861200000000 ] - [ -0.0013458900000000, 0.0071440200000000, -0.0141155400000000 ] - [ -0.0024591300000000, 0.0058943500000000, -0.0031195800000000 ] - [ -0.0005594000000000, 0.0092456600000000, 0.0005190300000000 ] - [ -0.0002154400000000, 0.0092216300000000, 0.0005181900000000 ] - [ 0.0018785800000000, 0.0101827300000000, 0.0005949700000000 ] - [ 0.0003104200000000, 0.0089821800000000, 0.0005120600000000 ] - [ -0.0000073500000000, -0.0093162700000000, 0.0002966200000000 ] - [ 0.0000762700000000, -0.0094119400000000, 0.0006197600000000 ] - [ 0.0008515300000000, -0.0105852400000000, 0.0022568400000000 ] - [ -0.0001450000000000, -0.0089071500000000, 0.0005335000000000 ] - [ -0.0455719600000000, 0.0232734100000000, 0.0065095600000000 ] - [ -0.0050398200000000, 0.0051384600000000, -0.0035220600000000 ] - [ -0.0053859000000000, 0.0056771800000000, -0.0033479200000000 ] - [ -0.0047655600000000, 0.0061048400000000, -0.0035950400000000 ] - [ -0.0104317700000000, -0.0081236300000000, -0.0095202400000000 ] - [ -0.0050348100000000, -0.0063476500000000, -0.0033016600000000 ] - [ -0.0045566500000000, -0.0052239100000000, -0.0051670400000000 ] - [ -0.0048218300000000, -0.0065435600000000, -0.0037365800000000 ] - [ 0.0049626800000000, -0.0139294200000000, 0.0042187700000000 ] - [ 0.0068201800000000, -0.0156547400000000, 0.0040022800000000 ] - [ 0.0050162000000000, -0.0139219700000000, 0.0042639800000000 ] - [ 0.0046586900000000, -0.0139270600000000, 0.0045154700000000 ] - [ 0.0046938100000000, 0.0130605400000000, 0.0052020500000000 ] - [ 0.0045329500000000, 0.0140332400000000, 0.0043364800000000 ] - [ 0.0053941600000000, 0.0137898900000000, 0.0041626000000000 ] - [ 0.0052659300000000, 0.0139024300000000, 0.0042536100000000 ] - [ -0.0002548700000000, 0.0094236100000000, 0.0002176800000000 ] - [ 0.0000853900000000, 0.0091192400000000, 0.0002734300000000 ] - [ -0.0065927700000000, 0.0130508700000000, -0.0037676900000000 ] - [ -0.0008347200000000, 0.0069703600000000, 0.0008391500000000 ] - [ -0.0009703800000000, -0.0087049100000000, 0.0000607100000000 ] - [ -0.0002668400000000, -0.0091960800000000, 0.0006461000000000 ] - [ 0.0001615000000000, -0.0109376900000000, -0.0018811600000000 ] - [ -0.0005226200000000, -0.0093118300000000, 0.0009122200000000 ] - [ -0.0032956200000000, 0.0047886300000000, -0.0037708400000000 ] - [ -0.0047467300000000, 0.0068452900000000, -0.0037772700000000 ] - [ -0.0048958700000000, 0.0062693500000000, -0.0034438500000000 ] - [ -0.0048263900000000, 0.0062961800000000, -0.0030429200000000 ] - [ -0.0044161200000000, -0.0059650800000000, -0.0035825400000000 ] - [ -0.0046164800000000, -0.0061391800000000, -0.0036801700000000 ] - [ -0.0043875600000000, -0.0054117600000000, -0.0012971100000000 ] - [ -0.0050317900000000, -0.0065132500000000, -0.0036080200000000 ] - [ -0.0257440800000000, -0.0374267400000000, -0.0027772100000000 ] - [ 0.0043045300000000, -0.0141151600000000, 0.0042355000000000 ] - [ 0.0050377700000000, -0.0139987900000000, 0.0041524400000000 ] - [ 0.0048281800000000, -0.0139571400000000, 0.0041262800000000 ] - [ 0.0059579200000000, 0.0142085600000000, 0.0029920300000000 ] - [ 0.0048019700000000, 0.0139640500000000, 0.0041100400000000 ] - [ 0.0032159000000000, 0.0141252500000000, 0.0041678700000000 ] - [ 0.0046814600000000, 0.0139372600000000, 0.0041914800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002740900000000, -0.1267542400000000, 0.0186096900000000 ] - [ 0.0019835800000000, -0.0010136300000000, 0.0021949000000000 ] - [ 0.0030514600000000, -0.0034979200000000, 0.0030250200000000 ] - [ 0.0027791900000000, -0.0029280700000000, 0.0020980600000000 ] - [ 0.0006284800000000, 0.0029106900000000, 0.0008335600000000 ] - [ 0.0032058000000000, 0.0048231600000000, 0.0023764200000000 ] - [ 0.0036521600000000, 0.0029317000000000, 0.0092473200000000 ] - [ 0.0031173500000000, 0.0048255800000000, 0.0011918500000000 ] - [ -0.0046632800000000, -0.0002216100000000, -0.0042437400000000 ] - [ 0.0083771500000000, 0.0016526000000000, 0.0004738400000000 ] - [ -0.0025758400000000, -0.0061044000000000, -0.0033498000000000 ] - [ -0.0026036100000000, -0.0062466900000000, -0.0032576800000000 ] - [ -0.0032018600000000, 0.0034293200000000, 0.0016415200000000 ] - [ -0.0027628000000000, 0.0067903600000000, -0.0036155900000000 ] - [ -0.0014779600000000, 0.0044734800000000, -0.0047965500000000 ] - [ -0.0033735000000000, 0.0070244200000000, -0.0032113600000000 ] - [ 0.0025481500000000, -0.0020383900000000, 0.0018328500000000 ] - [ 0.0040936500000000, -0.0020437600000000, 0.0027622600000000 ] - [ 0.0028034500000000, -0.0038245200000000, 0.0027774000000000 ] - [ 0.0027720400000000, -0.0038233000000000, 0.0018591700000000 ] - [ 0.0043969600000000, 0.0017408400000000, 0.0026980300000000 ] - [ 0.0024242500000000, 0.0042758100000000, 0.0022580800000000 ] - [ 0.0024440200000000, 0.0017362800000000, 0.0015661200000000 ] - [ 0.0032065900000000, 0.0042734300000000, 0.0021942100000000 ] - [ 0.0004693700000000, -0.0111634900000000, -0.0068097900000000 ] - [ -0.0031838800000000, -0.0053110700000000, -0.0033044300000000 ] - [ -0.0026302700000000, -0.0058468600000000, -0.0028616300000000 ] - [ -0.0025121500000000, -0.0054203500000000, -0.0035532100000000 ] - [ -0.0022348100000000, 0.0060723200000000, -0.0035553600000000 ] - [ -0.0028775600000000, 0.0061523200000000, -0.0034872500000000 ] - [ -0.0039851000000000, 0.0058946800000000, 0.0020727300000000 ] - [ -0.0029531700000000, 0.0064267500000000, -0.0037799200000000 ] - [ -0.0001741800000000, 0.0093837700000000, 0.0004275100000000 ] - [ -0.0003862700000000, 0.0088228700000000, 0.0004603500000000 ] - [ -0.0018636000000000, 0.0089994800000000, 0.0010489500000000 ] - [ -0.0003616000000000, 0.0089953000000000, 0.0005119100000000 ] - [ -0.0006321200000000, -0.0085322700000000, 0.0003492700000000 ] - [ 0.0000239800000000, -0.0097024700000000, 0.0005784200000000 ] - [ -0.0011439000000000, -0.0076638500000000, -0.0008644000000000 ] - [ -0.0000284800000000, -0.0097745800000000, 0.0005768600000000 ] - [ -0.0234944200000000, 0.0194942100000000, -0.0013784000000000 ] - [ -0.0050188600000000, 0.0032979300000000, -0.0030785200000000 ] - [ -0.0043334200000000, 0.0062921100000000, -0.0040127800000000 ] - [ -0.0047661100000000, 0.0059029100000000, -0.0038871300000000 ] - [ -0.0023003900000000, 0.0023811200000000, -0.0078110100000000 ] - [ -0.0049832800000000, -0.0070132100000000, -0.0035617500000000 ] - [ -0.0043398600000000, -0.0052499500000000, -0.0048725700000000 ] - [ -0.0049547200000000, -0.0068529800000000, -0.0033964100000000 ] - [ 0.0021870600000000, -0.0149932500000000, 0.0042512900000000 ] - [ 0.0047780000000000, -0.0143942300000000, 0.0040074300000000 ] - [ 0.0050719600000000, -0.0130482900000000, 0.0047595700000000 ] - [ 0.0047933400000000, -0.0139204900000000, 0.0041654500000000 ] - [ 0.0050337700000000, 0.0132611900000000, 0.0046790300000000 ] - [ 0.0030045900000000, 0.0144659800000000, 0.0014815000000000 ] - [ 0.0048307900000000, 0.0138144700000000, 0.0041612800000000 ] - [ 0.0045997000000000, 0.0143730000000000, 0.0044981800000000 ] - [ -0.0001212800000000, 0.0098950000000000, 0.0004186400000000 ] - [ -0.0002617600000000, 0.0088374600000000, 0.0004912900000000 ] - [ -0.0066983700000000, 0.0829516200000000, -0.0323493600000000 ] - [ -0.0005388500000000, 0.0069577100000000, 0.0009071300000000 ] - [ 0.0000842200000000, -0.0093843700000000, 0.0010955800000000 ] - [ 0.0000483700000000, -0.0099516400000000, -0.0000324500000000 ] - [ 0.0001046900000000, -0.0102422700000000, -0.0003969600000000 ] - [ -0.0011707600000000, -0.0098959800000000, 0.0017215600000000 ] - [ -0.0063999500000000, 0.0072923000000000, -0.0033749100000000 ] - [ -0.0042642800000000, 0.0057322500000000, -0.0035368600000000 ] - [ -0.0050977700000000, 0.0068105300000000, -0.0039425200000000 ] - [ -0.0046682800000000, 0.0058784900000000, -0.0035176600000000 ] - [ -0.0048952700000000, -0.0063838100000000, -0.0033162900000000 ] - [ -0.0050954100000000, -0.0063290100000000, -0.0036556100000000 ] - [ -0.0048853500000000, -0.0066715400000000, -0.0043589700000000 ] - [ -0.0049111400000000, -0.0057753600000000, -0.0032078700000000 ] - [ 0.0282630000000000, 0.0097715400000000, 0.0136842400000000 ] - [ 0.0050705300000000, -0.0141951700000000, 0.0039552200000000 ] - [ 0.0046884700000000, -0.0139340500000000, 0.0042876600000000 ] - [ 0.0048318400000000, -0.0140573200000000, 0.0041735100000000 ] - [ 0.0045123000000000, 0.0140444400000000, 0.0050658500000000 ] - [ 0.0049952500000000, 0.0137810900000000, 0.0042914100000000 ] - [ 0.0047452500000000, 0.0135413900000000, 0.0021244700000000 ] - [ 0.0049306200000000, 0.0137925100000000, 0.0044921600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054280000000000, 0.1226394900000000, -0.0162895600000000 ] - [ 0.0038480900000000, -0.0059723800000000, 0.0022913700000000 ] - [ 0.0027799000000000, -0.0034913600000000, 0.0014642800000000 ] - [ 0.0030534700000000, -0.0040654900000000, 0.0023886600000000 ] - [ 0.0051921500000000, 0.0040517800000000, 0.0036530600000000 ] - [ 0.0026272400000000, 0.0021616700000000, 0.0021100000000000 ] - [ 0.0021780200000000, 0.0040726800000000, -0.0047731900000000 ] - [ 0.0027155100000000, 0.0021641900000000, 0.0032925300000000 ] - [ -0.0007994400000000, -0.0116632200000000, -0.0025217900000000 ] - [ -0.0138205900000000, -0.0136047800000000, -0.0072454100000000 ] - [ -0.0028454900000000, -0.0057844900000000, -0.0034375900000000 ] - [ -0.0028183500000000, -0.0056373700000000, -0.0035264400000000 ] - [ -0.0022162300000000, 0.0084737600000000, -0.0084446000000000 ] - [ -0.0026637300000000, 0.0050960300000000, -0.0031746200000000 ] - [ -0.0039445700000000, 0.0074134600000000, -0.0019792000000000 ] - [ -0.0020462800000000, 0.0048560800000000, -0.0035783800000000 ] - [ 0.0032876700000000, -0.0049543400000000, 0.0026579800000000 ] - [ 0.0017352600000000, -0.0049597600000000, 0.0017188800000000 ] - [ 0.0030270500000000, -0.0031686100000000, 0.0017057600000000 ] - [ 0.0030611500000000, -0.0031672700000000, 0.0026294000000000 ] - [ 0.0014286400000000, 0.0052609400000000, 0.0017860300000000 ] - [ 0.0034038800000000, 0.0027167900000000, 0.0022277300000000 ] - [ 0.0033883200000000, 0.0052564000000000, 0.0029273500000000 ] - [ 0.0026237300000000, 0.0027144000000000, 0.0022918500000000 ] - [ -0.0058959400000000, -0.0007025600000000, 0.0000166900000000 ] - [ -0.0022384700000000, -0.0065794100000000, -0.0034778600000000 ] - [ -0.0027911200000000, -0.0060369900000000, -0.0039256800000000 ] - [ -0.0029104900000000, -0.0064674800000000, -0.0032302500000000 ] - [ -0.0031889400000000, 0.0058095500000000, -0.0032275900000000 ] - [ -0.0025432300000000, 0.0057308400000000, -0.0032975200000000 ] - [ -0.0014380000000000, 0.0060073800000000, -0.0088726600000000 ] - [ -0.0024685100000000, 0.0054574600000000, -0.0030054000000000 ] - [ -0.0002292100000000, 0.0090639300000000, 0.0005896900000000 ] - [ -0.0000179000000000, 0.0096259600000000, 0.0005558800000000 ] - [ 0.0014629300000000, 0.0094418200000000, -0.0000339300000000 ] - [ -0.0000413200000000, 0.0094574000000000, 0.0005030200000000 ] - [ 0.0002310000000000, -0.0099174300000000, 0.0006680300000000 ] - [ -0.0004291300000000, -0.0087441100000000, 0.0004377400000000 ] - [ 0.0007390000000000, -0.0107880200000000, 0.0018758800000000 ] - [ -0.0003770700000000, -0.0086710400000000, 0.0004386000000000 ] - [ 0.0134157400000000, -0.0069770700000000, -0.0055534100000000 ] - [ -0.0046477800000000, 0.0091048600000000, -0.0040099400000000 ] - [ -0.0053233900000000, 0.0061284500000000, -0.0030775500000000 ] - [ -0.0048953800000000, 0.0065141700000000, -0.0031964900000000 ] - [ -0.0073471600000000, -0.0148401400000000, 0.0009727500000000 ] - [ -0.0046771800000000, -0.0054029400000000, -0.0035229200000000 ] - [ -0.0053213800000000, -0.0071699100000000, -0.0022172100000000 ] - [ -0.0047052500000000, -0.0055610100000000, -0.0036877400000000 ] - [ 0.0074868200000000, -0.0128786300000000, 0.0041171400000000 ] - [ 0.0048675200000000, -0.0134772800000000, 0.0043604000000000 ] - [ 0.0045825800000000, -0.0148398000000000, 0.0036056900000000 ] - [ 0.0048628600000000, -0.0139640800000000, 0.0042040700000000 ] - [ 0.0046263500000000, 0.0146230700000000, 0.0036870800000000 ] - [ 0.0066599000000000, 0.0134172300000000, 0.0068980000000000 ] - [ 0.0048237300000000, 0.0140716300000000, 0.0042055100000000 ] - [ 0.0050558600000000, 0.0135119600000000, 0.0038656400000000 ] - [ -0.0002840300000000, 0.0085502600000000, 0.0005970800000000 ] - [ -0.0001432600000000, 0.0096108400000000, 0.0005254400000000 ] - [ 0.0063217600000000, -0.0675566900000000, 0.0348799700000000 ] - [ 0.0001358000000000, 0.0114852400000000, 0.0001098200000000 ] - [ -0.0004926800000000, -0.0090638700000000, -0.0000719800000000 ] - [ -0.0004541100000000, -0.0084919000000000, 0.0010518700000000 ] - [ -0.0005082900000000, -0.0082019000000000, 0.0014178100000000 ] - [ 0.0007659500000000, -0.0085452800000000, -0.0007103600000000 ] - [ -0.0032642400000000, 0.0051271700000000, -0.0037084500000000 ] - [ -0.0053969300000000, 0.0066869700000000, -0.0035494700000000 ] - [ -0.0045619700000000, 0.0056028300000000, -0.0031411300000000 ] - [ -0.0049924900000000, 0.0065386900000000, -0.0035659100000000 ] - [ -0.0047641200000000, -0.0060319000000000, -0.0037702200000000 ] - [ -0.0045646800000000, -0.0060868600000000, -0.0034285700000000 ] - [ -0.0047746800000000, -0.0057422600000000, -0.0027192600000000 ] - [ -0.0047519200000000, -0.0066393300000000, -0.0038833900000000 ] - [ -0.0180350000000000, -0.0375131000000000, -0.0050462400000000 ] - [ 0.0045843200000000, -0.0136888200000000, 0.0044117000000000 ] - [ 0.0049665200000000, -0.0139519200000000, 0.0040791400000000 ] - [ 0.0048231700000000, -0.0138273300000000, 0.0041931700000000 ] - [ 0.0051456600000000, 0.0138438100000000, 0.0033021000000000 ] - [ 0.0046593800000000, 0.0141051800000000, 0.0040744200000000 ] - [ 0.0049104700000000, 0.0143411100000000, 0.0062388900000000 ] - [ 0.0047245400000000, 0.0140926400000000, 0.0038738400000000 ]- atom: 1 displacement: [ -0.0051328375665862, 0.0000000000000000, 0.0085821896107603 ] forces: - [ 0.0445642000000000, 0.0125320900000000, -0.0772740800000000 ] - [ 0.0028677300000000, -0.0030565800000000, 0.0009625300000000 ] - [ 0.0020862100000000, -0.0028950900000000, 0.0036445600000000 ] - [ 0.0027201800000000, -0.0035504400000000, 0.0029009700000000 ] - [ -0.0049402000000000, -0.0021344100000000, 0.0067998700000000 ] - [ 0.0031691800000000, 0.0044958700000000, 0.0028456400000000 ] - [ 0.0008278700000000, 0.0035493800000000, 0.0102967700000000 ] - [ 0.0030096700000000, 0.0035295800000000, 0.0027484000000000 ] - [ -0.0009229400000000, 0.0023591500000000, -0.0078568200000000 ] - [ -0.0065781800000000, -0.0078474300000000, -0.0050988800000000 ] - [ -0.0026655100000000, -0.0070725200000000, -0.0026899600000000 ] - [ -0.0037967200000000, -0.0055166100000000, -0.0029219900000000 ] - [ -0.0020016100000000, 0.0166629300000000, -0.0010557200000000 ] - [ -0.0007557800000000, 0.0051340600000000, -0.0031138000000000 ] - [ -0.0031387900000000, 0.0052653000000000, -0.0027111300000000 ] - [ -0.0038693900000000, 0.0064957300000000, -0.0023999000000000 ] - [ 0.0016706300000000, -0.0036559000000000, 0.0012418200000000 ] - [ 0.0020443300000000, -0.0036601400000000, 0.0014654300000000 ] - [ 0.0028700900000000, -0.0037514300000000, 0.0018332300000000 ] - [ 0.0042531900000000, -0.0029793200000000, 0.0026585500000000 ] - [ 0.0034920300000000, 0.0038372400000000, 0.0027601500000000 ] - [ 0.0024934500000000, 0.0036883100000000, 0.0024154600000000 ] - [ 0.0031009900000000, 0.0038673000000000, 0.0025259900000000 ] - [ 0.0025377100000000, 0.0032309800000000, 0.0024393000000000 ] - [ -0.0049387600000000, -0.0077851800000000, -0.0052726900000000 ] - [ -0.0023963000000000, -0.0060261900000000, -0.0042877400000000 ] - [ -0.0023792000000000, -0.0051965500000000, -0.0011604000000000 ] - [ -0.0026037900000000, -0.0059391600000000, -0.0029492700000000 ] - [ -0.0037891300000000, 0.0047463100000000, -0.0024860000000000 ] - [ -0.0029308100000000, 0.0059407400000000, -0.0032220500000000 ] - [ 0.0004094200000000, 0.0084557200000000, -0.0063416200000000 ] - [ -0.0026033700000000, 0.0060503700000000, -0.0029669300000000 ] - [ -0.0007525900000000, 0.0091204100000000, 0.0001109000000000 ] - [ -0.0004733900000000, 0.0090812700000000, 0.0003683700000000 ] - [ -0.0000124700000000, 0.0098853300000000, 0.0011669900000000 ] - [ -0.0000019400000000, 0.0091231500000000, 0.0008100600000000 ] - [ 0.0001231000000000, -0.0090297700000000, 0.0000465600000000 ] - [ -0.0001373300000000, -0.0093202000000000, 0.0004675000000000 ] - [ -0.0001456800000000, -0.0098336200000000, 0.0010666200000000 ] - [ -0.0002386000000000, -0.0091040400000000, 0.0004045100000000 ] - [ -0.0355049800000000, 0.0171228800000000, 0.0086986400000000 ] - [ -0.0044016600000000, 0.0069363000000000, -0.0036892200000000 ] - [ -0.0037760800000000, 0.0067899500000000, -0.0050969700000000 ] - [ -0.0045804900000000, 0.0059486200000000, -0.0037833400000000 ] - [ -0.0012184700000000, -0.0111599400000000, 0.0388639700000000 ] - [ -0.0051804200000000, -0.0062925300000000, -0.0031223300000000 ] - [ -0.0041836000000000, -0.0058284600000000, -0.0048480100000000 ] - [ -0.0047110600000000, -0.0063852800000000, -0.0040149200000000 ] - [ 0.0057092700000000, -0.0137584600000000, 0.0044063200000000 ] - [ 0.0066647200000000, -0.0157771600000000, 0.0039759200000000 ] - [ 0.0046611100000000, -0.0153718000000000, 0.0027210700000000 ] - [ 0.0045192400000000, -0.0138078000000000, 0.0042063600000000 ] - [ 0.0042942900000000, 0.0129688000000000, 0.0052562400000000 ] - [ 0.0042290600000000, 0.0126555600000000, 0.0055963000000000 ] - [ 0.0051243700000000, 0.0141727300000000, 0.0037200000000000 ] - [ 0.0053166800000000, 0.0140488200000000, 0.0037021700000000 ] - [ 0.0000286500000000, 0.0092638100000000, 0.0002274000000000 ] - [ 0.0000889600000000, 0.0094810800000000, 0.0001336600000000 ] - [ 0.0010137100000000, -0.0162959900000000, 0.0135971000000000 ] - [ -0.0008594600000000, 0.0074939400000000, 0.0011913300000000 ] - [ -0.0000367000000000, -0.0068412900000000, 0.0001869400000000 ] - [ 0.0000143300000000, -0.0112806200000000, 0.0005366500000000 ] - [ 0.0003771200000000, -0.0103770100000000, -0.0008686500000000 ] - [ -0.0005011300000000, -0.0091890100000000, 0.0006893100000000 ] - [ -0.0042473500000000, 0.0059357600000000, -0.0034494600000000 ] - [ -0.0047320600000000, 0.0062337400000000, -0.0035450500000000 ] - [ -0.0050877600000000, 0.0062711400000000, -0.0039023200000000 ] - [ -0.0048823700000000, 0.0063481100000000, -0.0033508100000000 ] - [ -0.0047008100000000, -0.0059377800000000, -0.0032957300000000 ] - [ -0.0048718400000000, -0.0061510900000000, -0.0034341400000000 ] - [ -0.0046782300000000, -0.0058352300000000, -0.0024739800000000 ] - [ -0.0049522900000000, -0.0065130700000000, -0.0038441300000000 ] - [ -0.0041565500000000, -0.0176712700000000, 0.0093276300000000 ] - [ 0.0042800700000000, -0.0141912400000000, 0.0044257900000000 ] - [ 0.0051736400000000, -0.0140866700000000, 0.0035183700000000 ] - [ 0.0048867800000000, -0.0139088200000000, 0.0040248500000000 ] - [ 0.0070369400000000, 0.0147591400000000, 0.0045111900000000 ] - [ 0.0052344300000000, 0.0135458100000000, 0.0043692100000000 ] - [ 0.0037656700000000, 0.0139836200000000, 0.0026889000000000 ] - [ 0.0046768000000000, 0.0140041300000000, 0.0039725600000000 ]- atom: 1 displacement: [ 0.0051328375665862, 0.0000000000000000, -0.0085821896107603 ] forces: - [ -0.0375078800000000, -0.0200422400000000, 0.0836416600000000 ] - [ 0.0029591100000000, -0.0039312400000000, 0.0035291500000000 ] - [ 0.0037405800000000, -0.0040955700000000, 0.0008407400000000 ] - [ 0.0031122900000000, -0.0034421000000000, 0.0015855800000000 ] - [ 0.0107760200000000, 0.0091419900000000, -0.0023643700000000 ] - [ 0.0026622400000000, 0.0024869000000000, 0.0016371100000000 ] - [ 0.0049563500000000, 0.0034721600000000, -0.0057980200000000 ] - [ 0.0028237300000000, 0.0034614300000000, 0.0017318700000000 ] - [ -0.0045013000000000, -0.0142319800000000, 0.0010783400000000 ] - [ 0.0011714100000000, -0.0040383700000000, -0.0016736200000000 ] - [ -0.0027542700000000, -0.0048168700000000, -0.0040968200000000 ] - [ -0.0016280700000000, -0.0063674400000000, -0.0038650300000000 ] - [ -0.0034317700000000, -0.0047968000000000, -0.0057574000000000 ] - [ -0.0046669300000000, 0.0067531400000000, -0.0036733100000000 ] - [ -0.0022852500000000, 0.0066199600000000, -0.0040741500000000 ] - [ -0.0015543100000000, 0.0053879800000000, -0.0043886700000000 ] - [ 0.0041614300000000, -0.0033411500000000, 0.0032517300000000 ] - [ 0.0037850700000000, -0.0033318300000000, 0.0030266200000000 ] - [ 0.0029601100000000, -0.0032392200000000, 0.0026515900000000 ] - [ 0.0015840500000000, -0.0040142700000000, 0.0018268800000000 ] - [ 0.0023402800000000, 0.0031539800000000, 0.0017276300000000 ] - [ 0.0033346100000000, 0.0033054900000000, 0.0020705000000000 ] - [ 0.0027302200000000, 0.0031267900000000, 0.0019607600000000 ] - [ 0.0032954400000000, 0.0037601800000000, 0.0020446600000000 ] - [ -0.0004937000000000, -0.0040824800000000, -0.0014807300000000 ] - [ -0.0030248000000000, -0.0058619700000000, -0.0024917500000000 ] - [ -0.0030415400000000, -0.0066864700000000, -0.0056020400000000 ] - [ -0.0028170300000000, -0.0059455900000000, -0.0038358500000000 ] - [ -0.0016267100000000, 0.0071450100000000, -0.0043001300000000 ] - [ -0.0024901400000000, 0.0059440300000000, -0.0035632500000000 ] - [ -0.0058100600000000, 0.0034314700000000, -0.0004642400000000 ] - [ -0.0028189600000000, 0.0058354200000000, -0.0038184200000000 ] - [ 0.0003460500000000, 0.0093224200000000, 0.0009037000000000 ] - [ 0.0000669100000000, 0.0093660300000000, 0.0006470700000000 ] - [ -0.0003827500000000, 0.0085611400000000, -0.0001557500000000 ] - [ -0.0004016600000000, 0.0093246400000000, 0.0002040700000000 ] - [ -0.0005235500000000, -0.0094166200000000, 0.0009742200000000 ] - [ -0.0002673400000000, -0.0091274600000000, 0.0005487300000000 ] - [ -0.0002592900000000, -0.0086167400000000, -0.0000459500000000 ] - [ -0.0001668300000000, -0.0093437200000000, 0.0006116700000000 ] - [ 0.0249660300000000, -0.0041293400000000, -0.0156220900000000 ] - [ -0.0052646500000000, 0.0054658000000000, -0.0033947300000000 ] - [ -0.0058768500000000, 0.0056289000000000, -0.0019932400000000 ] - [ -0.0050800700000000, 0.0064681900000000, -0.0032997700000000 ] - [ -0.0086942000000000, -0.0011581800000000, -0.0477270600000000 ] - [ -0.0044788200000000, -0.0061234700000000, -0.0039636300000000 ] - [ -0.0054739400000000, -0.0065899300000000, -0.0022357100000000 ] - [ -0.0049493000000000, -0.0060308500000000, -0.0030687500000000 ] - [ 0.0039430600000000, -0.0141261300000000, 0.0039594000000000 ] - [ 0.0029882400000000, -0.0121017100000000, 0.0043902400000000 ] - [ 0.0049940300000000, -0.0125178700000000, 0.0056437200000000 ] - [ 0.0051349700000000, -0.0140773300000000, 0.0041628300000000 ] - [ 0.0053634300000000, 0.0149073500000000, 0.0031166400000000 ] - [ 0.0054305500000000, 0.0152352600000000, 0.0027671900000000 ] - [ 0.0045303800000000, 0.0137127700000000, 0.0046467400000000 ] - [ 0.0043399200000000, 0.0138366300000000, 0.0046640400000000 ] - [ -0.0004325400000000, 0.0091822400000000, 0.0007894400000000 ] - [ -0.0004939400000000, 0.0089669100000000, 0.0008823000000000 ] - [ -0.0013209300000000, 0.0346553600000000, -0.0127664900000000 ] - [ 0.0004546200000000, 0.0109463500000000, -0.0001758200000000 ] - [ -0.0003693400000000, -0.0116151700000000, 0.0008336100000000 ] - [ -0.0004204100000000, -0.0071527300000000, 0.0004869900000000 ] - [ -0.0007751200000000, -0.0080714200000000, 0.0018880200000000 ] - [ 0.0000982600000000, -0.0092555800000000, 0.0003257300000000 ] - [ -0.0054109500000000, 0.0064761500000000, -0.0036381300000000 ] - [ -0.0049281700000000, 0.0061851200000000, -0.0035415700000000 ] - [ -0.0045740700000000, 0.0061465700000000, -0.0031854700000000 ] - [ -0.0047773000000000, 0.0060675000000000, -0.0037329200000000 ] - [ -0.0049595900000000, -0.0064791200000000, -0.0037916000000000 ] - [ -0.0047876900000000, -0.0062646400000000, -0.0036525100000000 ] - [ -0.0049846800000000, -0.0065808400000000, -0.0046097900000000 ] - [ -0.0047092100000000, -0.0059027600000000, -0.0032416100000000 ] - [ 0.0136475000000000, -0.0103056400000000, -0.0009966200000000 ] - [ 0.0053752700000000, -0.0136936900000000, 0.0039399200000000 ] - [ 0.0044824000000000, -0.0137991500000000, 0.0048467600000000 ] - [ 0.0047679800000000, -0.0139764200000000, 0.0043423900000000 ] - [ 0.0026084700000000, 0.0131203400000000, 0.0038514200000000 ] - [ 0.0044190800000000, 0.0143418500000000, 0.0039961300000000 ] - [ 0.0058875800000000, 0.0138974700000000, 0.0056642500000000 ] - [ 0.0049782100000000, 0.0138811400000000, 0.0043949900000000 ]- atom: 9 displacement: [ 0.0099999566297759, 0.0000000000000000, -0.0000294516994565 ] forces: - [ 0.0017410500000000, -0.0054295900000000, 0.0036491200000000 ] - [ 0.0024084300000000, 0.0076034900000000, -0.0025769500000000 ] - [ 0.0031746400000000, -0.0033614300000000, 0.0024459900000000 ] - [ 0.0030306300000000, -0.0033890000000000, 0.0010486100000000 ] - [ 0.0029376400000000, 0.0022524300000000, 0.0017553200000000 ] - [ 0.0044103200000000, 0.0041614100000000, 0.0017840800000000 ] - [ 0.0033828800000000, 0.0040026400000000, 0.0033345800000000 ] - [ 0.0012240100000000, 0.0035458500000000, 0.0035121000000000 ] - [ -0.1238623600000000, -0.0199816300000000, -0.0173638000000000 ] - [ -0.0016062600000000, -0.0047328900000000, -0.0036588800000000 ] - [ -0.0032823900000000, -0.0057454100000000, -0.0049974400000000 ] - [ -0.0026039900000000, -0.0059122100000000, -0.0034460700000000 ] - [ -0.0027649900000000, 0.0060052100000000, -0.0033743500000000 ] - [ -0.0051731500000000, 0.0035818000000000, -0.0078856800000000 ] - [ -0.0027649200000000, 0.0059457900000000, -0.0031074300000000 ] - [ -0.0051776400000000, 0.0063084900000000, -0.0143978600000000 ] - [ 0.0123138500000000, -0.0002852200000000, 0.0053034400000000 ] - [ 0.0023368800000000, -0.0039708200000000, 0.0022665800000000 ] - [ 0.0031149300000000, -0.0034174100000000, 0.0027448700000000 ] - [ 0.0028706900000000, -0.0032961300000000, 0.0023393100000000 ] - [ 0.0026641100000000, 0.0037367800000000, 0.0022174900000000 ] - [ 0.0015489600000000, 0.0047855300000000, 0.0050469800000000 ] - [ 0.0030936000000000, 0.0036620600000000, 0.0020929900000000 ] - [ 0.0045115500000000, 0.0030195900000000, 0.0019313400000000 ] - [ -0.0007473200000000, -0.0055947100000000, -0.0030269300000000 ] - [ -0.0007478800000000, -0.0070782400000000, -0.0034507700000000 ] - [ -0.0028269900000000, -0.0058698700000000, -0.0035888100000000 ] - [ -0.0028248700000000, -0.0062328200000000, -0.0020177500000000 ] - [ -0.0027429600000000, 0.0069183800000000, -0.0030753300000000 ] - [ -0.0016879300000000, 0.0058133100000000, -0.0032908300000000 ] - [ -0.0027455200000000, 0.0055891700000000, -0.0028901600000000 ] - [ -0.0016839500000000, 0.0062721900000000, -0.0020744300000000 ] - [ -0.0002996500000000, 0.0093910300000000, 0.0005326800000000 ] - [ -0.0003264500000000, 0.0091219300000000, 0.0001242200000000 ] - [ -0.0024940200000000, 0.0074643100000000, -0.0000786400000000 ] - [ -0.0003876100000000, 0.0099481500000000, 0.0001952200000000 ] - [ 0.0000033700000000, -0.0095187400000000, 0.0005092500000000 ] - [ -0.0007250200000000, -0.0088029900000000, 0.0001241000000000 ] - [ -0.0003734700000000, -0.0092760800000000, 0.0004910400000000 ] - [ -0.0008592300000000, -0.0087797800000000, 0.0002725200000000 ] - [ 0.0006927200000000, 0.0121832400000000, -0.0073205700000000 ] - [ -0.0040804500000000, 0.0033891800000000, -0.0036741500000000 ] - [ -0.0048067100000000, 0.0062654300000000, -0.0029356000000000 ] - [ -0.0052281800000000, 0.0062479600000000, -0.0029667700000000 ] - [ -0.0047566700000000, -0.0059560100000000, -0.0036427800000000 ] - [ -0.0055221100000000, -0.0075830800000000, -0.0010968100000000 ] - [ -0.0049042200000000, -0.0062984100000000, -0.0040207300000000 ] - [ -0.0040933400000000, -0.0052848300000000, -0.0017273400000000 ] - [ 0.0054061000000000, -0.0140994100000000, 0.0041904700000000 ] - [ 0.0432360300000000, -0.0364198600000000, -0.0037374100000000 ] - [ 0.0047724000000000, -0.0139212000000000, 0.0042636300000000 ] - [ 0.0054846500000000, -0.0136820600000000, 0.0038557800000000 ] - [ 0.0143279200000000, 0.0143323500000000, 0.0071752600000000 ] - [ 0.0048964000000000, 0.0137851800000000, 0.0042917300000000 ] - [ 0.0039961600000000, 0.0138340000000000, 0.0064503200000000 ] - [ 0.0047849000000000, 0.0138899200000000, 0.0041973900000000 ] - [ -0.0002469700000000, 0.0091272500000000, 0.0004645600000000 ] - [ -0.0001320400000000, 0.0091590700000000, 0.0008142300000000 ] - [ 0.0000307700000000, 0.0079037800000000, 0.0003731300000000 ] - [ 0.0646227500000000, 0.0344245600000000, 0.0292989900000000 ] - [ -0.0002408700000000, -0.0082746300000000, 0.0012596800000000 ] - [ -0.0002078100000000, -0.0094885000000000, 0.0005293800000000 ] - [ 0.0015763300000000, -0.0101286100000000, 0.0016986200000000 ] - [ 0.0000740200000000, -0.0091786600000000, 0.0002970700000000 ] - [ -0.0053777400000000, 0.0060647900000000, -0.0034029100000000 ] - [ -0.0065143200000000, 0.0070732500000000, -0.0031980200000000 ] - [ -0.0047246200000000, 0.0060490700000000, -0.0036060100000000 ] - [ -0.0045859100000000, 0.0058457300000000, -0.0034461700000000 ] - [ -0.0050822300000000, -0.0069725600000000, -0.0050019100000000 ] - [ -0.0047939400000000, -0.0060690900000000, -0.0035581100000000 ] - [ -0.0049009300000000, -0.0063595300000000, -0.0035688300000000 ] - [ -0.0050530700000000, -0.0063913500000000, -0.0036949100000000 ] - [ 0.0045374200000000, -0.0141529500000000, 0.0042712200000000 ] - [ 0.0023425400000000, -0.0157061000000000, 0.0037253400000000 ] - [ 0.0048434500000000, -0.0141319400000000, 0.0040807300000000 ] - [ 0.0049837000000000, -0.0139300100000000, 0.0039688400000000 ] - [ 0.0042720700000000, 0.0140144300000000, 0.0040899100000000 ] - [ 0.0042604700000000, 0.0139692300000000, 0.0041816100000000 ] - [ 0.0051020700000000, 0.0138764800000000, 0.0043922700000000 ] - [ 0.0049502900000000, 0.0141392800000000, 0.0033091600000000 ]- atom: 9 displacement: [ -0.0099999566297759, 0.0000000000000000, 0.0000294516994565 ] forces: - [ 0.0040680700000000, -0.0015714700000000, 0.0008404000000000 ] - [ 0.0034501800000000, -0.0145718000000000, 0.0070640800000000 ] - [ 0.0026575100000000, -0.0036313800000000, 0.0020380800000000 ] - [ 0.0028032000000000, -0.0036035900000000, 0.0034427600000000 ] - [ 0.0028909500000000, 0.0047279300000000, 0.0027267100000000 ] - [ 0.0014266900000000, 0.0028336600000000, 0.0027040600000000 ] - [ 0.0024499700000000, 0.0029878600000000, 0.0011263900000000 ] - [ 0.0046093400000000, 0.0034486100000000, 0.0009815800000000 ] - [ 0.1179607500000000, 0.0054844700000000, 0.0087092300000000 ] - [ -0.0038112500000000, -0.0071406600000000, -0.0031279300000000 ] - [ -0.0021405000000000, -0.0061377000000000, -0.0017874200000000 ] - [ -0.0028173000000000, -0.0059717500000000, -0.0033381000000000 ] - [ -0.0026549400000000, 0.0058793100000000, -0.0034098300000000 ] - [ -0.0002756700000000, 0.0083067000000000, 0.0010877200000000 ] - [ -0.0026564000000000, 0.0059422500000000, -0.0036759700000000 ] - [ -0.0002418100000000, 0.0055738400000000, 0.0076376300000000 ] - [ -0.0065332400000000, -0.0066711800000000, -0.0008020900000000 ] - [ 0.0034951200000000, -0.0030254200000000, 0.0022209100000000 ] - [ 0.0027142400000000, -0.0035754500000000, 0.0017486200000000 ] - [ 0.0029606900000000, -0.0036957800000000, 0.0021476200000000 ] - [ 0.0031657500000000, 0.0032547800000000, 0.0022692600000000 ] - [ 0.0043096800000000, 0.0022066100000000, -0.0005689200000000 ] - [ 0.0027379700000000, 0.0033286800000000, 0.0023948500000000 ] - [ 0.0013189400000000, 0.0039751500000000, 0.0025477000000000 ] - [ -0.0046761400000000, -0.0062965700000000, -0.0037625500000000 ] - [ -0.0046739700000000, -0.0048109900000000, -0.0033294300000000 ] - [ -0.0025911300000000, -0.0060144500000000, -0.0031980900000000 ] - [ -0.0025981300000000, -0.0056569100000000, -0.0047626500000000 ] - [ -0.0026760100000000, 0.0049631900000000, -0.0037132700000000 ] - [ -0.0037327500000000, 0.0060717700000000, -0.0034921400000000 ] - [ -0.0026794600000000, 0.0062961500000000, -0.0038854100000000 ] - [ -0.0037358300000000, 0.0056107400000000, -0.0047141800000000 ] - [ -0.0001064400000000, 0.0090550100000000, 0.0004827700000000 ] - [ -0.0000781300000000, 0.0093265000000000, 0.0008911000000000 ] - [ 0.0021023200000000, 0.0109890500000000, 0.0010985100000000 ] - [ -0.0000159700000000, 0.0085018700000000, 0.0008189800000000 ] - [ -0.0004088800000000, -0.0089279200000000, 0.0005069100000000 ] - [ 0.0003163000000000, -0.0096442000000000, 0.0008935400000000 ] - [ -0.0000309500000000, -0.0091705900000000, 0.0005213200000000 ] - [ 0.0004536600000000, -0.0096678600000000, 0.0007437800000000 ] - [ -0.0103002900000000, 0.0004659900000000, 0.0001983900000000 ] - [ -0.0055783900000000, 0.0089990400000000, -0.0034077600000000 ] - [ -0.0048535900000000, 0.0061526100000000, -0.0041466800000000 ] - [ -0.0044327200000000, 0.0061674900000000, -0.0041187100000000 ] - [ -0.0049009400000000, -0.0064572300000000, -0.0034432100000000 ] - [ -0.0041384100000000, -0.0048407500000000, -0.0059773600000000 ] - [ -0.0047581900000000, -0.0061203400000000, -0.0030586700000000 ] - [ -0.0055675100000000, -0.0071317900000000, -0.0053681300000000 ] - [ 0.0042502500000000, -0.0137874600000000, 0.0041757200000000 ] - [ -0.0351014700000000, 0.0095065800000000, 0.0127154000000000 ] - [ 0.0048826300000000, -0.0139651200000000, 0.0041036600000000 ] - [ 0.0041772700000000, -0.0142031900000000, 0.0045079900000000 ] - [ -0.0046522700000000, 0.0135771500000000, 0.0013991600000000 ] - [ 0.0047590200000000, 0.0141007400000000, 0.0040754300000000 ] - [ 0.0056613200000000, 0.0140504700000000, 0.0019112500000000 ] - [ 0.0048700900000000, 0.0139957700000000, 0.0041693900000000 ] - [ -0.0001582400000000, 0.0093205400000000, 0.0005512300000000 ] - [ -0.0002741500000000, 0.0092879800000000, 0.0002024100000000 ] - [ -0.0004310900000000, 0.0105372800000000, 0.0006421900000000 ] - [ -0.0630613200000000, -0.0146228900000000, -0.0272043900000000 ] - [ -0.0001687000000000, -0.0101691600000000, -0.0002335700000000 ] - [ -0.0001977200000000, -0.0089595400000000, 0.0004853500000000 ] - [ -0.0019836300000000, -0.0083143400000000, -0.0006777500000000 ] - [ -0.0004795500000000, -0.0092710700000000, 0.0007172000000000 ] - [ -0.0042843900000000, 0.0063559800000000, -0.0036821900000000 ] - [ -0.0031686700000000, 0.0053406300000000, -0.0038872800000000 ] - [ -0.0049351500000000, 0.0063667700000000, -0.0034777400000000 ] - [ -0.0050780000000000, 0.0065757700000000, -0.0036457800000000 ] - [ -0.0045757700000000, -0.0054449300000000, -0.0020779300000000 ] - [ -0.0048663400000000, -0.0063459600000000, -0.0035271800000000 ] - [ -0.0047593600000000, -0.0060566900000000, -0.0035184300000000 ] - [ -0.0046071300000000, -0.0060248000000000, -0.0033898200000000 ] - [ 0.0051201400000000, -0.0137321500000000, 0.0040960800000000 ] - [ 0.0073194500000000, -0.0121672100000000, 0.0046398500000000 ] - [ 0.0048105700000000, -0.0137535600000000, 0.0042877400000000 ] - [ 0.0046706000000000, -0.0139555500000000, 0.0043983600000000 ] - [ 0.0053823600000000, 0.0138731000000000, 0.0042782200000000 ] - [ 0.0053937800000000, 0.0139177100000000, 0.0041841900000000 ] - [ 0.0045562600000000, 0.0140091400000000, 0.0039783100000000 ] - [ 0.0047028300000000, 0.0137445800000000, 0.0050486100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0061488900000000, 0.0021950300000000, 0.0064861800000000 ] - [ 0.0056066200000000, 0.0041396700000000, 0.0016230900000000 ] - [ 0.0027003700000000, -0.0036558400000000, 0.0008022800000000 ] - [ 0.0029036900000000, -0.0038011000000000, 0.0027307000000000 ] - [ 0.0019100000000000, 0.0020293000000000, 0.0024303000000000 ] - [ 0.0038117700000000, 0.0045801600000000, 0.0021332100000000 ] - [ 0.0034474300000000, 0.0009725200000000, -0.0099179000000000 ] - [ 0.0029507500000000, 0.0043402500000000, 0.0032125200000000 ] - [ -0.0154877900000000, -0.1014830900000000, -0.0162585100000000 ] - [ -0.0015070400000000, -0.0031420500000000, -0.0034476400000000 ] - [ -0.0025129900000000, -0.0059589300000000, -0.0024537200000000 ] - [ -0.0026811100000000, -0.0054023000000000, -0.0034835200000000 ] - [ -0.0027118900000000, 0.0071769000000000, -0.0031725900000000 ] - [ -0.0030952100000000, 0.0054073900000000, -0.0058809400000000 ] - [ -0.0027739700000000, 0.0071794900000000, -0.0035876800000000 ] - [ -0.0003327200000000, 0.0054226900000000, 0.0019225000000000 ] - [ 0.0004524600000000, -0.0087177600000000, -0.0013940500000000 ] - [ 0.0034481600000000, -0.0028630100000000, 0.0024660200000000 ] - [ 0.0026191000000000, -0.0033995200000000, 0.0029387300000000 ] - [ 0.0029064300000000, -0.0029739800000000, 0.0022414500000000 ] - [ 0.0028673400000000, 0.0039783900000000, 0.0020899400000000 ] - [ 0.0041164800000000, 0.0034255200000000, 0.0000302700000000 ] - [ 0.0030096900000000, 0.0037050300000000, 0.0023018800000000 ] - [ 0.0026533000000000, 0.0036278200000000, 0.0034812700000000 ] - [ -0.0038418600000000, -0.0048008600000000, -0.0030042300000000 ] - [ -0.0023614600000000, -0.0047984500000000, -0.0036693000000000 ] - [ -0.0030023400000000, -0.0064335200000000, -0.0048908300000000 ] - [ -0.0026373900000000, -0.0064367100000000, -0.0029497100000000 ] - [ -0.0023577300000000, 0.0047045100000000, -0.0035776900000000 ] - [ -0.0030427600000000, 0.0066613900000000, -0.0032860800000000 ] - [ -0.0036891300000000, 0.0047025700000000, -0.0041648400000000 ] - [ -0.0025804100000000, 0.0066587700000000, -0.0030005200000000 ] - [ 0.0005109800000000, 0.0102291200000000, 0.0012410200000000 ] - [ -0.0003707900000000, 0.0088743800000000, 0.0003649800000000 ] - [ 0.0011511700000000, 0.0104714700000000, 0.0005463400000000 ] - [ -0.0008024000000000, 0.0087830700000000, 0.0004774900000000 ] - [ -0.0002735500000000, -0.0090659500000000, 0.0007355900000000 ] - [ -0.0000071300000000, -0.0093071100000000, 0.0005835500000000 ] - [ 0.0000489100000000, -0.0091927200000000, 0.0006908700000000 ] - [ -0.0001497100000000, -0.0094744200000000, 0.0002777900000000 ] - [ 0.0023496300000000, 0.0539075200000000, -0.0111165900000000 ] - [ -0.0044046400000000, 0.0042105400000000, -0.0035564200000000 ] - [ -0.0048956700000000, 0.0068306500000000, -0.0034229200000000 ] - [ -0.0048894100000000, 0.0058730300000000, -0.0034863100000000 ] - [ -0.0038067300000000, -0.0066940100000000, -0.0047079500000000 ] - [ -0.0053540000000000, -0.0069871000000000, -0.0023402200000000 ] - [ -0.0054266300000000, -0.0068939500000000, -0.0012083800000000 ] - [ -0.0050487900000000, -0.0063568400000000, -0.0042253500000000 ] - [ 0.0044388100000000, -0.0145699200000000, 0.0038506900000000 ] - [ -0.0170915000000000, 0.0050520500000000, 0.0123238700000000 ] - [ 0.0047869000000000, -0.0142707700000000, 0.0040066400000000 ] - [ 0.0054092200000000, -0.0139393400000000, 0.0035391700000000 ] - [ 0.0046111800000000, 0.0186190700000000, 0.0126534600000000 ] - [ 0.0047113000000000, 0.0136595700000000, 0.0041965100000000 ] - [ 0.0050395200000000, 0.0140289300000000, 0.0021668200000000 ] - [ 0.0047148800000000, 0.0137485900000000, 0.0043053400000000 ] - [ -0.0002758300000000, 0.0088536700000000, 0.0007920100000000 ] - [ -0.0003246200000000, 0.0093559200000000, 0.0004467400000000 ] - [ 0.0003259200000000, 0.0058649400000000, 0.0003596700000000 ] - [ 0.0272130300000000, 0.0261520400000000, 0.0118239400000000 ] - [ -0.0003312800000000, -0.0080919100000000, 0.0006599300000000 ] - [ -0.0000630300000000, -0.0099963600000000, 0.0004473000000000 ] - [ -0.0013846900000000, -0.0063405800000000, 0.0013058300000000 ] - [ 0.0000064400000000, -0.0101096000000000, 0.0003646700000000 ] - [ -0.0048123700000000, 0.0061675000000000, -0.0035700500000000 ] - [ -0.0031202400000000, 0.0060506800000000, -0.0036129600000000 ] - [ -0.0046551000000000, 0.0059250900000000, -0.0033376800000000 ] - [ -0.0052796300000000, 0.0066015300000000, -0.0040813600000000 ] - [ -0.0047162300000000, -0.0053030400000000, -0.0027948000000000 ] - [ -0.0049869200000000, -0.0066965100000000, -0.0035767500000000 ] - [ -0.0044403700000000, -0.0058211200000000, -0.0039342500000000 ] - [ -0.0049726600000000, -0.0065363500000000, -0.0036575800000000 ] - [ 0.0068966500000000, -0.0147022400000000, 0.0042966400000000 ] - [ 0.0048724500000000, -0.0142170000000000, 0.0037240400000000 ] - [ 0.0047391200000000, -0.0137543400000000, 0.0044217700000000 ] - [ 0.0049287100000000, -0.0139055700000000, 0.0041134800000000 ] - [ 0.0049570900000000, 0.0141874400000000, 0.0039875000000000 ] - [ 0.0047658000000000, 0.0136248500000000, 0.0043187600000000 ] - [ 0.0059521700000000, 0.0140813500000000, 0.0068589100000000 ] - [ 0.0048151700000000, 0.0140334600000000, 0.0039976800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0119836200000000, -0.0092462800000000, -0.0020009900000000 ] - [ 0.0002712900000000, -0.0111171900000000, 0.0028709500000000 ] - [ 0.0031313700000000, -0.0033353800000000, 0.0036884200000000 ] - [ 0.0029286100000000, -0.0031912600000000, 0.0017543600000000 ] - [ 0.0039239100000000, 0.0049711000000000, 0.0020563700000000 ] - [ 0.0020209500000000, 0.0024135000000000, 0.0023529800000000 ] - [ 0.0023748500000000, 0.0060186700000000, 0.0144459100000000 ] - [ 0.0028802800000000, 0.0026475600000000, 0.0012838300000000 ] - [ 0.0100476200000000, 0.0919223700000000, 0.0081976100000000 ] - [ -0.0039150000000000, -0.0087306800000000, -0.0033378600000000 ] - [ -0.0029112000000000, -0.0059225700000000, -0.0043296300000000 ] - [ -0.0027405100000000, -0.0064844600000000, -0.0033003900000000 ] - [ -0.0027098800000000, 0.0047018100000000, -0.0036111800000000 ] - [ -0.0023464700000000, 0.0064555100000000, -0.0008969100000000 ] - [ -0.0026472600000000, 0.0047044600000000, -0.0032008400000000 ] - [ -0.0050892700000000, 0.0064707900000000, -0.0087233500000000 ] - [ 0.0053832800000000, 0.0017437000000000, 0.0058695000000000 ] - [ 0.0023873200000000, -0.0041309900000000, 0.0020230500000000 ] - [ 0.0032123900000000, -0.0035889900000000, 0.0015576600000000 ] - [ 0.0029254800000000, -0.0040206700000000, 0.0022454800000000 ] - [ 0.0029646800000000, 0.0030107200000000, 0.0023985200000000 ] - [ 0.0017321000000000, 0.0035401000000000, 0.0044583600000000 ] - [ 0.0028215700000000, 0.0032851500000000, 0.0021854600000000 ] - [ 0.0031801600000000, 0.0033668300000000, 0.0010016300000000 ] - [ -0.0015772000000000, -0.0070921000000000, -0.0037859500000000 ] - [ -0.0030620900000000, -0.0070895700000000, -0.0031128000000000 ] - [ -0.0024180500000000, -0.0054485300000000, -0.0018865800000000 ] - [ -0.0027849800000000, -0.0054518800000000, -0.0038358100000000 ] - [ -0.0030640500000000, 0.0071865500000000, -0.0032073900000000 ] - [ -0.0023823100000000, 0.0052255800000000, -0.0034989700000000 ] - [ -0.0017297700000000, 0.0071846800000000, -0.0026132000000000 ] - [ -0.0028415100000000, 0.0052228900000000, -0.0037865000000000 ] - [ -0.0009180100000000, 0.0082137300000000, -0.0002268000000000 ] - [ -0.0000334900000000, 0.0095748200000000, 0.0006509600000000 ] - [ -0.0015495700000000, 0.0079789900000000, 0.0004740500000000 ] - [ 0.0003993700000000, 0.0096640900000000, 0.0005374200000000 ] - [ -0.0001293500000000, -0.0093813000000000, 0.0002816600000000 ] - [ -0.0003950900000000, -0.0091399500000000, 0.0004315800000000 ] - [ -0.0004548400000000, -0.0092540900000000, 0.0003231000000000 ] - [ -0.0002558200000000, -0.0089729900000000, 0.0007378300000000 ] - [ -0.0121107300000000, -0.0437794300000000, 0.0047150700000000 ] - [ -0.0052560800000000, 0.0082036900000000, -0.0035307900000000 ] - [ -0.0047642300000000, 0.0055832100000000, -0.0036621000000000 ] - [ -0.0047714800000000, 0.0065432500000000, -0.0035983200000000 ] - [ -0.0058591600000000, -0.0057164800000000, -0.0023716200000000 ] - [ -0.0043073200000000, -0.0054253800000000, -0.0047484900000000 ] - [ -0.0042328200000000, -0.0055191500000000, -0.0058834600000000 ] - [ -0.0046099000000000, -0.0060564500000000, -0.0028558200000000 ] - [ 0.0052140200000000, -0.0133166000000000, 0.0045160400000000 ] - [ 0.0263631100000000, -0.0329525600000000, -0.0037836200000000 ] - [ 0.0048683200000000, -0.0136139200000000, 0.0043615000000000 ] - [ 0.0042512600000000, -0.0139459500000000, 0.0048210400000000 ] - [ 0.0050601400000000, 0.0093463900000000, -0.0040799200000000 ] - [ 0.0049439600000000, 0.0142260600000000, 0.0041691600000000 ] - [ 0.0046158900000000, 0.0138544600000000, 0.0061983500000000 ] - [ 0.0049403700000000, 0.0141377100000000, 0.0040615500000000 ] - [ -0.0001283600000000, 0.0095946500000000, 0.0002226600000000 ] - [ -0.0000797200000000, 0.0090915900000000, 0.0005686200000000 ] - [ -0.0007179600000000, 0.0125676500000000, 0.0006549500000000 ] - [ -0.0271782100000000, -0.0077499900000000, -0.0106130000000000 ] - [ -0.0000688400000000, -0.0103577300000000, 0.0003580900000000 ] - [ -0.0003421100000000, -0.0084500800000000, 0.0005678200000000 ] - [ 0.0009838700000000, -0.0121174700000000, -0.0002875300000000 ] - [ -0.0004106500000000, -0.0083386300000000, 0.0006487300000000 ] - [ -0.0048494000000000, 0.0062515700000000, -0.0035151000000000 ] - [ -0.0065454000000000, 0.0063614600000000, -0.0034716300000000 ] - [ -0.0050060300000000, 0.0064916100000000, -0.0037481700000000 ] - [ -0.0043836300000000, 0.0058206100000000, -0.0030093800000000 ] - [ -0.0049484500000000, -0.0071149400000000, -0.0042882200000000 ] - [ -0.0046731300000000, -0.0057185900000000, -0.0035094300000000 ] - [ -0.0052231900000000, -0.0065966100000000, -0.0031561400000000 ] - [ -0.0046874300000000, -0.0058783600000000, -0.0034272800000000 ] - [ 0.0027429400000000, -0.0131724300000000, 0.0040723200000000 ] - [ 0.0047865600000000, -0.0136595900000000, 0.0046435200000000 ] - [ 0.0049161200000000, -0.0141320500000000, 0.0039452700000000 ] - [ 0.0047270700000000, -0.0139799500000000, 0.0042565100000000 ] - [ 0.0046978000000000, 0.0136966700000000, 0.0043813700000000 ] - [ 0.0048897000000000, 0.0142608800000000, 0.0040474200000000 ] - [ 0.0037001500000000, 0.0138034800000000, 0.0014913900000000 ] - [ 0.0048398100000000, 0.0138526800000000, 0.0043671000000000 ]- atom: 9 displacement: [ -0.0051328375665862, 0.0000000000000000, 0.0085821896107603 ] forces: - [ 0.0071536400000000, -0.0032411100000000, -0.0007468400000000 ] - [ 0.0015656100000000, -0.0058917200000000, 0.0020521400000000 ] - [ 0.0025736500000000, -0.0035293100000000, 0.0027157600000000 ] - [ 0.0030010500000000, -0.0034333400000000, 0.0034142500000000 ] - [ 0.0027355400000000, 0.0053330600000000, 0.0030699600000000 ] - [ 0.0015204900000000, 0.0029988700000000, 0.0030945300000000 ] - [ 0.0023420600000000, -0.0011136100000000, 0.0038046700000000 ] - [ 0.0040259400000000, 0.0036613800000000, 0.0020142200000000 ] - [ 0.0487578000000000, -0.0100759000000000, -0.0675370500000000 ] - [ -0.0035064800000000, -0.0066075800000000, -0.0041308500000000 ] - [ -0.0037935600000000, -0.0052393600000000, -0.0017167500000000 ] - [ -0.0028107100000000, -0.0060359200000000, -0.0030025900000000 ] - [ -0.0024387800000000, 0.0060738700000000, -0.0031844000000000 ] - [ -0.0108772100000000, 0.0026006100000000, 0.0015129100000000 ] - [ -0.0026658900000000, 0.0057527100000000, -0.0033231800000000 ] - [ -0.0053112300000000, 0.0079065300000000, 0.0049006900000000 ] - [ -0.0041577700000000, -0.0080531500000000, -0.0025416700000000 ] - [ 0.0030924800000000, -0.0031800900000000, 0.0012656100000000 ] - [ 0.0029123200000000, -0.0030832200000000, 0.0042665900000000 ] - [ 0.0029068000000000, -0.0037367200000000, 0.0026171000000000 ] - [ 0.0028125500000000, 0.0037033400000000, 0.0025417100000000 ] - [ 0.0128170000000000, -0.0018517400000000, 0.0033638900000000 ] - [ 0.0028196100000000, 0.0034921500000000, 0.0024875200000000 ] - [ 0.0018410000000000, 0.0038842600000000, 0.0031503000000000 ] - [ -0.0037750000000000, -0.0063611000000000, -0.0044718400000000 ] - [ -0.0034076300000000, -0.0050261900000000, -0.0042507400000000 ] - [ -0.0014670600000000, -0.0056005800000000, -0.0025546400000000 ] - [ -0.0028177700000000, -0.0070806700000000, -0.0033594100000000 ] - [ -0.0022645000000000, 0.0061032800000000, -0.0029835200000000 ] - [ -0.0021066900000000, 0.0056730300000000, -0.0028887900000000 ] - [ -0.0024185900000000, 0.0062821400000000, -0.0030763700000000 ] - [ -0.0031487900000000, 0.0056806400000000, -0.0035172800000000 ] - [ -0.0009832400000000, 0.0082185500000000, -0.0003583200000000 ] - [ -0.0000443800000000, 0.0095625200000000, 0.0005225000000000 ] - [ 0.0013069400000000, 0.0105516500000000, 0.0013537900000000 ] - [ -0.0001957900000000, 0.0086571100000000, 0.0011357700000000 ] - [ -0.0001801800000000, -0.0094354300000000, 0.0001519500000000 ] - [ -0.0017780300000000, -0.0079482200000000, 0.0004008100000000 ] - [ -0.0001148800000000, -0.0093224000000000, 0.0003494000000000 ] - [ -0.0000135600000000, -0.0093685000000000, 0.0003599500000000 ] - [ -0.0108865500000000, -0.0044596900000000, 0.0052612000000000 ] - [ -0.0049998600000000, 0.0069516600000000, -0.0032772800000000 ] - [ -0.0046833600000000, 0.0059507500000000, -0.0040597100000000 ] - [ -0.0046153900000000, 0.0062174000000000, -0.0040421600000000 ] - [ -0.0055516900000000, -0.0065847700000000, -0.0029409500000000 ] - [ -0.0031860500000000, -0.0046904200000000, -0.0037223200000000 ] - [ -0.0047205700000000, -0.0057765100000000, -0.0032861100000000 ] - [ -0.0050170000000000, -0.0070090300000000, -0.0046657300000000 ] - [ 0.0048194400000000, -0.0139011600000000, 0.0043699000000000 ] - [ -0.0239701700000000, 0.0060132100000000, 0.0167715600000000 ] - [ 0.0048970300000000, -0.0139061600000000, 0.0040046800000000 ] - [ 0.0062225700000000, -0.0141936900000000, 0.0024009300000000 ] - [ 0.0025348500000000, 0.0224297000000000, 0.0428085300000000 ] - [ 0.0048477600000000, 0.0138304400000000, 0.0044014800000000 ] - [ 0.0058764700000000, 0.0138166400000000, 0.0025169800000000 ] - [ 0.0049540500000000, 0.0140616000000000, 0.0040036100000000 ] - [ -0.0001194900000000, 0.0092993600000000, 0.0003774400000000 ] - [ 0.0001663900000000, 0.0091717400000000, -0.0000232400000000 ] - [ -0.0008117800000000, 0.0108374100000000, 0.0008060300000000 ] - [ -0.0092987400000000, 0.0052695600000000, -0.0011657200000000 ] - [ 0.0016077500000000, -0.0100271800000000, 0.0000111700000000 ] - [ 0.0000502700000000, -0.0087847900000000, 0.0003920900000000 ] - [ -0.0008262000000000, -0.0082744500000000, -0.0023708200000000 ] - [ -0.0004113800000000, -0.0092048700000000, 0.0005051600000000 ] - [ -0.0044372300000000, 0.0062883500000000, -0.0035285900000000 ] - [ -0.0029520500000000, 0.0058049500000000, -0.0037308900000000 ] - [ -0.0049446700000000, 0.0061455800000000, -0.0036492800000000 ] - [ -0.0057202500000000, 0.0078210100000000, -0.0055568400000000 ] - [ -0.0061953200000000, -0.0059665200000000, -0.0016729500000000 ] - [ -0.0051421500000000, -0.0060325700000000, -0.0032696900000000 ] - [ -0.0045292300000000, -0.0063169600000000, -0.0039498200000000 ] - [ -0.0046842200000000, -0.0061229100000000, -0.0037063300000000 ] - [ 0.0044445300000000, -0.0137838000000000, 0.0042678600000000 ] - [ 0.0053049700000000, -0.0140513200000000, 0.0042019100000000 ] - [ 0.0046412400000000, -0.0139612000000000, 0.0039043200000000 ] - [ 0.0044622100000000, -0.0138588100000000, 0.0040475000000000 ] - [ 0.0051740400000000, 0.0136167300000000, 0.0044381800000000 ] - [ 0.0050088900000000, 0.0138503700000000, 0.0043897100000000 ] - [ 0.0041192800000000, 0.0143573900000000, 0.0034668000000000 ] - [ 0.0046648300000000, 0.0142531200000000, 0.0043695900000000 ]- atom: 9 displacement: [ 0.0051328375665862, 0.0000000000000000, -0.0085821896107603 ] forces: - [ -0.0013335400000000, -0.0037462700000000, 0.0052530800000000 ] - [ 0.0042695300000000, -0.0011228100000000, 0.0024601100000000 ] - [ 0.0032554700000000, -0.0034660200000000, 0.0017699500000000 ] - [ 0.0028308200000000, -0.0035533900000000, 0.0010725900000000 ] - [ 0.0030959900000000, 0.0016487800000000, 0.0014121500000000 ] - [ 0.0043127800000000, 0.0039948800000000, 0.0013911700000000 ] - [ 0.0034977800000000, 0.0080483000000000, 0.0006498000000000 ] - [ 0.0018082600000000, 0.0033337600000000, 0.0024677900000000 ] - [ -0.0525958800000000, -0.0021757600000000, 0.0624378300000000 ] - [ -0.0019148600000000, -0.0052778900000000, -0.0026475200000000 ] - [ -0.0016347600000000, -0.0066452600000000, -0.0050692500000000 ] - [ -0.0026110900000000, -0.0058485800000000, -0.0037822600000000 ] - [ -0.0029838600000000, 0.0058073000000000, -0.0036006300000000 ] - [ 0.0054713400000000, 0.0092961400000000, -0.0083528800000000 ] - [ -0.0027535400000000, 0.0061304700000000, -0.0034658600000000 ] - [ -0.0001726500000000, 0.0040137600000000, -0.0116696000000000 ] - [ 0.0099777800000000, 0.0010729200000000, 0.0070460600000000 ] - [ 0.0027406600000000, -0.0038138400000000, 0.0032272500000000 ] - [ 0.0029225500000000, -0.0039136000000000, 0.0002276100000000 ] - [ 0.0029241100000000, -0.0032547700000000, 0.0018686300000000 ] - [ 0.0030200200000000, 0.0032872100000000, 0.0019433500000000 ] - [ -0.0070016500000000, 0.0088490700000000, 0.0011077700000000 ] - [ 0.0030115800000000, 0.0035005900000000, 0.0019979800000000 ] - [ 0.0039894700000000, 0.0031128800000000, 0.0013282300000000 ] - [ -0.0016494800000000, -0.0055242300000000, -0.0023068700000000 ] - [ -0.0020177200000000, -0.0068598100000000, -0.0025257100000000 ] - [ -0.0039443600000000, -0.0062857100000000, -0.0042320100000000 ] - [ -0.0026038700000000, -0.0048027200000000, -0.0034273500000000 ] - [ -0.0031549800000000, 0.0057777400000000, -0.0037989100000000 ] - [ -0.0033221500000000, 0.0062138500000000, -0.0038987000000000 ] - [ -0.0030027300000000, 0.0056023500000000, -0.0037083600000000 ] - [ -0.0022716200000000, 0.0062027900000000, -0.0032753800000000 ] - [ 0.0005721900000000, 0.0102235900000000, 0.0013691600000000 ] - [ -0.0003614200000000, 0.0088845800000000, 0.0004935200000000 ] - [ -0.0017077600000000, 0.0078979800000000, -0.0003396300000000 ] - [ -0.0002074700000000, 0.0097910800000000, -0.0001238700000000 ] - [ -0.0002255900000000, -0.0090061700000000, 0.0008659000000000 ] - [ 0.0013837300000000, -0.0105123500000000, 0.0006258300000000 ] - [ -0.0002899700000000, -0.0091259700000000, 0.0006654600000000 ] - [ -0.0003916600000000, -0.0090801500000000, 0.0006570400000000 ] - [ 0.0012586100000000, 0.0168989700000000, -0.0124304200000000 ] - [ -0.0046635200000000, 0.0054685500000000, -0.0038076800000000 ] - [ -0.0049761800000000, 0.0064670900000000, -0.0030230000000000 ] - [ -0.0050440600000000, 0.0061979900000000, -0.0030430800000000 ] - [ -0.0041083900000000, -0.0058266900000000, -0.0041449300000000 ] - [ -0.0064777800000000, -0.0077278700000000, -0.0033687300000000 ] - [ -0.0049404000000000, -0.0066340000000000, -0.0037923200000000 ] - [ -0.0046406000000000, -0.0054130800000000, -0.0024184800000000 ] - [ 0.0048331100000000, -0.0139837400000000, 0.0039968100000000 ] - [ 0.0326319100000000, -0.0332947100000000, -0.0082641000000000 ] - [ 0.0047585400000000, -0.0139801600000000, 0.0043630700000000 ] - [ 0.0034411300000000, -0.0136891000000000, 0.0059608900000000 ] - [ 0.0068677600000000, 0.0053044800000000, -0.0360373700000000 ] - [ 0.0048073700000000, 0.0140576200000000, 0.0039637800000000 ] - [ 0.0037848200000000, 0.0140647500000000, 0.0058522300000000 ] - [ 0.0047020600000000, 0.0138252700000000, 0.0043643900000000 ] - [ -0.0002853300000000, 0.0091495700000000, 0.0006380800000000 ] - [ -0.0005689600000000, 0.0092715900000000, 0.0010373300000000 ] - [ 0.0004102000000000, 0.0076051200000000, 0.0002062700000000 ] - [ 0.0085715200000000, 0.0130624000000000, 0.0021115300000000 ] - [ -0.0020218500000000, -0.0084200300000000, 0.0010121900000000 ] - [ -0.0004560700000000, -0.0096638400000000, 0.0006234000000000 ] - [ 0.0004252600000000, -0.0101532500000000, 0.0033477600000000 ] - [ 0.0000055100000000, -0.0092432800000000, 0.0005113300000000 ] - [ -0.0052231200000000, 0.0061302600000000, -0.0035573500000000 ] - [ -0.0067207700000000, 0.0066091000000000, -0.0033550700000000 ] - [ -0.0047158900000000, 0.0062704100000000, -0.0034343300000000 ] - [ -0.0039433100000000, 0.0045985700000000, -0.0015326400000000 ] - [ -0.0034520300000000, -0.0064459500000000, -0.0054127200000000 ] - [ -0.0045162200000000, -0.0063846300000000, -0.0038169100000000 ] - [ -0.0051301400000000, -0.0060992200000000, -0.0031344000000000 ] - [ -0.0049759800000000, -0.0062935600000000, -0.0033768300000000 ] - [ 0.0052145500000000, -0.0141025500000000, 0.0040977700000000 ] - [ 0.0043617400000000, -0.0138222900000000, 0.0041652400000000 ] - [ 0.0050123800000000, -0.0139244400000000, 0.0044606100000000 ] - [ 0.0051929400000000, -0.0140279700000000, 0.0043212300000000 ] - [ 0.0044807200000000, 0.0142715300000000, 0.0039259400000000 ] - [ 0.0046469700000000, 0.0140370700000000, 0.0039752900000000 ] - [ 0.0055329500000000, 0.0135332400000000, 0.0049046400000000 ] - [ 0.0049891100000000, 0.0136320400000000, 0.0039971100000000 ]- atom: 33 displacement: [ 0.0099999566297759, 0.0000000000000000, -0.0000294516994565 ] forces: - [ 0.0032721300000000, -0.0034714000000000, 0.0018162700000000 ] - [ 0.0029255000000000, -0.0036797300000000, 0.0019353500000000 ] - [ 0.0008464300000000, -0.0051516400000000, 0.0012232300000000 ] - [ 0.0024005800000000, -0.0036570400000000, 0.0021689900000000 ] - [ 0.0027223900000000, 0.0039273100000000, 0.0025060000000000 ] - [ 0.0026362800000000, 0.0032717800000000, 0.0021520900000000 ] - [ 0.0018640500000000, 0.0044330000000000, 0.0016798100000000 ] - [ 0.0028559800000000, 0.0033242000000000, 0.0021668300000000 ] - [ -0.0028136700000000, -0.0052319600000000, -0.0043520800000000 ] - [ -0.0028331300000000, -0.0061094300000000, -0.0032807400000000 ] - [ -0.0050085800000000, -0.0045929700000000, -0.0030110500000000 ] - [ -0.0028948300000000, -0.0065425600000000, -0.0034967900000000 ] - [ -0.0025047800000000, 0.0060165100000000, -0.0032390800000000 ] - [ -0.0032360700000000, 0.0057467200000000, -0.0055511200000000 ] - [ -0.0028825700000000, 0.0056926300000000, -0.0033915400000000 ] - [ -0.0033670200000000, 0.0058887200000000, -0.0035636600000000 ] - [ 0.0029685300000000, -0.0034167700000000, 0.0025447000000000 ] - [ 0.0026273900000000, -0.0035557900000000, 0.0024121400000000 ] - [ 0.0093400700000000, -0.0100751500000000, 0.0074408300000000 ] - [ 0.0035449400000000, -0.0038336900000000, 0.0018546500000000 ] - [ 0.0029822400000000, 0.0032436600000000, 0.0025334900000000 ] - [ 0.0036847700000000, 0.0032122200000000, 0.0029087900000000 ] - [ 0.0032344800000000, 0.0044670000000000, 0.0020823000000000 ] - [ 0.0025590500000000, 0.0031917500000000, 0.0027006500000000 ] - [ -0.0026403300000000, -0.0060653500000000, -0.0029200900000000 ] - [ -0.0027559700000000, -0.0060154900000000, -0.0033209500000000 ] - [ 0.0601622100000000, 0.0205485800000000, 0.0238435900000000 ] - [ -0.0024783900000000, -0.0054107000000000, -0.0039689600000000 ] - [ -0.0027480700000000, 0.0060723000000000, -0.0013023700000000 ] - [ -0.0027163600000000, 0.0058036900000000, -0.0030975000000000 ] - [ -0.0009364900000000, 0.0071213700000000, -0.0030579100000000 ] - [ -0.0024335900000000, 0.0057348300000000, -0.0034692700000000 ] - [ -0.0812111800000000, -0.0159535100000000, -0.0323682800000000 ] - [ -0.0002956900000000, 0.0092754100000000, 0.0005240600000000 ] - [ -0.0002224800000000, 0.0092114300000000, 0.0004121500000000 ] - [ -0.0001108200000000, 0.0093072300000000, 0.0004663000000000 ] - [ 0.0001290300000000, -0.0080491200000000, -0.0014739200000000 ] - [ -0.0003775500000000, -0.0091508200000000, 0.0003044300000000 ] - [ 0.0001277100000000, -0.0108590800000000, -0.0007995100000000 ] - [ -0.0003777700000000, -0.0090362300000000, 0.0004939100000000 ] - [ -0.0047302400000000, 0.0058730400000000, -0.0031563400000000 ] - [ -0.0048918100000000, 0.0063575400000000, -0.0034569800000000 ] - [ -0.0016265300000000, 0.0051507100000000, -0.0040102600000000 ] - [ -0.0043958300000000, 0.0067299900000000, -0.0036268300000000 ] - [ -0.0045675100000000, -0.0065868300000000, -0.0023270100000000 ] - [ -0.0046673300000000, -0.0060264400000000, -0.0031846000000000 ] - [ -0.0046122600000000, -0.0059749800000000, -0.0033292100000000 ] - [ -0.0046917200000000, -0.0061444200000000, -0.0035112300000000 ] - [ 0.0048878500000000, -0.0138775100000000, 0.0041510900000000 ] - [ 0.0047814900000000, -0.0139843700000000, 0.0045115400000000 ] - [ 0.0049211100000000, -0.0146369200000000, 0.0041029800000000 ] - [ 0.0084635600000000, -0.0094010900000000, 0.0048011100000000 ] - [ 0.0043883800000000, 0.0137943800000000, 0.0050289000000000 ] - [ 0.0047250700000000, 0.0139721600000000, 0.0041237700000000 ] - [ 0.0052404700000000, 0.0139695200000000, 0.0040420800000000 ] - [ 0.0049938500000000, 0.0138900700000000, 0.0042824500000000 ] - [ 0.0001616800000000, 0.0096811900000000, 0.0006295600000000 ] - [ 0.0001645100000000, 0.0091925600000000, 0.0005832600000000 ] - [ -0.0001182300000000, 0.0092958600000000, 0.0009050000000000 ] - [ -0.0001180100000000, 0.0092974300000000, 0.0007396700000000 ] - [ 0.0001657800000000, -0.0095847800000000, 0.0007394500000000 ] - [ -0.0002306700000000, -0.0090726600000000, 0.0005062500000000 ] - [ 0.0001654300000000, -0.0095799400000000, 0.0006078200000000 ] - [ -0.0002303600000000, -0.0090770300000000, 0.0005294300000000 ] - [ -0.0047336700000000, 0.0059164500000000, -0.0040198300000000 ] - [ -0.0047826100000000, 0.0061763900000000, -0.0036812000000000 ] - [ -0.0054000900000000, 0.0071372300000000, -0.0036916300000000 ] - [ -0.0055304300000000, 0.0036909100000000, -0.0031955900000000 ] - [ -0.0049969600000000, -0.0063880200000000, -0.0039232100000000 ] - [ -0.0047446700000000, -0.0060780000000000, -0.0037068700000000 ] - [ -0.0061009200000000, -0.0056698700000000, -0.0052348500000000 ] - [ -0.0048764400000000, -0.0061884100000000, -0.0033946400000000 ] - [ 0.0046425500000000, -0.0139899800000000, 0.0043055400000000 ] - [ 0.0047973700000000, -0.0139077500000000, 0.0042338200000000 ] - [ 0.0111076700000000, -0.0113044200000000, 0.0049353400000000 ] - [ 0.0057422500000000, -0.0141297100000000, 0.0041244700000000 ] - [ 0.0049490300000000, 0.0139055200000000, 0.0038019000000000 ] - [ 0.0049417000000000, 0.0139793200000000, 0.0041316500000000 ] - [ 0.0060439300000000, 0.0140766000000000, 0.0067804600000000 ] - [ 0.0047242100000000, 0.0138843100000000, 0.0043469400000000 ]- atom: 33 displacement: [ -0.0099999566297759, 0.0000000000000000, 0.0000294516994565 ] forces: - [ 0.0025620700000000, -0.0035251600000000, 0.0026679800000000 ] - [ 0.0029059300000000, -0.0033099300000000, 0.0025506100000000 ] - [ 0.0049986300000000, -0.0018203500000000, 0.0032794900000000 ] - [ 0.0034272300000000, -0.0033352300000000, 0.0023185400000000 ] - [ 0.0031105200000000, 0.0030635900000000, 0.0019811100000000 ] - [ 0.0031951900000000, 0.0037229300000000, 0.0023345000000000 ] - [ 0.0039675700000000, 0.0025564400000000, 0.0028097100000000 ] - [ 0.0029728200000000, 0.0036707400000000, 0.0023197700000000 ] - [ -0.0026124900000000, -0.0066566000000000, -0.0024275000000000 ] - [ -0.0025870700000000, -0.0057733900000000, -0.0035035600000000 ] - [ -0.0004163900000000, -0.0072933800000000, -0.0037730400000000 ] - [ -0.0025221900000000, -0.0053412400000000, -0.0032853300000000 ] - [ -0.0029166900000000, 0.0058703900000000, -0.0035423100000000 ] - [ -0.0021833000000000, 0.0061348300000000, -0.0012394100000000 ] - [ -0.0025389300000000, 0.0061948600000000, -0.0033921400000000 ] - [ -0.0020532200000000, 0.0059965200000000, -0.0032206300000000 ] - [ 0.0028655100000000, -0.0035780700000000, 0.0019427200000000 ] - [ 0.0032033300000000, -0.0034355400000000, 0.0020747100000000 ] - [ -0.0034010000000000, 0.0027478100000000, -0.0028089500000000 ] - [ 0.0022827000000000, -0.0031544700000000, 0.0026344600000000 ] - [ 0.0028509000000000, 0.0037475600000000, 0.0019486800000000 ] - [ 0.0021447500000000, 0.0037840800000000, 0.0015978800000000 ] - [ 0.0025966100000000, 0.0025212800000000, 0.0024005300000000 ] - [ 0.0032911200000000, 0.0038084200000000, 0.0017865000000000 ] - [ -0.0027818900000000, -0.0058207100000000, -0.0038666100000000 ] - [ -0.0026651500000000, -0.0058664000000000, -0.0034631700000000 ] - [ -0.0675169700000000, -0.0337922400000000, -0.0317105900000000 ] - [ -0.0029354100000000, -0.0064547200000000, -0.0028188000000000 ] - [ -0.0026817100000000, 0.0058089300000000, -0.0054969900000000 ] - [ -0.0027057500000000, 0.0060830700000000, -0.0036841900000000 ] - [ -0.0044899200000000, 0.0047478200000000, -0.0037465200000000 ] - [ -0.0029865200000000, 0.0061527100000000, -0.0033152900000000 ] - [ 0.0826978000000000, 0.0361708000000000, 0.0343044800000000 ] - [ -0.0001089900000000, 0.0091701300000000, 0.0004901200000000 ] - [ -0.0001839300000000, 0.0092384700000000, 0.0006025700000000 ] - [ -0.0002960200000000, 0.0091400100000000, 0.0005481600000000 ] - [ -0.0005336200000000, -0.0104016300000000, 0.0025014900000000 ] - [ -0.0000289400000000, -0.0092995600000000, 0.0007074200000000 ] - [ -0.0005388500000000, -0.0075866100000000, 0.0018134100000000 ] - [ -0.0000304700000000, -0.0094155400000000, 0.0005200800000000 ] - [ -0.0049292900000000, 0.0065461500000000, -0.0039297600000000 ] - [ -0.0047669100000000, 0.0060576900000000, -0.0036268900000000 ] - [ -0.0080009700000000, 0.0072647400000000, -0.0030761600000000 ] - [ -0.0052602900000000, 0.0056868700000000, -0.0034577400000000 ] - [ -0.0050919700000000, -0.0058344400000000, -0.0047414600000000 ] - [ -0.0049926900000000, -0.0063919900000000, -0.0038982500000000 ] - [ -0.0050473800000000, -0.0064451200000000, -0.0037590700000000 ] - [ -0.0049669000000000, -0.0062724800000000, -0.0035732000000000 ] - [ 0.0047672300000000, -0.0140109600000000, 0.0042155100000000 ] - [ 0.0048734900000000, -0.0139024600000000, 0.0038565100000000 ] - [ 0.0047329500000000, -0.0132602700000000, 0.0042650800000000 ] - [ 0.0012055200000000, -0.0184450200000000, 0.0035676800000000 ] - [ 0.0052627200000000, 0.0140897500000000, 0.0033256500000000 ] - [ 0.0049298700000000, 0.0139150800000000, 0.0042435100000000 ] - [ 0.0044121600000000, 0.0139169200000000, 0.0043252400000000 ] - [ 0.0046605500000000, 0.0139980800000000, 0.0040847300000000 ] - [ -0.0005735700000000, 0.0087607700000000, 0.0003834600000000 ] - [ -0.0005704100000000, 0.0092560800000000, 0.0004318200000000 ] - [ -0.0002898100000000, 0.0091500600000000, 0.0001126600000000 ] - [ -0.0002885700000000, 0.0091500800000000, 0.0002733400000000 ] - [ -0.0005733100000000, -0.0088626100000000, 0.0002747300000000 ] - [ -0.0001756900000000, -0.0093783900000000, 0.0005078500000000 ] - [ -0.0005728700000000, -0.0088676000000000, 0.0004066000000000 ] - [ -0.0001755000000000, -0.0093737100000000, 0.0004854900000000 ] - [ -0.0049247100000000, 0.0064987600000000, -0.0030657900000000 ] - [ -0.0048801400000000, 0.0062390900000000, -0.0034000100000000 ] - [ -0.0042698200000000, 0.0052579000000000, -0.0033892800000000 ] - [ -0.0041227400000000, 0.0087022000000000, -0.0038861400000000 ] - [ -0.0046606300000000, -0.0060265800000000, -0.0031616300000000 ] - [ -0.0049148200000000, -0.0063393800000000, -0.0033776100000000 ] - [ -0.0035759500000000, -0.0067702900000000, -0.0018206000000000 ] - [ -0.0047826600000000, -0.0062291500000000, -0.0036895300000000 ] - [ 0.0050146600000000, -0.0138949600000000, 0.0040671900000000 ] - [ 0.0048573900000000, -0.0139801500000000, 0.0041340200000000 ] - [ -0.0015423000000000, -0.0166091400000000, 0.0034226200000000 ] - [ 0.0039121900000000, -0.0137618200000000, 0.0042415700000000 ] - [ 0.0047057300000000, 0.0139828900000000, 0.0045684100000000 ] - [ 0.0047143800000000, 0.0139072600000000, 0.0042357400000000 ] - [ 0.0036122900000000, 0.0138045900000000, 0.0015622800000000 ] - [ 0.0049315400000000, 0.0140009300000000, 0.0040215600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028941400000000, -0.0033361300000000, 0.0021114900000000 ] - [ 0.0029177800000000, -0.0038974100000000, 0.0020782300000000 ] - [ 0.0019481100000000, -0.0037243300000000, 0.0024362100000000 ] - [ 0.0031625100000000, -0.0037274400000000, 0.0022738400000000 ] - [ 0.0028221300000000, 0.0041881600000000, 0.0019642900000000 ] - [ 0.0027284200000000, 0.0030159300000000, 0.0022424600000000 ] - [ 0.0015516200000000, 0.0050621100000000, 0.0021356900000000 ] - [ 0.0032341400000000, 0.0029421900000000, 0.0022941100000000 ] - [ -0.0025460200000000, -0.0049339100000000, -0.0044618200000000 ] - [ -0.0028126900000000, -0.0062941100000000, -0.0030578300000000 ] - [ -0.0044746700000000, -0.0046910500000000, -0.0028979500000000 ] - [ -0.0019880800000000, -0.0063873800000000, -0.0036190000000000 ] - [ -0.0024132200000000, 0.0060993500000000, -0.0029641800000000 ] - [ -0.0031352000000000, 0.0058605800000000, -0.0051452400000000 ] - [ -0.0026567900000000, 0.0059715200000000, -0.0032460800000000 ] - [ -0.0031562100000000, 0.0056921600000000, -0.0034904300000000 ] - [ 0.0027162900000000, -0.0028234900000000, 0.0021719100000000 ] - [ 0.0030224200000000, -0.0038834200000000, 0.0026053800000000 ] - [ -0.0008217700000000, 0.0732746100000000, -0.0304417700000000 ] - [ 0.0051523200000000, -0.0057617200000000, 0.0015730000000000 ] - [ 0.0029531000000000, 0.0027628200000000, 0.0046660800000000 ] - [ 0.0034262700000000, 0.0033394100000000, -0.0002390500000000 ] - [ 0.0028267400000000, 0.0028154000000000, 0.0021528700000000 ] - [ 0.0012079000000000, 0.0024753800000000, 0.0025645100000000 ] - [ -0.0027742700000000, -0.0058099200000000, -0.0034897100000000 ] - [ -0.0028070400000000, -0.0063128300000000, -0.0033634500000000 ] - [ 0.0216009600000000, 0.0109955000000000, 0.0066571700000000 ] - [ -0.0040303800000000, -0.0092992900000000, -0.0022901900000000 ] - [ -0.0036568700000000, 0.0070737700000000, -0.0030128200000000 ] - [ -0.0024462300000000, 0.0051683200000000, -0.0037495900000000 ] - [ -0.0018019000000000, 0.0088344500000000, -0.0039568700000000 ] - [ -0.0027575500000000, 0.0050555100000000, -0.0034424000000000 ] - [ -0.0259304500000000, -0.1040693100000000, 0.0250532600000000 ] - [ -0.0001478700000000, 0.0106930000000000, 0.0004132100000000 ] - [ -0.0002166900000000, 0.0086641300000000, 0.0004702100000000 ] - [ -0.0001190300000000, 0.0095916400000000, 0.0004518900000000 ] - [ 0.0014204400000000, -0.0087845800000000, -0.0018941600000000 ] - [ -0.0003908300000000, -0.0087136800000000, 0.0009429600000000 ] - [ -0.0013736100000000, -0.0087838300000000, 0.0021685700000000 ] - [ -0.0002767300000000, -0.0087139600000000, 0.0005403700000000 ] - [ -0.0045495100000000, 0.0056013600000000, -0.0030599000000000 ] - [ -0.0049841000000000, 0.0065541300000000, -0.0035750700000000 ] - [ -0.0038953500000000, 0.0054647800000000, -0.0036778900000000 ] - [ -0.0053571500000000, 0.0067843100000000, -0.0035861300000000 ] - [ -0.0051741000000000, -0.0064932100000000, -0.0042079500000000 ] - [ -0.0046897600000000, -0.0059450500000000, -0.0032894000000000 ] - [ -0.0045568400000000, -0.0062450600000000, -0.0036294100000000 ] - [ -0.0047791900000000, -0.0060768700000000, -0.0035680700000000 ] - [ 0.0048232100000000, -0.0138860500000000, 0.0041280400000000 ] - [ 0.0047224200000000, -0.0140669300000000, 0.0044117700000000 ] - [ 0.0029909700000000, -0.0124149700000000, 0.0045139800000000 ] - [ 0.0080303100000000, -0.0112737900000000, 0.0047707600000000 ] - [ 0.0049150800000000, 0.0145691200000000, 0.0070797100000000 ] - [ 0.0045948600000000, 0.0140428000000000, 0.0037036700000000 ] - [ 0.0052522000000000, 0.0140882500000000, 0.0040208100000000 ] - [ 0.0047883200000000, 0.0139249600000000, 0.0041291100000000 ] - [ -0.0002319900000000, 0.0092832800000000, 0.0004740700000000 ] - [ 0.0002578400000000, 0.0092791800000000, 0.0004674300000000 ] - [ -0.0001274900000000, 0.0093982100000000, 0.0006119500000000 ] - [ -0.0001286900000000, 0.0093966000000000, 0.0007810200000000 ] - [ 0.0001551600000000, -0.0096365400000000, 0.0007982300000000 ] - [ -0.0003512600000000, -0.0089494600000000, 0.0004495700000000 ] - [ 0.0001603300000000, -0.0096370500000000, 0.0006174500000000 ] - [ -0.0003560000000000, -0.0089493900000000, 0.0003892500000000 ] - [ -0.0048294200000000, 0.0063376500000000, -0.0033819600000000 ] - [ -0.0044927900000000, 0.0063510300000000, -0.0038659300000000 ] - [ -0.0026050400000000, 0.0125892500000000, -0.0045350300000000 ] - [ -0.0063480700000000, 0.0133900700000000, -0.0040741800000000 ] - [ -0.0050129000000000, -0.0067965900000000, -0.0033510200000000 ] - [ -0.0046890100000000, -0.0057206200000000, -0.0039484000000000 ] - [ -0.0039023200000000, -0.0045521400000000, -0.0070713600000000 ] - [ -0.0049034300000000, -0.0056699700000000, -0.0033019100000000 ] - [ 0.0046420500000000, -0.0141636900000000, 0.0040927600000000 ] - [ 0.0049085100000000, -0.0138246500000000, 0.0042016200000000 ] - [ 0.0065504200000000, -0.0142752400000000, 0.0040841500000000 ] - [ 0.0045620700000000, -0.0127533100000000, 0.0045226300000000 ] - [ 0.0050395800000000, 0.0137300900000000, 0.0042166800000000 ] - [ 0.0048559500000000, 0.0141333200000000, 0.0041362500000000 ] - [ 0.0070097300000000, 0.0123778500000000, 0.0065007100000000 ] - [ 0.0048542300000000, 0.0144061900000000, 0.0038167800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029379800000000, -0.0036553300000000, 0.0023731000000000 ] - [ 0.0029140200000000, -0.0030945400000000, 0.0024082900000000 ] - [ 0.0038701100000000, -0.0032830500000000, 0.0020441800000000 ] - [ 0.0026725800000000, -0.0032643500000000, 0.0022169600000000 ] - [ 0.0030061900000000, 0.0028053500000000, 0.0025256000000000 ] - [ 0.0031032800000000, 0.0039744600000000, 0.0022425300000000 ] - [ 0.0042716400000000, 0.0019393200000000, 0.0023452700000000 ] - [ 0.0025989300000000, 0.0040476100000000, 0.0021937700000000 ] - [ -0.0028764100000000, -0.0069497900000000, -0.0023233000000000 ] - [ -0.0026111000000000, -0.0055934500000000, -0.0037265900000000 ] - [ -0.0009535900000000, -0.0071841300000000, -0.0038831700000000 ] - [ -0.0034341400000000, -0.0055058600000000, -0.0031612900000000 ] - [ -0.0030076300000000, 0.0057841800000000, -0.0038182900000000 ] - [ -0.0022837900000000, 0.0060280600000000, -0.0016478400000000 ] - [ -0.0027639700000000, 0.0059104900000000, -0.0035383600000000 ] - [ -0.0022679000000000, 0.0061936300000000, -0.0032940900000000 ] - [ 0.0031151200000000, -0.0041685600000000, 0.0023162300000000 ] - [ 0.0028103300000000, -0.0031111800000000, 0.0018799400000000 ] - [ 0.0066218500000000, -0.0772340600000000, 0.0334034200000000 ] - [ 0.0006682200000000, -0.0012334000000000, 0.0029146800000000 ] - [ 0.0028760900000000, 0.0042239400000000, -0.0001890700000000 ] - [ 0.0024043000000000, 0.0036614800000000, 0.0047129600000000 ] - [ 0.0030019800000000, 0.0041667900000000, 0.0023359100000000 ] - [ 0.0046257300000000, 0.0045163900000000, 0.0019225200000000 ] - [ -0.0026454100000000, -0.0060743100000000, -0.0032950400000000 ] - [ -0.0026148800000000, -0.0055721100000000, -0.0034215500000000 ] - [ -0.0274906100000000, -0.0229059900000000, -0.0136216800000000 ] - [ -0.0014032900000000, -0.0025969200000000, -0.0044853200000000 ] - [ -0.0017652900000000, 0.0048086500000000, -0.0037530800000000 ] - [ -0.0029738600000000, 0.0067151500000000, -0.0030399600000000 ] - [ -0.0036139100000000, 0.0030576000000000, -0.0028504100000000 ] - [ -0.0026656000000000, 0.0068273600000000, -0.0033417600000000 ] - [ 0.0260358200000000, 0.1194220900000000, -0.0223567200000000 ] - [ -0.0002527000000000, 0.0077575000000000, 0.0006020300000000 ] - [ -0.0001895700000000, 0.0097828800000000, 0.0005461600000000 ] - [ -0.0002860400000000, 0.0088570900000000, 0.0005640000000000 ] - [ -0.0018380800000000, -0.0096463200000000, 0.0029174400000000 ] - [ -0.0000141100000000, -0.0097339600000000, 0.0000752500000000 ] - [ 0.0009690400000000, -0.0096457700000000, -0.0011494100000000 ] - [ -0.0001284600000000, -0.0097342900000000, 0.0004752900000000 ] - [ -0.0051103600000000, 0.0068128800000000, -0.0040242200000000 ] - [ -0.0046765700000000, 0.0058629400000000, -0.0035102300000000 ] - [ -0.0057581600000000, 0.0069468900000000, -0.0034080700000000 ] - [ -0.0042999600000000, 0.0056298800000000, -0.0034995500000000 ] - [ -0.0044847200000000, -0.0059198800000000, -0.0028749400000000 ] - [ -0.0049712700000000, -0.0064722000000000, -0.0037941200000000 ] - [ -0.0051013400000000, -0.0061696300000000, -0.0034538600000000 ] - [ -0.0048808400000000, -0.0063398100000000, -0.0035181700000000 ] - [ 0.0048317500000000, -0.0139986300000000, 0.0042387100000000 ] - [ 0.0049324700000000, -0.0138189400000000, 0.0039560200000000 ] - [ 0.0066947800000000, -0.0155030200000000, 0.0038501300000000 ] - [ 0.0016621000000000, -0.0165635400000000, 0.0036028500000000 ] - [ 0.0047408400000000, 0.0133233200000000, 0.0013141300000000 ] - [ 0.0050610300000000, 0.0138430100000000, 0.0046634600000000 ] - [ 0.0044033000000000, 0.0137967400000000, 0.0043450200000000 ] - [ 0.0048660900000000, 0.0139635200000000, 0.0042360100000000 ] - [ -0.0001683200000000, 0.0091685200000000, 0.0005413000000000 ] - [ -0.0006624800000000, 0.0091646800000000, 0.0005475300000000 ] - [ -0.0002756500000000, 0.0090524700000000, 0.0004072400000000 ] - [ -0.0002762800000000, 0.0090509000000000, 0.0002349500000000 ] - [ -0.0005591000000000, -0.0088134600000000, 0.0002177100000000 ] - [ -0.0000544600000000, -0.0094965800000000, 0.0005662100000000 ] - [ -0.0005626500000000, -0.0088140000000000, 0.0003993500000000 ] - [ -0.0000497500000000, -0.0094964600000000, 0.0006274300000000 ] - [ -0.0048321600000000, 0.0060813000000000, -0.0036996400000000 ] - [ -0.0051671000000000, 0.0060647700000000, -0.0032198300000000 ] - [ -0.0070890800000000, -0.0002413900000000, -0.0025443600000000 ] - [ -0.0033482100000000, -0.0008944500000000, -0.0030176700000000 ] - [ -0.0046482900000000, -0.0056219000000000, -0.0037348900000000 ] - [ -0.0049707500000000, -0.0066929500000000, -0.0031335800000000 ] - [ -0.0057633100000000, -0.0078665500000000, -0.0000379600000000 ] - [ -0.0047555300000000, -0.0067441100000000, -0.0037831400000000 ] - [ 0.0050127600000000, -0.0137224800000000, 0.0042771400000000 ] - [ 0.0047469300000000, -0.0140612400000000, 0.0041654800000000 ] - [ 0.0031359300000000, -0.0135859300000000, 0.0042887900000000 ] - [ 0.0050827600000000, -0.0151233300000000, 0.0038460100000000 ] - [ 0.0046158100000000, 0.0141555300000000, 0.0041471700000000 ] - [ 0.0047989300000000, 0.0137530200000000, 0.0042315300000000 ] - [ 0.0026559500000000, 0.0155159500000000, 0.0018845400000000 ] - [ 0.0048020500000000, 0.0134815400000000, 0.0045469400000000 ]- atom: 33 displacement: [ -0.0051328375665862, 0.0000000000000000, 0.0085821896107603 ] forces: - [ 0.0027246600000000, -0.0035804400000000, 0.0020585100000000 ] - [ 0.0029007600000000, -0.0034429900000000, 0.0022564300000000 ] - [ 0.0039056500000000, -0.0021783300000000, 0.0033858200000000 ] - [ 0.0031750800000000, -0.0034105400000000, 0.0025828200000000 ] - [ 0.0031914300000000, 0.0034126600000000, 0.0017526600000000 ] - [ 0.0029623000000000, 0.0035516800000000, 0.0021912900000000 ] - [ 0.0019510200000000, 0.0041900200000000, 0.0021908400000000 ] - [ 0.0029231700000000, 0.0035262600000000, 0.0021660300000000 ] - [ -0.0026386400000000, -0.0056769600000000, -0.0037466200000000 ] - [ -0.0029776400000000, -0.0059788300000000, -0.0036309600000000 ] - [ -0.0020374900000000, -0.0066018000000000, -0.0030425300000000 ] - [ -0.0028816100000000, -0.0056604200000000, -0.0028691100000000 ] - [ -0.0028178500000000, 0.0057121900000000, -0.0038271300000000 ] - [ -0.0027694500000000, 0.0059774500000000, -0.0025994900000000 ] - [ -0.0026371500000000, 0.0059134100000000, -0.0035578100000000 ] - [ -0.0025774600000000, 0.0061670300000000, -0.0035730800000000 ] - [ 0.0031363100000000, -0.0036131100000000, 0.0019578800000000 ] - [ 0.0032618000000000, -0.0034800600000000, 0.0019033700000000 ] - [ 0.0032514200000000, -0.0289306500000000, 0.0150462500000000 ] - [ 0.0023104900000000, -0.0029815800000000, 0.0029599100000000 ] - [ 0.0027624900000000, 0.0040842000000000, 0.0020459500000000 ] - [ 0.0029019500000000, 0.0031422900000000, 0.0018133800000000 ] - [ 0.0024093700000000, 0.0019560600000000, 0.0022963600000000 ] - [ 0.0051396300000000, 0.0044314300000000, 0.0018549100000000 ] - [ -0.0024870600000000, -0.0059334500000000, -0.0040061500000000 ] - [ -0.0027254700000000, -0.0056610400000000, -0.0035808100000000 ] - [ -0.0110915500000000, -0.0102277900000000, -0.0047648800000000 ] - [ -0.0029417700000000, -0.0063327200000000, -0.0028675900000000 ] - [ -0.0020595400000000, 0.0057497200000000, -0.0045878300000000 ] - [ -0.0026905500000000, 0.0060656700000000, -0.0036471900000000 ] - [ -0.0026124400000000, 0.0046587700000000, -0.0058143400000000 ] - [ -0.0030327100000000, 0.0061697600000000, -0.0034637600000000 ] - [ 0.0130847300000000, 0.0427933500000000, -0.0200775800000000 ] - [ -0.0001395400000000, 0.0091154000000000, 0.0004208800000000 ] - [ -0.0002734900000000, 0.0091975800000000, 0.0006265800000000 ] - [ -0.0002847600000000, 0.0091329100000000, 0.0005875700000000 ] - [ -0.0014920000000000, -0.0112649600000000, 0.0036774900000000 ] - [ -0.0001232200000000, -0.0092910600000000, 0.0006054500000000 ] - [ -0.0020526900000000, -0.0063427400000000, 0.0032778400000000 ] - [ -0.0002857000000000, -0.0096917400000000, 0.0005088800000000 ] - [ -0.0047386000000000, 0.0060337000000000, -0.0033793400000000 ] - [ -0.0047778000000000, 0.0061568700000000, -0.0035411700000000 ] - [ -0.0065277000000000, 0.0065460800000000, -0.0035133400000000 ] - [ -0.0049251200000000, 0.0059127300000000, -0.0035810500000000 ] - [ -0.0042837300000000, -0.0063866400000000, -0.0025814700000000 ] - [ -0.0048785600000000, -0.0062748200000000, -0.0036288000000000 ] - [ -0.0046361200000000, -0.0063402900000000, -0.0038862900000000 ] - [ -0.0048280800000000, -0.0062726800000000, -0.0036067100000000 ] - [ 0.0048129000000000, -0.0139346600000000, 0.0043106000000000 ] - [ 0.0047194900000000, -0.0139627400000000, 0.0043494500000000 ] - [ 0.0050594300000000, -0.0135460700000000, 0.0039739000000000 ] - [ 0.0042186700000000, -0.0147229900000000, 0.0035384900000000 ] - [ 0.0052598300000000, 0.0148021100000000, 0.0062395900000000 ] - [ 0.0050195200000000, 0.0138863300000000, 0.0043975600000000 ] - [ 0.0044297800000000, 0.0139013600000000, 0.0041522600000000 ] - [ 0.0046366400000000, 0.0141712100000000, 0.0039646900000000 ] - [ -0.0003263400000000, 0.0089534200000000, 0.0003264900000000 ] - [ -0.0002849000000000, 0.0092106700000000, 0.0003509500000000 ] - [ -0.0000453100000000, 0.0094202500000000, 0.0007211400000000 ] - [ 0.0000947300000000, 0.0092735300000000, 0.0008044300000000 ] - [ -0.0003052400000000, -0.0091325700000000, 0.0004887000000000 ] - [ -0.0001696200000000, -0.0091997200000000, 0.0006222400000000 ] - [ -0.0001917000000000, -0.0092905300000000, 0.0005557600000000 ] - [ -0.0001888000000000, -0.0092499600000000, 0.0006107800000000 ] - [ -0.0049565200000000, 0.0066061400000000, -0.0029552500000000 ] - [ -0.0052428600000000, 0.0060954000000000, -0.0031095400000000 ] - [ -0.0051382000000000, 0.0040388500000000, -0.0038541400000000 ] - [ -0.0046671100000000, 0.0079360700000000, -0.0044886100000000 ] - [ -0.0048687600000000, -0.0060615400000000, -0.0032026600000000 ] - [ -0.0049088700000000, -0.0063454700000000, -0.0033442500000000 ] - [ -0.0058852700000000, -0.0099071900000000, 0.0002117100000000 ] - [ -0.0046891900000000, -0.0061644100000000, -0.0037381400000000 ] - [ 0.0048239700000000, -0.0137794000000000, 0.0045040800000000 ] - [ 0.0048935000000000, -0.0139721900000000, 0.0042269300000000 ] - [ 0.0011364900000000, -0.0154698700000000, 0.0029887500000000 ] - [ 0.0042038300000000, -0.0138121000000000, 0.0041524900000000 ] - [ 0.0046958000000000, 0.0139390800000000, 0.0045089100000000 ] - [ 0.0047572800000000, 0.0138439700000000, 0.0043206400000000 ] - [ 0.0073702900000000, 0.0143578400000000, 0.0055959900000000 ] - [ 0.0049697900000000, 0.0140735900000000, 0.0039839900000000 ]- atom: 33 displacement: [ 0.0051328375665862, 0.0000000000000000, -0.0085821896107603 ] forces: - [ 0.0031098700000000, -0.0034132000000000, 0.0024257500000000 ] - [ 0.0029307700000000, -0.0035501700000000, 0.0022309700000000 ] - [ 0.0019241100000000, -0.0048144300000000, 0.0010992400000000 ] - [ 0.0026547700000000, -0.0035820000000000, 0.0019048100000000 ] - [ 0.0026331300000000, 0.0035821900000000, 0.0027333200000000 ] - [ 0.0028688700000000, 0.0034396900000000, 0.0022943600000000 ] - [ 0.0038745900000000, 0.0028048300000000, 0.0022959400000000 ] - [ 0.0029087600000000, 0.0034659500000000, 0.0023218100000000 ] - [ -0.0027791700000000, -0.0062039600000000, -0.0030324900000000 ] - [ -0.0024449700000000, -0.0059066500000000, -0.0031519600000000 ] - [ -0.0033886700000000, -0.0052775400000000, -0.0037404400000000 ] - [ -0.0025406500000000, -0.0062254200000000, -0.0039167600000000 ] - [ -0.0026056900000000, 0.0061760500000000, -0.0029584700000000 ] - [ -0.0026479200000000, 0.0059085200000000, -0.0041927200000000 ] - [ -0.0027857200000000, 0.0059706100000000, -0.0032262400000000 ] - [ -0.0028455400000000, 0.0057177500000000, -0.0032103300000000 ] - [ 0.0026935400000000, -0.0033762400000000, 0.0025312800000000 ] - [ 0.0025683500000000, -0.0035116800000000, 0.0025852100000000 ] - [ 0.0024908900000000, 0.0220642100000000, -0.0103750100000000 ] - [ 0.0035186200000000, -0.0040117500000000, 0.0015298800000000 ] - [ 0.0030698500000000, 0.0028957400000000, 0.0024402600000000 ] - [ 0.0029263900000000, 0.0038483200000000, 0.0026736400000000 ] - [ 0.0034310700000000, 0.0050375800000000, 0.0021847400000000 ] - [ 0.0006793900000000, 0.0025594300000000, 0.0026327000000000 ] - [ -0.0029354600000000, -0.0059541800000000, -0.0027748900000000 ] - [ -0.0026962300000000, -0.0062249000000000, -0.0032024300000000 ] - [ 0.0059634300000000, -0.0015665200000000, -0.0019748700000000 ] - [ -0.0024777400000000, -0.0055442700000000, -0.0039211500000000 ] - [ -0.0033711200000000, 0.0061434800000000, -0.0022011200000000 ] - [ -0.0027326400000000, 0.0058189300000000, -0.0031376300000000 ] - [ -0.0028108600000000, 0.0072422100000000, -0.0009617800000000 ] - [ -0.0023873400000000, 0.0057119900000000, -0.0033207400000000 ] - [ -0.0137071200000000, -0.0245495600000000, 0.0209002600000000 ] - [ -0.0002641900000000, 0.0093315200000000, 0.0005952500000000 ] - [ -0.0001304900000000, 0.0092489700000000, 0.0003876900000000 ] - [ -0.0001199600000000, 0.0093150200000000, 0.0004274400000000 ] - [ 0.0010740400000000, -0.0072146200000000, -0.0026136000000000 ] - [ -0.0002797500000000, -0.0091589600000000, 0.0004101700000000 ] - [ 0.0016830800000000, -0.0121450600000000, -0.0023138700000000 ] - [ -0.0001188000000000, -0.0087537100000000, 0.0005070700000000 ] - [ -0.0049217400000000, 0.0063819300000000, -0.0037055400000000 ] - [ -0.0048829300000000, 0.0062594600000000, -0.0035442200000000 ] - [ -0.0031235600000000, 0.0058694200000000, -0.0035683900000000 ] - [ -0.0047361200000000, 0.0065031700000000, -0.0035037800000000 ] - [ -0.0053689300000000, -0.0060310700000000, -0.0044953600000000 ] - [ -0.0047821200000000, -0.0061411800000000, -0.0034558200000000 ] - [ -0.0050232400000000, -0.0060758800000000, -0.0031999900000000 ] - [ -0.0048325500000000, -0.0061436900000000, -0.0034787800000000 ] - [ 0.0048423600000000, -0.0139505700000000, 0.0040557500000000 ] - [ 0.0049353900000000, -0.0139234300000000, 0.0040160700000000 ] - [ 0.0045941100000000, -0.0143389600000000, 0.0043956700000000 ] - [ 0.0054517800000000, -0.0131385500000000, 0.0048309700000000 ] - [ 0.0044011900000000, 0.0131051400000000, 0.0021517200000000 ] - [ 0.0046344200000000, 0.0140003300000000, 0.0039688000000000 ] - [ 0.0052266600000000, 0.0139837300000000, 0.0042144500000000 ] - [ 0.0050196500000000, 0.0137131400000000, 0.0044025100000000 ] - [ -0.0000780500000000, 0.0094947000000000, 0.0006889800000000 ] - [ -0.0001178800000000, 0.0092358400000000, 0.0006648800000000 ] - [ -0.0003593000000000, 0.0090274900000000, 0.0002968200000000 ] - [ -0.0004990300000000, 0.0091740300000000, 0.0002128900000000 ] - [ -0.0000989500000000, -0.0093164700000000, 0.0005278300000000 ] - [ -0.0002362500000000, -0.0092469800000000, 0.0003930400000000 ] - [ -0.0002115000000000, -0.0091588700000000, 0.0004595800000000 ] - [ -0.0002163000000000, -0.0091977900000000, 0.0004049400000000 ] - [ -0.0047039500000000, 0.0058069500000000, -0.0041359800000000 ] - [ -0.0044153300000000, 0.0063198500000000, -0.0039781300000000 ] - [ -0.0045330600000000, 0.0083547700000000, -0.0032364400000000 ] - [ -0.0049916600000000, 0.0044638700000000, -0.0025944900000000 ] - [ -0.0047901500000000, -0.0063566500000000, -0.0038849200000000 ] - [ -0.0047499900000000, -0.0060684900000000, -0.0037421500000000 ] - [ -0.0037785100000000, -0.0024670800000000, -0.0073431100000000 ] - [ -0.0049712900000000, -0.0062493100000000, -0.0033467800000000 ] - [ 0.0048322300000000, -0.0141060800000000, 0.0038655800000000 ] - [ 0.0047610500000000, -0.0139130400000000, 0.0041397400000000 ] - [ 0.0085100400000000, -0.0124140200000000, 0.0053696100000000 ] - [ 0.0054528200000000, -0.0140745300000000, 0.0042137400000000 ] - [ 0.0049634300000000, 0.0139457000000000, 0.0038551900000000 ] - [ 0.0048981000000000, 0.0140420200000000, 0.0040458600000000 ] - [ 0.0022810100000000, 0.0135209600000000, 0.0027716000000000 ] - [ 0.0046846500000000, 0.0138120100000000, 0.0043823500000000 ]- atom: 41 displacement: [ 0.0099999566297759, 0.0000000000000000, -0.0000294516994565 ] forces: - [ 0.0436143400000000, -0.0224439000000000, -0.0093349900000000 ] - [ 0.0031240400000000, -0.0036753300000000, 0.0028700500000000 ] - [ 0.0034785100000000, -0.0030009100000000, 0.0038100000000000 ] - [ 0.0028525800000000, -0.0034279800000000, 0.0024978600000000 ] - [ 0.0026399000000000, 0.0029986200000000, 0.0028361700000000 ] - [ 0.0029087000000000, 0.0036210800000000, 0.0023797600000000 ] - [ 0.0085075900000000, 0.0009335700000000, 0.0096967600000000 ] - [ 0.0031216200000000, 0.0036492900000000, 0.0019563000000000 ] - [ 0.0027396000000000, 0.0011971800000000, -0.0072102900000000 ] - [ -0.0019607200000000, -0.0055137000000000, -0.0031414700000000 ] - [ -0.0026903400000000, -0.0060100000000000, -0.0032064300000000 ] - [ -0.0031090400000000, -0.0060011200000000, -0.0033797500000000 ] - [ -0.0027818900000000, 0.0065472100000000, -0.0033072700000000 ] - [ -0.0019792600000000, 0.0061591200000000, -0.0031707700000000 ] - [ -0.0026399800000000, 0.0049133300000000, -0.0041927800000000 ] - [ -0.0034125100000000, 0.0064720600000000, -0.0018956000000000 ] - [ 0.0013753500000000, -0.0050617100000000, 0.0019998500000000 ] - [ 0.0028307600000000, -0.0029293200000000, 0.0023081400000000 ] - [ 0.0029810100000000, -0.0037618400000000, 0.0019843500000000 ] - [ 0.0029149300000000, -0.0033329900000000, 0.0021808700000000 ] - [ 0.0031173600000000, 0.0035745600000000, 0.0022240900000000 ] - [ 0.0024812900000000, 0.0035486100000000, 0.0021586200000000 ] - [ 0.0027018100000000, 0.0037609300000000, 0.0020651700000000 ] - [ 0.0025018800000000, 0.0035615900000000, 0.0021459400000000 ] - [ -0.0043893900000000, -0.0042212900000000, -0.0021902300000000 ] - [ -0.0032558200000000, -0.0059234300000000, -0.0032616600000000 ] - [ -0.0024674400000000, -0.0063896700000000, -0.0042752600000000 ] - [ -0.0026059400000000, -0.0057677000000000, -0.0034614900000000 ] - [ -0.0027818600000000, 0.0055486900000000, -0.0030822400000000 ] - [ -0.0029315800000000, 0.0060849800000000, -0.0033541700000000 ] - [ -0.0029626500000000, 0.0058289100000000, -0.0051566500000000 ] - [ -0.0026743900000000, 0.0061000200000000, -0.0037362100000000 ] - [ -0.0001032700000000, 0.0095029500000000, 0.0006734200000000 ] - [ -0.0002647800000000, 0.0090697400000000, 0.0005316000000000 ] - [ 0.0029711100000000, 0.0101557800000000, 0.0004344300000000 ] - [ 0.0002293800000000, 0.0086954600000000, 0.0006567800000000 ] - [ 0.0000601800000000, -0.0088804700000000, 0.0012892600000000 ] - [ -0.0000408100000000, -0.0093635500000000, 0.0005485400000000 ] - [ 0.0000170000000000, -0.0094971100000000, 0.0008664300000000 ] - [ -0.0000643300000000, -0.0092747000000000, 0.0005931800000000 ] - [ -0.0668659600000000, 0.0244691000000000, 0.0082712500000000 ] - [ -0.0048408900000000, 0.0061635800000000, -0.0034138200000000 ] - [ -0.0046814000000000, 0.0061427000000000, -0.0041042400000000 ] - [ -0.0047525500000000, 0.0061612900000000, -0.0036518900000000 ] - [ -0.0041232200000000, -0.0070486000000000, -0.0047875700000000 ] - [ -0.0048951000000000, -0.0062830800000000, -0.0036597500000000 ] - [ -0.0041362100000000, -0.0046724100000000, -0.0076408400000000 ] - [ -0.0048952100000000, -0.0064437300000000, -0.0037703800000000 ] - [ 0.0049213500000000, -0.0131352300000000, 0.0043360800000000 ] - [ 0.0075379400000000, -0.0178047700000000, 0.0037070500000000 ] - [ 0.0049041000000000, -0.0141086800000000, 0.0040548200000000 ] - [ 0.0047247000000000, -0.0139296500000000, 0.0042667800000000 ] - [ 0.0039447800000000, 0.0132685700000000, 0.0049461100000000 ] - [ 0.0047309700000000, 0.0139041000000000, 0.0041451800000000 ] - [ 0.0051499600000000, 0.0138711400000000, 0.0039635800000000 ] - [ 0.0051110100000000, 0.0141114100000000, 0.0042801300000000 ] - [ -0.0001541700000000, 0.0095606100000000, 0.0000542700000000 ] - [ -0.0001034100000000, 0.0092237600000000, 0.0004152100000000 ] - [ -0.0009002300000000, 0.0077207700000000, 0.0002803700000000 ] - [ -0.0007689300000000, 0.0114636800000000, -0.0001776500000000 ] - [ -0.0003696600000000, -0.0090396200000000, 0.0003609900000000 ] - [ -0.0001164100000000, -0.0093663800000000, 0.0004660900000000 ] - [ -0.0014555000000000, -0.0101729100000000, -0.0014983900000000 ] - [ -0.0002488600000000, -0.0091495600000000, 0.0006448300000000 ] - [ -0.0047057800000000, 0.0058093200000000, -0.0035606600000000 ] - [ -0.0047074100000000, 0.0063016000000000, -0.0036077200000000 ] - [ -0.0048109200000000, 0.0061511900000000, -0.0032834800000000 ] - [ -0.0048116500000000, 0.0062234700000000, -0.0034876900000000 ] - [ -0.0046427700000000, -0.0058924300000000, -0.0034814300000000 ] - [ -0.0048712800000000, -0.0063764000000000, -0.0035536100000000 ] - [ -0.0046420700000000, -0.0059924700000000, -0.0033063300000000 ] - [ -0.0048715300000000, -0.0062978700000000, -0.0035107800000000 ] - [ 0.0116808500000000, -0.0162507500000000, 0.0035277300000000 ] - [ 0.0057485400000000, -0.0137907500000000, 0.0042193500000000 ] - [ 0.0046787700000000, -0.0139852200000000, 0.0040929200000000 ] - [ 0.0048055700000000, -0.0139797500000000, 0.0041324200000000 ] - [ 0.0050232900000000, 0.0140302300000000, 0.0037518900000000 ] - [ 0.0049312300000000, 0.0139087700000000, 0.0041481400000000 ] - [ 0.0047454700000000, 0.0138889300000000, 0.0067884900000000 ] - [ 0.0046796600000000, 0.0138990600000000, 0.0042922200000000 ]- atom: 41 displacement: [ -0.0099999566297759, 0.0000000000000000, 0.0000294516994565 ] forces: - [ -0.0365873000000000, 0.0144857100000000, 0.0132476500000000 ] - [ 0.0027031300000000, -0.0033035900000000, 0.0016115500000000 ] - [ 0.0023503500000000, -0.0039957400000000, 0.0006775600000000 ] - [ 0.0029793800000000, -0.0035612200000000, 0.0019898200000000 ] - [ 0.0031910100000000, 0.0039900500000000, 0.0016540000000000 ] - [ 0.0029238300000000, 0.0033725900000000, 0.0021083500000000 ] - [ -0.0027645900000000, 0.0060079300000000, -0.0054497400000000 ] - [ 0.0027106100000000, 0.0033452200000000, 0.0025314200000000 ] - [ -0.0082531700000000, -0.0133070800000000, 0.0004282300000000 ] - [ -0.0034609500000000, -0.0063652100000000, -0.0036444400000000 ] - [ -0.0027346900000000, -0.0058779400000000, -0.0035774600000000 ] - [ -0.0023111400000000, -0.0058825100000000, -0.0034044300000000 ] - [ -0.0026399800000000, 0.0053393700000000, -0.0034755700000000 ] - [ -0.0034452200000000, 0.0057244000000000, -0.0036151400000000 ] - [ -0.0027812900000000, 0.0069728000000000, -0.0025900400000000 ] - [ -0.0020247900000000, 0.0054185700000000, -0.0049008200000000 ] - [ 0.0044556400000000, -0.0019270300000000, 0.0024865200000000 ] - [ 0.0029987400000000, -0.0040638300000000, 0.0021799300000000 ] - [ 0.0028515300000000, -0.0032306300000000, 0.0025033200000000 ] - [ 0.0029174300000000, -0.0036589100000000, 0.0023065100000000 ] - [ 0.0027140700000000, 0.0034153700000000, 0.0022640800000000 ] - [ 0.0033543600000000, 0.0034444400000000, 0.0023311300000000 ] - [ 0.0031306900000000, 0.0032326900000000, 0.0024205200000000 ] - [ 0.0033295900000000, 0.0034312800000000, 0.0023414200000000 ] - [ -0.0010500300000000, -0.0076471200000000, -0.0045844900000000 ] - [ -0.0021626000000000, -0.0059612500000000, -0.0035224800000000 ] - [ -0.0029539800000000, -0.0054966500000000, -0.0025092800000000 ] - [ -0.0028152600000000, -0.0061173500000000, -0.0033212400000000 ] - [ -0.0026436700000000, 0.0063341100000000, -0.0037012100000000 ] - [ -0.0024888400000000, 0.0058007200000000, -0.0034288500000000 ] - [ -0.0024559700000000, 0.0060567600000000, -0.0016430700000000 ] - [ -0.0027458700000000, 0.0057864600000000, -0.0030469100000000 ] - [ -0.0003015400000000, 0.0089447900000000, 0.0003427000000000 ] - [ -0.0001400400000000, 0.0093769100000000, 0.0004837600000000 ] - [ -0.0034062400000000, 0.0082917700000000, 0.0005874200000000 ] - [ -0.0006370500000000, 0.0097521300000000, 0.0003586100000000 ] - [ -0.0004624000000000, -0.0095657300000000, -0.0002811500000000 ] - [ -0.0003649400000000, -0.0090833600000000, 0.0004666200000000 ] - [ -0.0004194500000000, -0.0089517900000000, 0.0001519500000000 ] - [ -0.0003404700000000, -0.0091725700000000, 0.0004224500000000 ] - [ 0.0561287000000000, -0.0108020800000000, -0.0145498300000000 ] - [ -0.0048219400000000, 0.0062511700000000, -0.0036715000000000 ] - [ -0.0049790800000000, 0.0062755500000000, -0.0029817500000000 ] - [ -0.0049082900000000, 0.0062534300000000, -0.0034335100000000 ] - [ -0.0055336700000000, -0.0053641100000000, -0.0023060200000000 ] - [ -0.0047657300000000, -0.0061335600000000, -0.0034235200000000 ] - [ -0.0055293900000000, -0.0077521100000000, 0.0005755100000000 ] - [ -0.0047652800000000, -0.0059749600000000, -0.0033147500000000 ] - [ 0.0047330200000000, -0.0147584000000000, 0.0040324000000000 ] - [ 0.0021052500000000, -0.0100411800000000, 0.0046674400000000 ] - [ 0.0047503700000000, -0.0137765900000000, 0.0043121300000000 ] - [ 0.0049310500000000, -0.0139550500000000, 0.0040994200000000 ] - [ 0.0057123600000000, 0.0146183000000000, 0.0034209600000000 ] - [ 0.0049235000000000, 0.0139800000000000, 0.0042214800000000 ] - [ 0.0045072800000000, 0.0140125800000000, 0.0044030300000000 ] - [ 0.0045438300000000, 0.0137734600000000, 0.0040863400000000 ] - [ -0.0002504900000000, 0.0088841300000000, 0.0009639400000000 ] - [ -0.0002973900000000, 0.0092217100000000, 0.0005975300000000 ] - [ 0.0005101700000000, 0.0107174800000000, 0.0007395000000000 ] - [ 0.0003641500000000, 0.0069736000000000, 0.0012031400000000 ] - [ -0.0000351600000000, -0.0094051400000000, 0.0006551500000000 ] - [ -0.0002878600000000, -0.0090819900000000, 0.0005501800000000 ] - [ 0.0010709200000000, -0.0082910500000000, 0.0024933000000000 ] - [ -0.0001555700000000, -0.0092986400000000, 0.0003705300000000 ] - [ -0.0049516000000000, 0.0066028100000000, -0.0035247400000000 ] - [ -0.0049530300000000, 0.0061125200000000, -0.0034774200000000 ] - [ -0.0048498900000000, 0.0062650000000000, -0.0038006700000000 ] - [ -0.0048493800000000, 0.0061933400000000, -0.0035988600000000 ] - [ -0.0050180500000000, -0.0065238100000000, -0.0036030000000000 ] - [ -0.0047896900000000, -0.0060393200000000, -0.0035318100000000 ] - [ -0.0050181400000000, -0.0064229900000000, -0.0037774700000000 ] - [ -0.0047902100000000, -0.0061189100000000, -0.0035745500000000 ] - [ -0.0019248600000000, -0.0116567800000000, 0.0048302000000000 ] - [ 0.0039080700000000, -0.0140959400000000, 0.0041473800000000 ] - [ 0.0049767300000000, -0.0138998800000000, 0.0042734900000000 ] - [ 0.0048489400000000, -0.0139054400000000, 0.0042338900000000 ] - [ 0.0046355200000000, 0.0138545400000000, 0.0046107900000000 ] - [ 0.0047232400000000, 0.0139759800000000, 0.0042182300000000 ] - [ 0.0049080300000000, 0.0139919200000000, 0.0015902900000000 ] - [ 0.0049747200000000, 0.0139858300000000, 0.0040739700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0134317400000000, 0.0096988800000000, 0.0046247200000000 ] - [ 0.0039904400000000, -0.0064038700000000, 0.0037437600000000 ] - [ 0.0034521700000000, -0.0034126900000000, 0.0032464900000000 ] - [ 0.0030185300000000, -0.0038011200000000, 0.0020017300000000 ] - [ 0.0039009400000000, 0.0044566400000000, 0.0023903900000000 ] - [ 0.0025803900000000, 0.0028483800000000, 0.0022514300000000 ] - [ 0.0009985200000000, 0.0120992400000000, 0.0068396400000000 ] - [ 0.0027774400000000, 0.0026895200000000, 0.0022571700000000 ] - [ 0.0031788200000000, 0.0440030800000000, -0.0126908800000000 ] - [ -0.0055156100000000, -0.0079451400000000, -0.0042084100000000 ] - [ -0.0026554400000000, -0.0053171500000000, -0.0036603300000000 ] - [ -0.0026715000000000, -0.0062778600000000, -0.0033560500000000 ] - [ -0.0026219200000000, 0.0052561700000000, -0.0038384600000000 ] - [ -0.0036345800000000, 0.0057936000000000, -0.0030118200000000 ] - [ -0.0029592400000000, 0.0054490100000000, -0.0031012700000000 ] - [ -0.0013463500000000, 0.0051653900000000, -0.0043493100000000 ] - [ 0.0043436800000000, -0.0024106500000000, 0.0027807700000000 ] - [ 0.0022799100000000, -0.0039772900000000, 0.0018925800000000 ] - [ 0.0028557800000000, -0.0028911500000000, 0.0022810600000000 ] - [ 0.0028287600000000, -0.0038268800000000, 0.0023546700000000 ] - [ 0.0026099500000000, 0.0039301500000000, 0.0024187200000000 ] - [ 0.0037132700000000, 0.0030314600000000, 0.0022872000000000 ] - [ 0.0029831000000000, 0.0033735100000000, 0.0022171000000000 ] - [ 0.0031600700000000, 0.0033203800000000, 0.0020719500000000 ] - [ -0.0018371200000000, -0.0061016900000000, -0.0033449300000000 ] - [ -0.0028566300000000, -0.0059838600000000, -0.0033862700000000 ] - [ -0.0030700900000000, -0.0055499400000000, -0.0017227900000000 ] - [ -0.0028701100000000, -0.0062248400000000, -0.0035603700000000 ] - [ -0.0025570500000000, 0.0063307600000000, -0.0031719000000000 ] - [ -0.0025271400000000, 0.0056134200000000, -0.0033809900000000 ] - [ -0.0019420400000000, 0.0068505900000000, -0.0032117600000000 ] - [ -0.0028500800000000, 0.0054539700000000, -0.0036835800000000 ] - [ -0.0005420500000000, 0.0086181300000000, 0.0001014200000000 ] - [ -0.0000533700000000, 0.0095710600000000, 0.0005371900000000 ] - [ -0.0012645800000000, 0.0084799200000000, 0.0002680200000000 ] - [ 0.0003165100000000, 0.0098011300000000, 0.0004746600000000 ] - [ 0.0001754800000000, -0.0095103900000000, 0.0009403900000000 ] - [ -0.0003868000000000, -0.0089603700000000, 0.0004753400000000 ] - [ -0.0004397600000000, -0.0092617100000000, 0.0005205300000000 ] - [ -0.0002673800000000, -0.0090929100000000, 0.0005445800000000 ] - [ 0.0125548100000000, -0.0828965300000000, 0.0000385300000000 ] - [ -0.0048748800000000, 0.0074393300000000, -0.0036809400000000 ] - [ -0.0048956800000000, 0.0057655500000000, -0.0036740400000000 ] - [ -0.0048750000000000, 0.0064760400000000, -0.0034803800000000 ] - [ -0.0063653700000000, -0.0064505300000000, -0.0019939500000000 ] - [ -0.0045953600000000, -0.0057742000000000, -0.0039438700000000 ] - [ -0.0039951100000000, -0.0064434300000000, -0.0064178100000000 ] - [ -0.0047535800000000, -0.0057758300000000, -0.0033262100000000 ] - [ 0.0069188700000000, -0.0119907600000000, 0.0044639700000000 ] - [ 0.0019802300000000, -0.0112549200000000, 0.0044613100000000 ] - [ 0.0048262500000000, -0.0137281400000000, 0.0043035400000000 ] - [ 0.0049859900000000, -0.0141101900000000, 0.0040604100000000 ] - [ 0.0047199600000000, 0.0154784600000000, 0.0022428900000000 ] - [ 0.0052019700000000, 0.0139659500000000, 0.0045090200000000 ] - [ 0.0045149600000000, 0.0140335400000000, 0.0044777000000000 ] - [ 0.0047963800000000, 0.0139609600000000, 0.0041344200000000 ] - [ -0.0002348700000000, 0.0093695900000000, 0.0003556900000000 ] - [ -0.0004933800000000, 0.0093525800000000, 0.0007988200000000 ] - [ -0.0026843300000000, 0.0163323200000000, 0.0010355300000000 ] - [ 0.0007425400000000, 0.0156734000000000, -0.0014537600000000 ] - [ -0.0000219800000000, -0.0098125600000000, 0.0004426400000000 ] - [ -0.0003338600000000, -0.0087374200000000, 0.0005905600000000 ] - [ -0.0007358500000000, -0.0075672000000000, 0.0045354900000000 ] - [ -0.0002243900000000, -0.0086854300000000, 0.0004453800000000 ] - [ -0.0047362700000000, 0.0063276200000000, -0.0035157900000000 ] - [ -0.0052264500000000, 0.0063251000000000, -0.0034856100000000 ] - [ -0.0048153200000000, 0.0062592900000000, -0.0039387100000000 ] - [ -0.0048862900000000, 0.0062588400000000, -0.0036300600000000 ] - [ -0.0050457800000000, -0.0065009900000000, -0.0037628200000000 ] - [ -0.0047395700000000, -0.0060524200000000, -0.0035113300000000 ] - [ -0.0051460800000000, -0.0065016400000000, -0.0035844400000000 ] - [ -0.0046605000000000, -0.0060514400000000, -0.0035082400000000 ] - [ 0.0033681800000000, -0.0142477400000000, 0.0041025300000000 ] - [ 0.0050955000000000, -0.0128244300000000, 0.0044678200000000 ] - [ 0.0048628700000000, -0.0139311900000000, 0.0038392600000000 ] - [ 0.0048100900000000, -0.0138933400000000, 0.0043068200000000 ] - [ 0.0045655400000000, 0.0138433700000000, 0.0041796800000000 ] - [ 0.0047997800000000, 0.0140487800000000, 0.0041391700000000 ] - [ 0.0038868600000000, 0.0134491700000000, 0.0009559500000000 ] - [ 0.0048459300000000, 0.0139855600000000, 0.0041784200000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0196974000000000, -0.0167727500000000, -0.0003202900000000 ] - [ 0.0018509300000000, -0.0005973100000000, 0.0007500400000000 ] - [ 0.0023824200000000, -0.0035762500000000, 0.0012543700000000 ] - [ 0.0028138300000000, -0.0031904000000000, 0.0024846400000000 ] - [ 0.0019309600000000, 0.0025375300000000, 0.0020996000000000 ] - [ 0.0032497700000000, 0.0041422500000000, 0.0022388000000000 ] - [ 0.0047913800000000, -0.0051198500000000, -0.0025444800000000 ] - [ 0.0030549400000000, 0.0043008300000000, 0.0022265500000000 ] - [ -0.0084879600000000, -0.0536845100000000, 0.0052324200000000 ] - [ 0.0000987800000000, -0.0039530400000000, -0.0025783200000000 ] - [ -0.0027670500000000, -0.0065660300000000, -0.0031251500000000 ] - [ -0.0027522600000000, -0.0056090300000000, -0.0034270400000000 ] - [ -0.0027981200000000, 0.0066298100000000, -0.0029441400000000 ] - [ -0.0017901100000000, 0.0060925500000000, -0.0037684100000000 ] - [ -0.0024603000000000, 0.0064258300000000, -0.0036857300000000 ] - [ -0.0040833000000000, 0.0067261700000000, -0.0024466400000000 ] - [ 0.0014982700000000, -0.0045762700000000, 0.0017087600000000 ] - [ 0.0035528700000000, -0.0030235000000000, 0.0025974300000000 ] - [ 0.0029760800000000, -0.0040997500000000, 0.0022076000000000 ] - [ 0.0030035000000000, -0.0031672400000000, 0.0021322300000000 ] - [ 0.0032194000000000, 0.0030667300000000, 0.0020719400000000 ] - [ 0.0021190200000000, 0.0039612800000000, 0.0022032100000000 ] - [ 0.0028471300000000, 0.0036173500000000, 0.0022680600000000 ] - [ 0.0026732000000000, 0.0036738800000000, 0.0024113300000000 ] - [ -0.0035706600000000, -0.0057927900000000, -0.0034437900000000 ] - [ -0.0025665700000000, -0.0059007000000000, -0.0033959300000000 ] - [ -0.0023501900000000, -0.0063313100000000, -0.0050472900000000 ] - [ -0.0025518000000000, -0.0056598000000000, -0.0032246200000000 ] - [ -0.0028616000000000, 0.0055541500000000, -0.0036075600000000 ] - [ -0.0028941300000000, 0.0062704400000000, -0.0034013300000000 ] - [ -0.0034711500000000, 0.0050389900000000, -0.0035673700000000 ] - [ -0.0025721100000000, 0.0064294700000000, -0.0031066400000000 ] - [ 0.0001346200000000, 0.0098280900000000, 0.0009119800000000 ] - [ -0.0003522400000000, 0.0088782000000000, 0.0004779000000000 ] - [ 0.0008517600000000, 0.0099603900000000, 0.0007454500000000 ] - [ -0.0007253600000000, 0.0086450300000000, 0.0005395700000000 ] - [ -0.0005784600000000, -0.0089367300000000, 0.0000754400000000 ] - [ -0.0000200300000000, -0.0094871400000000, 0.0005391300000000 ] - [ 0.0000312300000000, -0.0091858900000000, 0.0004942900000000 ] - [ -0.0001385500000000, -0.0093554600000000, 0.0004716200000000 ] - [ -0.0227241800000000, 0.0931723100000000, -0.0060705900000000 ] - [ -0.0047877100000000, 0.0049811500000000, -0.0034028700000000 ] - [ -0.0047631300000000, 0.0066496800000000, -0.0034136400000000 ] - [ -0.0047843500000000, 0.0059416800000000, -0.0036051800000000 ] - [ -0.0032958800000000, -0.0059657000000000, -0.0050911800000000 ] - [ -0.0050629600000000, -0.0066405000000000, -0.0031442900000000 ] - [ -0.0056637400000000, -0.0059585400000000, -0.0006915300000000 ] - [ -0.0049054100000000, -0.0066419900000000, -0.0037575700000000 ] - [ 0.0026979300000000, -0.0159340400000000, 0.0039013400000000 ] - [ 0.0076384000000000, -0.0165792300000000, 0.0039138200000000 ] - [ 0.0048287800000000, -0.0141585200000000, 0.0040629100000000 ] - [ 0.0046695800000000, -0.0137775000000000, 0.0043048300000000 ] - [ 0.0049394800000000, 0.0124079200000000, 0.0061132100000000 ] - [ 0.0044531300000000, 0.0139209500000000, 0.0038581100000000 ] - [ 0.0051407500000000, 0.0138524700000000, 0.0038905700000000 ] - [ 0.0048607300000000, 0.0139284400000000, 0.0042311900000000 ] - [ -0.0001702700000000, 0.0090818300000000, 0.0006557800000000 ] - [ 0.0000882200000000, 0.0090945500000000, 0.0002153700000000 ] - [ 0.0023253900000000, 0.0020461500000000, -0.0000141100000000 ] - [ -0.0011237800000000, 0.0028410700000000, 0.0024590400000000 ] - [ -0.0003818900000000, -0.0086375100000000, 0.0005715200000000 ] - [ -0.0000719300000000, -0.0097094400000000, 0.0004247200000000 ] - [ 0.0003421400000000, -0.0108810900000000, -0.0034888600000000 ] - [ -0.0001823100000000, -0.0097591800000000, 0.0005695900000000 ] - [ -0.0049267500000000, 0.0060908700000000, -0.0035680400000000 ] - [ -0.0044344100000000, 0.0060885700000000, -0.0035981900000000 ] - [ -0.0048441700000000, 0.0061580000000000, -0.0031509800000000 ] - [ -0.0047729700000000, 0.0061575100000000, -0.0034560100000000 ] - [ -0.0046151200000000, -0.0059167300000000, -0.0033238900000000 ] - [ -0.0049197300000000, -0.0063639200000000, -0.0035753100000000 ] - [ -0.0045158200000000, -0.0059172900000000, -0.0035011000000000 ] - [ -0.0049989300000000, -0.0063629500000000, -0.0035764000000000 ] - [ 0.0062532800000000, -0.0136238000000000, 0.0042716500000000 ] - [ 0.0045683200000000, -0.0150526400000000, 0.0039011000000000 ] - [ 0.0047914800000000, -0.0139554700000000, 0.0045236700000000 ] - [ 0.0048446100000000, -0.0139935700000000, 0.0040602100000000 ] - [ 0.0050875100000000, 0.0140434500000000, 0.0041879900000000 ] - [ 0.0048555500000000, 0.0138387100000000, 0.0042263600000000 ] - [ 0.0057661900000000, 0.0144404100000000, 0.0073904000000000 ] - [ 0.0048083900000000, 0.0139007000000000, 0.0041887200000000 ]- atom: 41 displacement: [ -0.0051328375665862, 0.0000000000000000, 0.0085821896107603 ] forces: - [ -0.0255562500000000, 0.0074713900000000, 0.0151318200000000 ] - [ 0.0027871500000000, -0.0029927100000000, 0.0017575900000000 ] - [ 0.0024494700000000, -0.0041547500000000, -0.0002182200000000 ] - [ 0.0029929300000000, -0.0038255100000000, 0.0018989500000000 ] - [ 0.0044456100000000, 0.0048843900000000, 0.0014653900000000 ] - [ 0.0030864700000000, 0.0033087400000000, 0.0017997100000000 ] - [ 0.0055350400000000, 0.0086122900000000, 0.0456386700000000 ] - [ 0.0026057800000000, 0.0034354500000000, 0.0026898200000000 ] - [ -0.0087494300000000, -0.0164301100000000, 0.0055208400000000 ] - [ -0.0032138300000000, -0.0061705900000000, -0.0033262300000000 ] - [ -0.0022038100000000, -0.0058082700000000, -0.0036948300000000 ] - [ -0.0020127400000000, -0.0058623700000000, -0.0036025800000000 ] - [ -0.0030858900000000, 0.0036330800000000, -0.0034325500000000 ] - [ -0.0015253200000000, 0.0064190000000000, -0.0036973800000000 ] - [ -0.0028319500000000, 0.0074759100000000, -0.0024287400000000 ] - [ -0.0002593900000000, 0.0046390700000000, -0.0030802100000000 ] - [ 0.0038975100000000, -0.0025512200000000, 0.0025768400000000 ] - [ 0.0031635700000000, -0.0037801800000000, 0.0023295000000000 ] - [ 0.0027965800000000, -0.0037028900000000, 0.0019686900000000 ] - [ 0.0024893200000000, -0.0035575900000000, 0.0022105200000000 ] - [ 0.0028655400000000, 0.0031662600000000, 0.0019843500000000 ] - [ 0.0012143400000000, 0.0041729100000000, 0.0021978200000000 ] - [ 0.0031464200000000, 0.0034578700000000, 0.0025159500000000 ] - [ 0.0031628600000000, 0.0032674400000000, 0.0025635000000000 ] - [ -0.0015581900000000, -0.0068831300000000, -0.0040193400000000 ] - [ -0.0023081000000000, -0.0059761500000000, -0.0033745000000000 ] - [ -0.0027559200000000, -0.0061730100000000, -0.0049020700000000 ] - [ -0.0028197400000000, -0.0058569800000000, -0.0034963900000000 ] - [ -0.0026979700000000, 0.0064750600000000, -0.0039737400000000 ] - [ -0.0027282900000000, 0.0059691200000000, -0.0036544200000000 ] - [ -0.0038304800000000, 0.0053589200000000, -0.0013694600000000 ] - [ -0.0027414800000000, 0.0058917000000000, -0.0029465900000000 ] - [ 0.0000808700000000, 0.0094947900000000, 0.0007857400000000 ] - [ -0.0000972600000000, 0.0092743500000000, 0.0005405600000000 ] - [ -0.0022436800000000, 0.0086300900000000, 0.0003336900000000 ] - [ -0.0004985200000000, 0.0094556700000000, 0.0003496800000000 ] - [ 0.0006964200000000, -0.0088300900000000, 0.0016783000000000 ] - [ 0.0000206800000000, -0.0093677700000000, 0.0005836300000000 ] - [ -0.0001297800000000, -0.0090085800000000, 0.0000916300000000 ] - [ -0.0002465600000000, -0.0091763100000000, 0.0004155500000000 ] - [ 0.0357116400000000, 0.0000241500000000, -0.0885244000000000 ] - [ -0.0047145600000000, 0.0061096000000000, -0.0036814300000000 ] - [ -0.0053857200000000, 0.0061326000000000, -0.0024185400000000 ] - [ -0.0049635100000000, 0.0062838600000000, -0.0033265300000000 ] - [ -0.0086799800000000, -0.0033415700000000, 0.0007924900000000 ] - [ -0.0049932500000000, -0.0063552200000000, -0.0034929200000000 ] - [ -0.0062570300000000, -0.0083411400000000, 0.0023356200000000 ] - [ -0.0048991400000000, -0.0057449700000000, -0.0034400300000000 ] - [ 0.0046764800000000, -0.0145929800000000, 0.0037490400000000 ] - [ 0.0028464100000000, -0.0113484100000000, 0.0034231000000000 ] - [ 0.0048741300000000, -0.0134039100000000, 0.0047401900000000 ] - [ 0.0044184000000000, -0.0138463500000000, 0.0046998800000000 ] - [ 0.0059072200000000, 0.0099710400000000, 0.0079292500000000 ] - [ 0.0050885900000000, 0.0141393100000000, 0.0041642400000000 ] - [ 0.0042658400000000, 0.0140292500000000, 0.0043558200000000 ] - [ 0.0044108900000000, 0.0136276800000000, 0.0042172500000000 ] - [ -0.0003460000000000, 0.0087710600000000, 0.0011061500000000 ] - [ -0.0006586300000000, 0.0093588400000000, 0.0008994900000000 ] - [ 0.0004539400000000, 0.0095475700000000, -0.0001479800000000 ] - [ -0.0000446500000000, 0.0072027200000000, 0.0004850700000000 ] - [ -0.0004427800000000, -0.0094804500000000, 0.0007297800000000 ] - [ -0.0003861400000000, -0.0088034100000000, 0.0006437800000000 ] - [ -0.0010018700000000, -0.0057113300000000, 0.0044518900000000 ] - [ -0.0000516000000000, -0.0094695800000000, 0.0003172000000000 ] - [ -0.0049491600000000, 0.0064589200000000, -0.0035974500000000 ] - [ -0.0049081800000000, 0.0061819500000000, -0.0035735300000000 ] - [ -0.0047909400000000, 0.0061617100000000, -0.0030774200000000 ] - [ -0.0046178100000000, 0.0058629400000000, -0.0029749700000000 ] - [ -0.0047248000000000, -0.0063332000000000, -0.0036474800000000 ] - [ -0.0047826500000000, -0.0061511200000000, -0.0035144300000000 ] - [ -0.0048748300000000, -0.0061294600000000, -0.0037385900000000 ] - [ -0.0048193400000000, -0.0061903100000000, -0.0035374200000000 ] - [ 0.0006822100000000, -0.0125869700000000, 0.0035437200000000 ] - [ 0.0042279400000000, -0.0141244200000000, 0.0040397000000000 ] - [ 0.0049837300000000, -0.0138331300000000, 0.0047602300000000 ] - [ 0.0049110000000000, -0.0139109100000000, 0.0043119200000000 ] - [ 0.0044370300000000, 0.0138039100000000, 0.0043997100000000 ] - [ 0.0046913600000000, 0.0140143200000000, 0.0042297600000000 ] - [ 0.0063382500000000, 0.0137749000000000, 0.0064931700000000 ] - [ 0.0050255600000000, 0.0138571800000000, 0.0040631700000000 ]- atom: 41 displacement: [ 0.0051328375665862, 0.0000000000000000, -0.0085821896107603 ] forces: - [ 0.0322797400000000, -0.0150603500000000, -0.0107629400000000 ] - [ 0.0030371900000000, -0.0039831000000000, 0.0027199200000000 ] - [ 0.0033753700000000, -0.0028435500000000, 0.0046964100000000 ] - [ 0.0028391200000000, -0.0031663900000000, 0.0025890200000000 ] - [ 0.0013835500000000, 0.0021016200000000, 0.0030182400000000 ] - [ 0.0027471800000000, 0.0036867700000000, 0.0026868300000000 ] - [ 0.0005898300000000, -0.0015176900000000, -0.0394392500000000 ] - [ 0.0032261300000000, 0.0035592200000000, 0.0018010300000000 ] - [ 0.0032926500000000, 0.0045678600000000, -0.0122308400000000 ] - [ -0.0022168100000000, -0.0057111700000000, -0.0034611500000000 ] - [ -0.0032176700000000, -0.0060807300000000, -0.0030884600000000 ] - [ -0.0034083100000000, -0.0060193500000000, -0.0031821600000000 ] - [ -0.0023346000000000, 0.0082580000000000, -0.0033582000000000 ] - [ -0.0038907300000000, 0.0054685100000000, -0.0030904100000000 ] - [ -0.0025917600000000, 0.0044172100000000, -0.0043524500000000 ] - [ -0.0051592800000000, 0.0072430200000000, -0.0036888500000000 ] - [ 0.0019241400000000, -0.0044467600000000, 0.0019049500000000 ] - [ 0.0026738500000000, -0.0032093700000000, 0.0021574700000000 ] - [ 0.0030336200000000, -0.0032901900000000, 0.0025197400000000 ] - [ 0.0033434100000000, -0.0034325500000000, 0.0022775600000000 ] - [ 0.0029641200000000, 0.0038274300000000, 0.0025019000000000 ] - [ 0.0046171400000000, 0.0028228100000000, 0.0022818100000000 ] - [ 0.0026873600000000, 0.0035352200000000, 0.0019733300000000 ] - [ 0.0026684800000000, 0.0037241300000000, 0.0019272300000000 ] - [ -0.0038630000000000, -0.0050031600000000, -0.0027679100000000 ] - [ -0.0031091200000000, -0.0059092300000000, -0.0034118000000000 ] - [ -0.0026661300000000, -0.0057131500000000, -0.0018860100000000 ] - [ -0.0026020300000000, -0.0060293700000000, -0.0032866000000000 ] - [ -0.0027236500000000, 0.0054050900000000, -0.0028144300000000 ] - [ -0.0026930000000000, 0.0059177300000000, -0.0031296800000000 ] - [ -0.0015926300000000, 0.0065214100000000, -0.0054113600000000 ] - [ -0.0026803700000000, 0.0059949500000000, -0.0038317000000000 ] - [ -0.0004827600000000, 0.0089553100000000, 0.0002321100000000 ] - [ -0.0003077700000000, 0.0091723400000000, 0.0004745700000000 ] - [ 0.0018302400000000, 0.0098181900000000, 0.0006794200000000 ] - [ 0.0000908800000000, 0.0089876700000000, 0.0006665900000000 ] - [ -0.0011136400000000, -0.0096206500000000, -0.0006688800000000 ] - [ -0.0004255100000000, -0.0090794000000000, 0.0004321500000000 ] - [ -0.0002732000000000, -0.0094390300000000, 0.0009238500000000 ] - [ -0.0001583100000000, -0.0092717100000000, 0.0005989800000000 ] - [ -0.0464978100000000, 0.0129046500000000, 0.0797707300000000 ] - [ -0.0049442900000000, 0.0063035100000000, -0.0034042200000000 ] - [ -0.0042757500000000, 0.0062880000000000, -0.0046650400000000 ] - [ -0.0046970500000000, 0.0061301500000000, -0.0037583500000000 ] - [ -0.0009383000000000, -0.0091127900000000, -0.0079444300000000 ] - [ -0.0046690500000000, -0.0060629600000000, -0.0035886500000000 ] - [ -0.0034371400000000, -0.0041074000000000, -0.0093449300000000 ] - [ -0.0047629600000000, -0.0066711300000000, -0.0036483900000000 ] - [ 0.0049786800000000, -0.0132943800000000, 0.0046139800000000 ] - [ 0.0068230400000000, -0.0165390900000000, 0.0049245900000000 ] - [ 0.0047793900000000, -0.0144846400000000, 0.0036238500000000 ] - [ 0.0052358100000000, -0.0140384400000000, 0.0036681000000000 ] - [ 0.0037251600000000, 0.0179432000000000, 0.0004083700000000 ] - [ 0.0045672000000000, 0.0137454200000000, 0.0042040500000000 ] - [ 0.0053892700000000, 0.0138556000000000, 0.0040078500000000 ] - [ 0.0052426000000000, 0.0142556900000000, 0.0041492000000000 ] - [ -0.0000584100000000, 0.0096718900000000, -0.0000853000000000 ] - [ 0.0002555700000000, 0.0090877700000000, 0.0001145700000000 ] - [ -0.0008577600000000, 0.0089144300000000, 0.0011557700000000 ] - [ -0.0003657200000000, 0.0112126700000000, 0.0005488600000000 ] - [ 0.0000364600000000, -0.0089641200000000, 0.0002871800000000 ] - [ -0.0000173200000000, -0.0096476100000000, 0.0003715000000000 ] - [ 0.0006086300000000, -0.0127032200000000, -0.0033995900000000 ] - [ -0.0003521300000000, -0.0089809400000000, 0.0006977200000000 ] - [ -0.0047105500000000, 0.0059557700000000, -0.0034876800000000 ] - [ -0.0047505800000000, 0.0062347100000000, -0.0035121900000000 ] - [ -0.0048691900000000, 0.0062529300000000, -0.0040070200000000 ] - [ -0.0050446700000000, 0.0065537800000000, -0.0041130300000000 ] - [ -0.0049350600000000, -0.0060811500000000, -0.0034357000000000 ] - [ -0.0048788200000000, -0.0062663500000000, -0.0035708400000000 ] - [ -0.0047850300000000, -0.0062851400000000, -0.0033472600000000 ] - [ -0.0048420800000000, -0.0062279000000000, -0.0035499000000000 ] - [ 0.0089770100000000, -0.0152962800000000, 0.0048341600000000 ] - [ 0.0054198400000000, -0.0137644700000000, 0.0043254900000000 ] - [ 0.0046710400000000, -0.0140511500000000, 0.0036073400000000 ] - [ 0.0047436800000000, -0.0139742200000000, 0.0040545500000000 ] - [ 0.0052173000000000, 0.0140815500000000, 0.0039679800000000 ] - [ 0.0049628400000000, 0.0138699800000000, 0.0041378400000000 ] - [ 0.0033323300000000, 0.0141061600000000, 0.0018866700000000 ] - [ 0.0046301400000000, 0.0140279700000000, 0.0043021200000000 ]- atom: 49 displacement: [ 0.0099999566297759, 0.0000000000000000, -0.0000294516994565 ] forces: - [ 0.0027857500000000, -0.0061462300000000, 0.0031917500000000 ] - [ 0.0009238500000000, -0.0035430100000000, 0.0031949100000000 ] - [ 0.0027268100000000, -0.0032559900000000, 0.0019505900000000 ] - [ 0.0030854100000000, -0.0035307800000000, 0.0019859000000000 ] - [ 0.0023506800000000, 0.0034916500000000, 0.0022548200000000 ] - [ 0.0024794500000000, 0.0037249000000000, 0.0025537100000000 ] - [ 0.0030573900000000, 0.0032963900000000, 0.0016934300000000 ] - [ 0.0032061200000000, 0.0053093300000000, 0.0017096200000000 ] - [ -0.0021324600000000, -0.0063299700000000, -0.0030533700000000 ] - [ 0.0371833300000000, -0.0281970100000000, -0.0132986500000000 ] - [ -0.0027666100000000, -0.0059817000000000, -0.0033439700000000 ] - [ -0.0020502900000000, -0.0053634200000000, -0.0013671700000000 ] - [ -0.0035469800000000, 0.0057254900000000, -0.0026672500000000 ] - [ -0.0027535700000000, 0.0060551300000000, -0.0032692300000000 ] - [ 0.0067711900000000, 0.0062056500000000, -0.0004461000000000 ] - [ -0.0026423500000000, 0.0060588300000000, -0.0033304300000000 ] - [ 0.0034373800000000, -0.0032536500000000, 0.0019184500000000 ] - [ 0.0335210300000000, 0.0191513000000000, 0.0101923100000000 ] - [ 0.0029146700000000, -0.0034920900000000, 0.0023128700000000 ] - [ 0.0027056500000000, -0.0036353700000000, 0.0025232200000000 ] - [ 0.0045238200000000, 0.0035766200000000, 0.0019858300000000 ] - [ 0.0030615900000000, 0.0033934400000000, 0.0021569100000000 ] - [ 0.0017805700000000, 0.0038186100000000, 0.0041385600000000 ] - [ 0.0029426200000000, 0.0033281200000000, 0.0027326900000000 ] - [ -0.0030070700000000, -0.0038694600000000, -0.0040156700000000 ] - [ -0.0052000900000000, -0.0059002100000000, -0.0043317700000000 ] - [ -0.0026943500000000, -0.0060316900000000, -0.0035963600000000 ] - [ -0.0025550200000000, -0.0058420600000000, -0.0037231800000000 ] - [ -0.0025793100000000, 0.0059516300000000, -0.0035030300000000 ] - [ -0.0024399800000000, 0.0048256600000000, -0.0040494900000000 ] - [ -0.0032776600000000, 0.0060050900000000, -0.0035232600000000 ] - [ -0.0032649300000000, 0.0058121000000000, -0.0033221400000000 ] - [ -0.0001419200000000, 0.0092201700000000, 0.0005256400000000 ] - [ -0.0002490200000000, 0.0091188000000000, 0.0003540300000000 ] - [ -0.0001065900000000, 0.0073825600000000, 0.0008352900000000 ] - [ 0.0034294000000000, 0.0123937700000000, 0.0019640300000000 ] - [ -0.0006450600000000, -0.0092991800000000, 0.0007349900000000 ] - [ -0.0003040200000000, -0.0089922600000000, 0.0006702700000000 ] - [ 0.0002122400000000, -0.0096496500000000, 0.0002920400000000 ] - [ -0.0000365700000000, -0.0091845800000000, 0.0003853400000000 ] - [ -0.0047371700000000, 0.0083290000000000, -0.0036612500000000 ] - [ -0.0021151300000000, 0.0033687800000000, -0.0042313200000000 ] - [ -0.0047519700000000, 0.0062056600000000, -0.0034458800000000 ] - [ -0.0049351500000000, 0.0063664800000000, -0.0040836800000000 ] - [ -0.0045100500000000, -0.0058942500000000, -0.0040064500000000 ] - [ -0.0045478200000000, -0.0061755600000000, -0.0038582500000000 ] - [ -0.0057194900000000, -0.0061121000000000, -0.0028365300000000 ] - [ -0.0049254500000000, -0.0065802700000000, -0.0032955200000000 ] - [ -0.0948936400000000, -0.0149868100000000, 0.0025443300000000 ] - [ 0.0041155500000000, -0.0139592200000000, 0.0041751900000000 ] - [ 0.0052259400000000, -0.0140043100000000, 0.0034738000000000 ] - [ 0.0048646000000000, -0.0139695900000000, 0.0041234300000000 ] - [ 0.0047049400000000, 0.0140279400000000, 0.0040390500000000 ] - [ 0.0053135900000000, 0.0138057000000000, 0.0022642100000000 ] - [ 0.0047053800000000, 0.0139640700000000, 0.0041108700000000 ] - [ 0.0053114300000000, 0.0143760100000000, -0.0008475200000000 ] - [ -0.0003888200000000, 0.0090391700000000, 0.0003887100000000 ] - [ -0.0002323400000000, 0.0093045200000000, 0.0005667800000000 ] - [ 0.0061620600000000, 0.0109304700000000, -0.0000021900000000 ] - [ 0.0007161600000000, 0.0089644700000000, 0.0003271100000000 ] - [ -0.0000887000000000, -0.0092528600000000, 0.0004926400000000 ] - [ -0.0000794800000000, -0.0094349300000000, 0.0004244300000000 ] - [ -0.0003071300000000, -0.0092529400000000, 0.0006135700000000 ] - [ 0.0010127900000000, -0.0113973500000000, 0.0042039300000000 ] - [ 0.0019169100000000, 0.0047695900000000, -0.0043021000000000 ] - [ -0.0039144600000000, 0.0064726300000000, -0.0036859200000000 ] - [ -0.0049782000000000, 0.0062441500000000, -0.0034527600000000 ] - [ -0.0048513300000000, 0.0061906600000000, -0.0034586600000000 ] - [ -0.0049778100000000, -0.0062257800000000, -0.0034006400000000 ] - [ -0.0049165700000000, -0.0052804800000000, -0.0018548100000000 ] - [ -0.0047264000000000, -0.0061799900000000, -0.0036386600000000 ] - [ -0.0046351400000000, -0.0059472400000000, -0.0038811800000000 ] - [ 0.0053941700000000, -0.0138598600000000, 0.0042321800000000 ] - [ 0.0053940300000000, -0.0138471300000000, 0.0041970000000000 ] - [ 0.0047178600000000, -0.0139323200000000, 0.0042259000000000 ] - [ 0.0047213600000000, -0.0137038500000000, 0.0046419100000000 ] - [ 0.0049772100000000, 0.0137695900000000, 0.0043937400000000 ] - [ 0.0051485100000000, 0.0139358000000000, 0.0044683400000000 ] - [ 0.0049764300000000, 0.0138584400000000, 0.0042404900000000 ] - [ 0.0051482100000000, 0.0137268200000000, 0.0043795700000000 ]- atom: 49 displacement: [ -0.0099999566297759, 0.0000000000000000, 0.0000294516994565 ] forces: - [ 0.0030539600000000, -0.0008467700000000, 0.0012957600000000 ] - [ 0.0049093400000000, -0.0034548900000000, 0.0012930700000000 ] - [ 0.0031060500000000, -0.0037425200000000, 0.0025552600000000 ] - [ 0.0027464300000000, -0.0034617400000000, 0.0025021200000000 ] - [ 0.0034832200000000, 0.0034995100000000, 0.0022374600000000 ] - [ 0.0033526100000000, 0.0032669500000000, 0.0019351000000000 ] - [ 0.0027858500000000, 0.0037019200000000, 0.0027845600000000 ] - [ 0.0026278300000000, 0.0016700200000000, 0.0027737100000000 ] - [ -0.0032897000000000, -0.0055566300000000, -0.0037287600000000 ] - [ -0.0411452900000000, 0.0153160800000000, 0.0059007200000000 ] - [ -0.0026556700000000, -0.0059009800000000, -0.0034404100000000 ] - [ -0.0033713900000000, -0.0065252000000000, -0.0054097700000000 ] - [ -0.0018725000000000, 0.0061611000000000, -0.0041141100000000 ] - [ -0.0026693000000000, 0.0058290800000000, -0.0035134200000000 ] - [ -0.0122084100000000, 0.0057074900000000, -0.0064706600000000 ] - [ -0.0027807000000000, 0.0058262100000000, -0.0034584900000000 ] - [ 0.0023943700000000, -0.0037405400000000, 0.0025720200000000 ] - [ -0.0287230800000000, -0.0270991400000000, -0.0062554500000000 ] - [ 0.0029171700000000, -0.0035012900000000, 0.0021744200000000 ] - [ 0.0031246100000000, -0.0033567700000000, 0.0019640700000000 ] - [ 0.0013021600000000, 0.0034236800000000, 0.0025209900000000 ] - [ 0.0027696100000000, 0.0035980200000000, 0.0023325100000000 ] - [ 0.0040413600000000, 0.0031803800000000, 0.0003330900000000 ] - [ 0.0028881700000000, 0.0036636300000000, 0.0017508400000000 ] - [ -0.0024193500000000, -0.0080224900000000, -0.0027667400000000 ] - [ -0.0002199600000000, -0.0059888300000000, -0.0024524900000000 ] - [ -0.0027258800000000, -0.0058534700000000, -0.0031846200000000 ] - [ -0.0028682000000000, -0.0060440500000000, -0.0030598000000000 ] - [ -0.0028316200000000, 0.0059280300000000, -0.0032748500000000 ] - [ -0.0029812700000000, 0.0070623100000000, -0.0027311600000000 ] - [ -0.0021433000000000, 0.0058804100000000, -0.0032653200000000 ] - [ -0.0021560600000000, 0.0060721600000000, -0.0034648200000000 ] - [ -0.0002631400000000, 0.0092287600000000, 0.0004884100000000 ] - [ -0.0001545300000000, 0.0093303800000000, 0.0006633700000000 ] - [ -0.0002973600000000, 0.0110884800000000, 0.0001775000000000 ] - [ -0.0038341600000000, 0.0060296200000000, -0.0009477200000000 ] - [ 0.0002326200000000, -0.0091419900000000, 0.0002734500000000 ] - [ -0.0001008100000000, -0.0094558800000000, 0.0003445200000000 ] - [ -0.0006160500000000, -0.0087997600000000, 0.0007250900000000 ] - [ -0.0003690700000000, -0.0092621700000000, 0.0006313200000000 ] - [ -0.0049234800000000, 0.0041102900000000, -0.0034237500000000 ] - [ -0.0075464800000000, 0.0090286700000000, -0.0028512000000000 ] - [ -0.0049065500000000, 0.0062091900000000, -0.0036451900000000 ] - [ -0.0047248100000000, 0.0060498100000000, -0.0030020700000000 ] - [ -0.0051508900000000, -0.0065222000000000, -0.0030797200000000 ] - [ -0.0051122500000000, -0.0062400000000000, -0.0032267400000000 ] - [ -0.0039515100000000, -0.0063206100000000, -0.0042958000000000 ] - [ -0.0047341500000000, -0.0058336900000000, -0.0037890100000000 ] - [ 0.1041733000000000, -0.0109390700000000, 0.0071364800000000 ] - [ 0.0055397600000000, -0.0139244300000000, 0.0041931500000000 ] - [ 0.0044289500000000, -0.0138818900000000, 0.0048915500000000 ] - [ 0.0047908700000000, -0.0139170400000000, 0.0042433900000000 ] - [ 0.0049507500000000, 0.0138584700000000, 0.0043263100000000 ] - [ 0.0043387900000000, 0.0140751100000000, 0.0061014200000000 ] - [ 0.0049508200000000, 0.0139215200000000, 0.0042567700000000 ] - [ 0.0043553800000000, 0.0134984600000000, 0.0092194300000000 ] - [ -0.0000156700000000, 0.0094096500000000, 0.0006237200000000 ] - [ -0.0001728400000000, 0.0091432600000000, 0.0004484100000000 ] - [ -0.0064805700000000, 0.0075155700000000, 0.0010200600000000 ] - [ -0.0011135100000000, 0.0094874200000000, 0.0006879300000000 ] - [ -0.0003165700000000, -0.0091955800000000, 0.0005215200000000 ] - [ -0.0003249800000000, -0.0090114500000000, 0.0005918000000000 ] - [ -0.0000998400000000, -0.0091987000000000, 0.0004039300000000 ] - [ -0.0014254500000000, -0.0070573800000000, -0.0031745900000000 ] - [ -0.0116877600000000, 0.0076547200000000, -0.0027778400000000 ] - [ -0.0057535200000000, 0.0059474300000000, -0.0033983700000000 ] - [ -0.0046808600000000, 0.0061710200000000, -0.0036356600000000 ] - [ -0.0048084400000000, 0.0062262500000000, -0.0036273100000000 ] - [ -0.0046826500000000, -0.0061885700000000, -0.0036858200000000 ] - [ -0.0047484300000000, -0.0071412300000000, -0.0052410100000000 ] - [ -0.0049337000000000, -0.0062360000000000, -0.0034462200000000 ] - [ -0.0050231000000000, -0.0064693900000000, -0.0032028600000000 ] - [ 0.0042602900000000, -0.0140210900000000, 0.0041363500000000 ] - [ 0.0042604100000000, -0.0140352800000000, 0.0041714900000000 ] - [ 0.0049325600000000, -0.0139544800000000, 0.0041328900000000 ] - [ 0.0049336500000000, -0.0141825700000000, 0.0037228900000000 ] - [ 0.0046760000000000, 0.0141172200000000, 0.0039717800000000 ] - [ 0.0045057100000000, 0.0139499800000000, 0.0038982600000000 ] - [ 0.0046762400000000, 0.0140267300000000, 0.0041263000000000 ] - [ 0.0045059400000000, 0.0141607600000000, 0.0039865400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029030400000000, -0.0045563600000000, 0.0024486600000000 ] - [ 0.0046270300000000, -0.0039579400000000, 0.0011299600000000 ] - [ 0.0028857500000000, -0.0025970700000000, 0.0005596500000000 ] - [ 0.0028995700000000, -0.0034761500000000, 0.0023914000000000 ] - [ 0.0027600300000000, 0.0033699200000000, 0.0018818000000000 ] - [ 0.0028733600000000, 0.0039279900000000, 0.0020956800000000 ] - [ 0.0020341000000000, 0.0028149900000000, 0.0028514000000000 ] - [ 0.0030100300000000, 0.0040167600000000, 0.0038004800000000 ] - [ -0.0028640800000000, -0.0065661000000000, -0.0034363000000000 ] - [ -0.0254451600000000, 0.0130985400000000, 0.0057016300000000 ] - [ -0.0026890900000000, -0.0062713400000000, -0.0033350600000000 ] - [ -0.0024497100000000, -0.0059383700000000, -0.0035273400000000 ] - [ -0.0026031400000000, 0.0060283300000000, -0.0031805000000000 ] - [ -0.0026585100000000, 0.0057482000000000, -0.0034972800000000 ] - [ -0.0031261400000000, 0.0106534800000000, -0.0137230100000000 ] - [ -0.0025526100000000, 0.0056589600000000, -0.0031639900000000 ] - [ 0.0030848100000000, -0.0037453600000000, 0.0020549900000000 ] - [ 0.0266139700000000, 0.0201087700000000, 0.0121568800000000 ] - [ 0.0029294600000000, -0.0036125500000000, 0.0022909400000000 ] - [ 0.0029703600000000, -0.0034893900000000, 0.0021088100000000 ] - [ 0.0030972500000000, 0.0030937900000000, 0.0023095700000000 ] - [ 0.0029092600000000, 0.0033467800000000, 0.0021679300000000 ] - [ 0.0031808100000000, 0.0035991300000000, 0.0014452100000000 ] - [ 0.0029375400000000, 0.0033350700000000, 0.0027193600000000 ] - [ -0.0029234600000000, -0.0067101800000000, -0.0033331100000000 ] - [ -0.0044862400000000, -0.0062228000000000, -0.0045833200000000 ] - [ -0.0029014200000000, -0.0057518400000000, -0.0035262400000000 ] - [ -0.0026980700000000, -0.0059047900000000, -0.0032853000000000 ] - [ -0.0029110400000000, 0.0060348600000000, -0.0038741600000000 ] - [ -0.0026470700000000, 0.0060836600000000, -0.0038320200000000 ] - [ -0.0027368100000000, 0.0056241200000000, -0.0032973200000000 ] - [ -0.0027806000000000, 0.0061874800000000, -0.0030531100000000 ] - [ -0.0001367400000000, 0.0092805000000000, 0.0005561800000000 ] - [ -0.0002447700000000, 0.0091009200000000, 0.0004593000000000 ] - [ -0.0009012300000000, 0.0107823100000000, 0.0005604700000000 ] - [ 0.0043065900000000, 0.0118536100000000, 0.0022894400000000 ] - [ -0.0000563400000000, -0.0085966700000000, -0.0003988500000000 ] - [ -0.0002320000000000, -0.0091241000000000, 0.0005562700000000 ] - [ -0.0002294900000000, -0.0090780000000000, 0.0005387500000000 ] - [ -0.0001502000000000, -0.0092428600000000, 0.0002720700000000 ] - [ -0.0040080000000000, 0.0081981300000000, -0.0038155400000000 ] - [ -0.0086891600000000, 0.0088526300000000, -0.0028418900000000 ] - [ -0.0049946800000000, 0.0064249200000000, -0.0030089700000000 ] - [ -0.0048165100000000, 0.0060432600000000, -0.0034240500000000 ] - [ -0.0047588600000000, -0.0061186800000000, -0.0036009000000000 ] - [ -0.0049971000000000, -0.0061931700000000, -0.0032783700000000 ] - [ -0.0041384700000000, -0.0046651100000000, 0.0015380100000000 ] - [ -0.0047921100000000, -0.0061860600000000, -0.0037497800000000 ] - [ 0.0028556800000000, -0.0687998600000000, -0.0089046500000000 ] - [ 0.0048095200000000, -0.0140154600000000, 0.0041831200000000 ] - [ 0.0047660300000000, -0.0139414600000000, 0.0041395400000000 ] - [ 0.0048011300000000, -0.0138631000000000, 0.0042275900000000 ] - [ 0.0048057800000000, 0.0140070100000000, 0.0042274100000000 ] - [ 0.0043905700000000, 0.0134951000000000, 0.0040004200000000 ] - [ 0.0047423000000000, 0.0140068900000000, 0.0040295000000000 ] - [ 0.0049619100000000, 0.0134967300000000, 0.0040087500000000 ] - [ -0.0002506800000000, 0.0090033300000000, 0.0006690500000000 ] - [ -0.0001674700000000, 0.0093433400000000, 0.0004938200000000 ] - [ 0.0024518500000000, 0.0088726500000000, 0.0003150600000000 ] - [ -0.0003862300000000, 0.0104079000000000, 0.0005497000000000 ] - [ -0.0002392100000000, -0.0090339500000000, 0.0006008600000000 ] - [ -0.0001646500000000, -0.0094365800000000, 0.0005333700000000 ] - [ -0.0001454600000000, -0.0087610800000000, 0.0003882400000000 ] - [ -0.0003439900000000, -0.0107895000000000, -0.0000695700000000 ] - [ -0.0071282500000000, 0.0058926300000000, -0.0033356700000000 ] - [ -0.0046782900000000, 0.0073213500000000, -0.0036611800000000 ] - [ -0.0048718700000000, 0.0062223500000000, -0.0034408800000000 ] - [ -0.0048666100000000, 0.0062595300000000, -0.0035282500000000 ] - [ -0.0047858000000000, -0.0061675200000000, -0.0034162400000000 ] - [ -0.0047781900000000, -0.0067085100000000, -0.0033201300000000 ] - [ -0.0047962900000000, -0.0061041400000000, -0.0036068900000000 ] - [ -0.0049166400000000, -0.0063092300000000, -0.0034327300000000 ] - [ 0.0049217800000000, -0.0137143200000000, 0.0042579700000000 ] - [ 0.0049078700000000, -0.0137139700000000, 0.0041313800000000 ] - [ 0.0050698000000000, -0.0139557000000000, 0.0047331400000000 ] - [ 0.0048388200000000, -0.0139558500000000, 0.0042505100000000 ] - [ 0.0049123200000000, 0.0140098700000000, 0.0042412600000000 ] - [ 0.0050454300000000, 0.0138293200000000, 0.0045423900000000 ] - [ 0.0050013100000000, 0.0140102400000000, 0.0041348100000000 ] - [ 0.0048334000000000, 0.0138297800000000, 0.0039398400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029288300000000, -0.0024391600000000, 0.0020351000000000 ] - [ 0.0012009600000000, -0.0030373600000000, 0.0033628900000000 ] - [ 0.0029457400000000, -0.0043853500000000, 0.0039197000000000 ] - [ 0.0029323900000000, -0.0035170100000000, 0.0020962200000000 ] - [ 0.0030706000000000, 0.0036240400000000, 0.0026030100000000 ] - [ 0.0029580300000000, 0.0030642700000000, 0.0023930400000000 ] - [ 0.0037942000000000, 0.0041739100000000, 0.0016444200000000 ] - [ 0.0028225400000000, 0.0029651900000000, 0.0006828400000000 ] - [ -0.0025508100000000, -0.0053138200000000, -0.0033478700000000 ] - [ 0.0204160200000000, -0.0249067500000000, -0.0126668600000000 ] - [ -0.0027320600000000, -0.0056160200000000, -0.0034487200000000 ] - [ -0.0029691600000000, -0.0059459300000000, -0.0032510700000000 ] - [ -0.0028195000000000, 0.0058537200000000, -0.0036011500000000 ] - [ -0.0027625100000000, 0.0061375100000000, -0.0032859900000000 ] - [ -0.0023096500000000, 0.0013807900000000, 0.0067147200000000 ] - [ -0.0028683100000000, 0.0062248400000000, -0.0036195500000000 ] - [ 0.0027437300000000, -0.0032364400000000, 0.0024295900000000 ] - [ -0.0213476300000000, -0.0271718000000000, -0.0079448500000000 ] - [ 0.0029027000000000, -0.0033797400000000, 0.0021962900000000 ] - [ 0.0028623000000000, -0.0035042200000000, 0.0023788200000000 ] - [ 0.0027350300000000, 0.0038908400000000, 0.0021926200000000 ] - [ 0.0029235100000000, 0.0036451000000000, 0.0023194900000000 ] - [ 0.0026507300000000, 0.0033964300000000, 0.0030372200000000 ] - [ 0.0028949100000000, 0.0036570900000000, 0.0017658000000000 ] - [ -0.0025022000000000, -0.0051818400000000, -0.0034541800000000 ] - [ -0.0009392200000000, -0.0056674200000000, -0.0021964800000000 ] - [ -0.0025213000000000, -0.0061315300000000, -0.0032581700000000 ] - [ -0.0027230700000000, -0.0059808300000000, -0.0034989900000000 ] - [ -0.0025124900000000, 0.0058530100000000, -0.0029138800000000 ] - [ -0.0027757200000000, 0.0058046400000000, -0.0029510700000000 ] - [ -0.0026848900000000, 0.0062602900000000, -0.0034851700000000 ] - [ -0.0026405700000000, 0.0056969000000000, -0.0037337900000000 ] - [ -0.0002681900000000, 0.0091662200000000, 0.0004593300000000 ] - [ -0.0001604100000000, 0.0093470100000000, 0.0005557200000000 ] - [ 0.0004775300000000, 0.0076924300000000, 0.0004613300000000 ] - [ -0.0047459400000000, 0.0065622800000000, -0.0012782400000000 ] - [ -0.0003444000000000, -0.0098427400000000, 0.0014064800000000 ] - [ -0.0001730300000000, -0.0093237300000000, 0.0004591200000000 ] - [ -0.0001749600000000, -0.0093696100000000, 0.0004758900000000 ] - [ -0.0002545700000000, -0.0092040600000000, 0.0007437600000000 ] - [ -0.0056316100000000, 0.0042520400000000, -0.0032721700000000 ] - [ -0.0009317400000000, 0.0035255800000000, -0.0042498200000000 ] - [ -0.0046675700000000, 0.0059917900000000, -0.0040716700000000 ] - [ -0.0048446100000000, 0.0063730000000000, -0.0036635900000000 ] - [ -0.0049021400000000, -0.0062972000000000, -0.0034829800000000 ] - [ -0.0046629900000000, -0.0062231400000000, -0.0038088900000000 ] - [ -0.0055198900000000, -0.0077331300000000, -0.0085763100000000 ] - [ -0.0048686800000000, -0.0062284900000000, -0.0033356100000000 ] - [ 0.0069866500000000, 0.0407948100000000, 0.0179365300000000 ] - [ 0.0048446300000000, -0.0138695300000000, 0.0041834200000000 ] - [ 0.0048889500000000, -0.0139433500000000, 0.0042253900000000 ] - [ 0.0048535600000000, -0.0140221200000000, 0.0041389800000000 ] - [ 0.0048483200000000, 0.0138777800000000, 0.0041388600000000 ] - [ 0.0052697800000000, 0.0143839700000000, 0.0043586900000000 ] - [ 0.0049131200000000, 0.0138775700000000, 0.0043362000000000 ] - [ 0.0046936600000000, 0.0143857500000000, 0.0043484700000000 ] - [ -0.0001542000000000, 0.0094425500000000, 0.0003461100000000 ] - [ -0.0002374600000000, 0.0091047700000000, 0.0005211400000000 ] - [ -0.0028492900000000, 0.0095603600000000, 0.0007053100000000 ] - [ -0.0000164500000000, 0.0080361100000000, 0.0004653000000000 ] - [ -0.0001654000000000, -0.0094143300000000, 0.0004148000000000 ] - [ -0.0002398600000000, -0.0090111100000000, 0.0004811500000000 ] - [ -0.0002591400000000, -0.0096857400000000, 0.0006256100000000 ] - [ -0.0000664200000000, -0.0076516200000000, 0.0010721300000000 ] - [ -0.0025376900000000, 0.0065137400000000, -0.0037458000000000 ] - [ -0.0049847500000000, 0.0050902200000000, -0.0034240100000000 ] - [ -0.0047892500000000, 0.0061950400000000, -0.0036441500000000 ] - [ -0.0047942200000000, 0.0061563900000000, -0.0035574500000000 ] - [ -0.0048754200000000, -0.0062498500000000, -0.0036678600000000 ] - [ -0.0048848800000000, -0.0057148900000000, -0.0037689900000000 ] - [ -0.0048651100000000, -0.0063117700000000, -0.0034789600000000 ] - [ -0.0047433200000000, -0.0061066100000000, -0.0036518900000000 ] - [ 0.0047335100000000, -0.0141702800000000, 0.0041086700000000 ] - [ 0.0047471600000000, -0.0141696800000000, 0.0042359300000000 ] - [ 0.0045880300000000, -0.0139297800000000, 0.0036387800000000 ] - [ 0.0048164700000000, -0.0139299400000000, 0.0041143400000000 ] - [ 0.0047441900000000, 0.0138744600000000, 0.0041271200000000 ] - [ 0.0046098900000000, 0.0140551000000000, 0.0038229300000000 ] - [ 0.0046542400000000, 0.0138747700000000, 0.0042302300000000 ] - [ 0.0048207800000000, 0.0140555500000000, 0.0044266800000000 ]- atom: 49 displacement: [ -0.0051328375665862, 0.0000000000000000, 0.0085821896107603 ] forces: - [ 0.0029539000000000, -0.0020757000000000, 0.0019609800000000 ] - [ 0.0040990800000000, -0.0036260800000000, 0.0016386400000000 ] - [ 0.0029389100000000, -0.0031245800000000, 0.0008931900000000 ] - [ 0.0025421500000000, -0.0034943300000000, 0.0022283600000000 ] - [ 0.0032222700000000, 0.0035166200000000, 0.0017857600000000 ] - [ 0.0030757500000000, 0.0031087400000000, 0.0015650300000000 ] - [ 0.0019748200000000, 0.0031729800000000, 0.0030713900000000 ] - [ 0.0026393100000000, 0.0048805200000000, 0.0038538100000000 ] - [ -0.0030005100000000, -0.0060320700000000, -0.0033757600000000 ] - [ -0.0293494600000000, 0.0118237400000000, 0.0097717300000000 ] - [ -0.0026142100000000, -0.0060748200000000, -0.0035545800000000 ] - [ -0.0033417100000000, -0.0067922900000000, -0.0063840500000000 ] - [ -0.0003441900000000, 0.0077766700000000, -0.0042699600000000 ] - [ -0.0026776900000000, 0.0057801000000000, -0.0036289100000000 ] - [ -0.0048441100000000, -0.0014450100000000, 0.0367360100000000 ] - [ -0.0026519400000000, 0.0058709700000000, -0.0031506700000000 ] - [ 0.0026042700000000, -0.0038172000000000, 0.0026270400000000 ] - [ -0.0067676500000000, -0.0073066100000000, 0.0068982800000000 ] - [ 0.0029652800000000, -0.0035071300000000, 0.0020788800000000 ] - [ 0.0030530000000000, -0.0033342600000000, 0.0014550800000000 ] - [ 0.0020992000000000, 0.0052160200000000, 0.0008957600000000 ] - [ 0.0028333100000000, 0.0032823700000000, 0.0020728500000000 ] - [ 0.0045245600000000, 0.0025745000000000, 0.0022178000000000 ] - [ 0.0029656400000000, 0.0034883600000000, 0.0022171700000000 ] - [ -0.0024852500000000, -0.0069083100000000, -0.0029429800000000 ] - [ -0.0018325500000000, -0.0063618000000000, -0.0031316100000000 ] - [ -0.0028097400000000, -0.0056920300000000, -0.0036175000000000 ] - [ -0.0029746500000000, -0.0060562900000000, -0.0034693000000000 ] - [ -0.0035202100000000, 0.0060973400000000, -0.0035981300000000 ] - [ -0.0026741800000000, 0.0042149600000000, -0.0036680000000000 ] - [ -0.0024200900000000, 0.0057940300000000, -0.0031190400000000 ] - [ -0.0025064200000000, 0.0061790600000000, -0.0032201700000000 ] - [ -0.0002594100000000, 0.0091779800000000, 0.0006095000000000 ] - [ 0.0001036800000000, 0.0094721000000000, 0.0009223700000000 ] - [ -0.0003180900000000, 0.0104579600000000, 0.0000842100000000 ] - [ -0.0015235700000000, 0.0080977800000000, -0.0005648400000000 ] - [ 0.0007541800000000, -0.0116357900000000, 0.0028544900000000 ] - [ -0.0002003700000000, -0.0089299100000000, 0.0006084500000000 ] - [ -0.0005361900000000, -0.0088662000000000, 0.0005144700000000 ] - [ -0.0002019000000000, -0.0091969200000000, 0.0004023300000000 ] - [ -0.0047506500000000, 0.0053677200000000, -0.0038354100000000 ] - [ -0.0066478100000000, 0.0078962900000000, -0.0041807600000000 ] - [ -0.0049804000000000, 0.0063120600000000, -0.0031012700000000 ] - [ -0.0047028100000000, 0.0060194600000000, -0.0027042400000000 ] - [ -0.0051831900000000, -0.0066198900000000, -0.0032431600000000 ] - [ -0.0048936600000000, -0.0061824500000000, -0.0032960800000000 ] - [ -0.0037058400000000, -0.0045907900000000, 0.0002491900000000 ] - [ -0.0048149200000000, -0.0062944700000000, -0.0037096500000000 ] - [ 0.0530394700000000, -0.0240505000000000, -0.0707802800000000 ] - [ 0.0051845800000000, -0.0139319300000000, 0.0041264000000000 ] - [ 0.0040190000000000, -0.0139460100000000, 0.0056217600000000 ] - [ 0.0047571600000000, -0.0138899500000000, 0.0043055700000000 ] - [ 0.0048276000000000, 0.0140296800000000, 0.0042240000000000 ] - [ 0.0003042300000000, 0.0141421100000000, 0.0093264700000000 ] - [ 0.0047670300000000, 0.0138921700000000, 0.0041873500000000 ] - [ 0.0029316800000000, 0.0138586700000000, 0.0110078700000000 ] - [ -0.0000017000000000, 0.0092394100000000, 0.0009502900000000 ] - [ -0.0001427300000000, 0.0091974800000000, 0.0005469500000000 ] - [ -0.0027945400000000, 0.0082550400000000, -0.0000299500000000 ] - [ -0.0007221100000000, 0.0096496400000000, 0.0005404200000000 ] - [ -0.0003040300000000, -0.0091675500000000, 0.0006265800000000 ] - [ -0.0005911000000000, -0.0091450400000000, 0.0006820500000000 ] - [ -0.0000092400000000, -0.0088952800000000, 0.0003385800000000 ] - [ 0.0014185200000000, -0.0100871800000000, 0.0013665900000000 ] - [ -0.0088921200000000, 0.0068737000000000, -0.0041436000000000 ] - [ -0.0052713500000000, 0.0063187300000000, -0.0035937500000000 ] - [ -0.0048318200000000, 0.0058957700000000, -0.0030593500000000 ] - [ -0.0048636100000000, 0.0063225300000000, -0.0034835600000000 ] - [ -0.0046622600000000, -0.0061926100000000, -0.0036790200000000 ] - [ -0.0025609800000000, -0.0039282300000000, -0.0007779500000000 ] - [ -0.0049146000000000, -0.0061841400000000, -0.0034661400000000 ] - [ -0.0052998800000000, -0.0063381000000000, -0.0033754500000000 ] - [ 0.0045476100000000, -0.0140282900000000, 0.0040924000000000 ] - [ 0.0045778600000000, -0.0139246800000000, 0.0041107900000000 ] - [ 0.0052776800000000, -0.0138889100000000, 0.0047854100000000 ] - [ 0.0049238100000000, -0.0135945700000000, 0.0045729500000000 ] - [ 0.0047996300000000, 0.0140707700000000, 0.0041033000000000 ] - [ 0.0048322900000000, 0.0141536400000000, 0.0041008600000000 ] - [ 0.0049314000000000, 0.0139357300000000, 0.0041815500000000 ] - [ 0.0049066200000000, 0.0137445000000000, 0.0041442200000000 ]- atom: 49 displacement: [ 0.0051328375665862, 0.0000000000000000, -0.0085821896107603 ] forces: - [ 0.0028749700000000, -0.0049117500000000, 0.0025241200000000 ] - [ 0.0017408800000000, -0.0033694300000000, 0.0028427600000000 ] - [ 0.0028958100000000, -0.0038648700000000, 0.0035916000000000 ] - [ 0.0032855200000000, -0.0034976900000000, 0.0022605600000000 ] - [ 0.0026077300000000, 0.0034756700000000, 0.0027000600000000 ] - [ 0.0027547100000000, 0.0038865800000000, 0.0029187700000000 ] - [ 0.0038521700000000, 0.0038156000000000, 0.0014150200000000 ] - [ 0.0031927000000000, 0.0021089800000000, 0.0006371100000000 ] - [ -0.0024202500000000, -0.0058589200000000, -0.0034076800000000 ] - [ 0.0248956600000000, -0.0243076200000000, -0.0166722500000000 ] - [ -0.0028070600000000, -0.0058113400000000, -0.0032289800000000 ] - [ -0.0020927300000000, -0.0050966900000000, -0.0004127900000000 ] - [ -0.0050889300000000, 0.0040983800000000, -0.0025209800000000 ] - [ -0.0027437800000000, 0.0061042100000000, -0.0031556400000000 ] - [ -0.0002965700000000, 0.0131478800000000, -0.0419811300000000 ] - [ -0.0027679000000000, 0.0060128000000000, -0.0036324200000000 ] - [ 0.0032265500000000, -0.0031770900000000, 0.0018577000000000 ] - [ 0.0127240600000000, 0.0003813200000000, -0.0024151700000000 ] - [ 0.0028667000000000, -0.0034858800000000, 0.0024089400000000 ] - [ 0.0027849600000000, -0.0036563900000000, 0.0030359900000000 ] - [ 0.0037420100000000, 0.0017703400000000, 0.0035857000000000 ] - [ 0.0029978200000000, 0.0037079800000000, 0.0024137600000000 ] - [ 0.0013159600000000, 0.0044139500000000, 0.0022868100000000 ] - [ 0.0028660000000000, 0.0035028900000000, 0.0022727800000000 ] - [ -0.0029375900000000, -0.0049680800000000, -0.0038428900000000 ] - [ -0.0036040800000000, -0.0055276400000000, -0.0036635100000000 ] - [ -0.0026137200000000, -0.0061912900000000, -0.0031660100000000 ] - [ -0.0024446500000000, -0.0058291700000000, -0.0033143900000000 ] - [ -0.0018991400000000, 0.0057923000000000, -0.0031933400000000 ] - [ -0.0027475600000000, 0.0076644200000000, -0.0031182500000000 ] - [ -0.0030013300000000, 0.0060899400000000, -0.0036640400000000 ] - [ -0.0029154000000000, 0.0057074600000000, -0.0035618500000000 ] - [ -0.0001450100000000, 0.0092698500000000, 0.0004054100000000 ] - [ -0.0005103000000000, 0.0089745000000000, 0.0000924200000000 ] - [ -0.0000823600000000, 0.0079888600000000, 0.0009251600000000 ] - [ 0.0011476800000000, 0.0103653500000000, 0.0015874700000000 ] - [ -0.0011725200000000, -0.0067781200000000, -0.0018722900000000 ] - [ -0.0002055600000000, -0.0095155600000000, 0.0004068100000000 ] - [ 0.0001298500000000, -0.0095814400000000, 0.0004981800000000 ] - [ -0.0002019600000000, -0.0092500800000000, 0.0006108500000000 ] - [ -0.0049111500000000, 0.0070523700000000, -0.0032475800000000 ] - [ -0.0030292100000000, 0.0045236700000000, -0.0028940300000000 ] - [ -0.0046814900000000, 0.0061054000000000, -0.0039824500000000 ] - [ -0.0049553000000000, 0.0063926300000000, -0.0043763500000000 ] - [ -0.0044760800000000, -0.0057957800000000, -0.0038406900000000 ] - [ -0.0047682800000000, -0.0062334700000000, -0.0037870400000000 ] - [ -0.0059424900000000, -0.0078005300000000, -0.0073050200000000 ] - [ -0.0048455300000000, -0.0061211500000000, -0.0033765100000000 ] - [ -0.0447512500000000, -0.0031340700000000, 0.0777683300000000 ] - [ 0.0044696600000000, -0.0139520600000000, 0.0042407200000000 ] - [ 0.0056368700000000, -0.0139376200000000, 0.0027458200000000 ] - [ 0.0048976500000000, -0.0139953000000000, 0.0040613700000000 ] - [ 0.0048269500000000, 0.0138566000000000, 0.0041421100000000 ] - [ 0.0094051400000000, 0.0137152800000000, -0.0010405000000000 ] - [ 0.0048877100000000, 0.0139927300000000, 0.0041779900000000 ] - [ 0.0066857500000000, 0.0140050300000000, -0.0025568400000000 ] - [ -0.0004018600000000, 0.0092086700000000, 0.0000673900000000 ] - [ -0.0002615900000000, 0.0092508700000000, 0.0004676800000000 ] - [ 0.0024014000000000, 0.0101848300000000, 0.0010481200000000 ] - [ 0.0003153700000000, 0.0088030400000000, 0.0004750100000000 ] - [ -0.0001008600000000, -0.0092797900000000, 0.0003888000000000 ] - [ 0.0001883900000000, -0.0093042900000000, 0.0003343200000000 ] - [ -0.0003962400000000, -0.0095500400000000, 0.0006759400000000 ] - [ -0.0018190300000000, -0.0083610300000000, -0.0003505700000000 ] - [ -0.0007860500000000, 0.0055389400000000, -0.0029661400000000 ] - [ -0.0043863100000000, 0.0061040600000000, -0.0034917000000000 ] - [ -0.0048308000000000, 0.0065209900000000, -0.0040248800000000 ] - [ -0.0047972700000000, 0.0060943400000000, -0.0036015000000000 ] - [ -0.0049984000000000, -0.0062215800000000, -0.0034050400000000 ] - [ -0.0071200500000000, -0.0084866600000000, -0.0063134700000000 ] - [ -0.0047461300000000, -0.0062314700000000, -0.0036198700000000 ] - [ -0.0043628900000000, -0.0060783100000000, -0.0037136400000000 ] - [ 0.0051085600000000, -0.0138583300000000, 0.0042741400000000 ] - [ 0.0050784500000000, -0.0139584500000000, 0.0042564300000000 ] - [ 0.0043768200000000, -0.0139967400000000, 0.0035826700000000 ] - [ 0.0047318700000000, -0.0142888700000000, 0.0037941800000000 ] - [ 0.0048566600000000, 0.0138133900000000, 0.0042643200000000 ] - [ 0.0048255300000000, 0.0137318400000000, 0.0042684600000000 ] - [ 0.0047241700000000, 0.0139497900000000, 0.0041846200000000 ] - [ 0.0047479500000000, 0.0141408600000000, 0.0042210100000000 ]