# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8bb00a02-5f15-4953-8396-30615302ba04/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 Pr3SiCuSe7 / P6_3 (173) / materials id 568801](https://mdr.nims.go.jp/datasets/33a0046d-a532-4af1-925d-818040c0d3d7) ## 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: "P6_3" number: 173 Hall_symbol: "P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.537091320000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.268545670000000, 9.125388760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.998247450000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.872120760000000, 0.228064790000000, 0.746284690000000 ] mass: 140.907650 - symbol: Pr # 2 coordinates: [ 0.228064790000000, 0.355944030000000, 0.246284690000000 ] mass: 140.907650 - symbol: Pr # 3 coordinates: [ 0.771935210000000, 0.644055970000000, 0.746284690000000 ] mass: 140.907650 - symbol: Pr # 4 coordinates: [ 0.644055970000000, 0.872120760000000, 0.246284690000000 ] mass: 140.907650 - symbol: Pr # 5 coordinates: [ 0.127879240000000, 0.771935210000000, 0.246284690000000 ] mass: 140.907650 - symbol: Pr # 6 coordinates: [ 0.355944030000000, 0.127879240000000, 0.746284690000000 ] mass: 140.907650 - symbol: Cu # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.769424340000000 ] mass: 63.546000 - symbol: Cu # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.269424340000000 ] mass: 63.546000 - symbol: Si # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.161103640000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.661103640000000 ] mass: 28.085500 - symbol: Se # 11 coordinates: [ 0.255389240000000, 0.091372460000000, 0.259122600000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.417153920000000, 0.895703440000000, 0.513050260000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.835983210000000, 0.744610760000000, 0.259122600000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.478549510000000, 0.582846080000000, 0.513050260000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.164016790000000, 0.255389240000000, 0.759122600000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.104296560000000, 0.521450490000000, 0.513050260000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.744610760000000, 0.908627540000000, 0.759122600000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.582846080000000, 0.104296560000000, 0.013050260000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.036854250000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.908627540000000, 0.164016790000000, 0.259122600000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.536854250000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.091372460000000, 0.835983210000000, 0.759122600000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.521450490000000, 0.417153920000000, 0.013050260000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.895703440000000, 0.478549510000000, 0.013050260000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.094902850234772, 0.054792186264629, 0.000000000000000 ] # a* - [ -0.000000000103999, 0.109584372321260, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.166715362834856 ] # c*unit_cell: lattice: - [ 10.537091320000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.268545670000000, 9.125388760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.998247450000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.872120760000000, 0.228064790000000, 0.746284690000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.228064790000000, 0.355944030000000, 0.246284690000000 ] mass: 140.907650 reduced_to: 2 - symbol: Pr # 3 coordinates: [ 0.771935210000000, 0.644055970000000, 0.746284690000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 4 coordinates: [ 0.644055970000000, 0.872120760000000, 0.246284690000000 ] mass: 140.907650 reduced_to: 4 - symbol: Pr # 5 coordinates: [ 0.127879240000000, 0.771935210000000, 0.246284690000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.355944030000000, 0.127879240000000, 0.746284690000000 ] mass: 140.907650 reduced_to: 6 - symbol: Cu # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.769424340000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.269424340000000 ] mass: 63.546000 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.161103640000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.661103640000000 ] mass: 28.085500 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.255389240000000, 0.091372460000000, 0.259122600000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.417153920000000, 0.895703440000000, 0.513050260000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.835983210000000, 0.744610760000000, 0.259122600000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.478549510000000, 0.582846080000000, 0.513050260000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.164016790000000, 0.255389240000000, 0.759122600000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.104296560000000, 0.521450490000000, 0.513050260000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.744610760000000, 0.908627540000000, 0.759122600000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.582846080000000, 0.104296560000000, 0.013050260000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.036854250000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.908627540000000, 0.164016790000000, 0.259122600000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.536854250000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.091372460000000, 0.835983210000000, 0.759122600000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.521450490000000, 0.417153920000000, 0.013050260000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.895703440000000, 0.478549510000000, 0.013050260000000 ] mass: 78.960000 reduced_to: 24supercell: lattice: - [ 10.537091320000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.268545670000000, 9.125388760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.996494900000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.872120760000000, 0.228064790000000, 0.373142345000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.872120760000000, 0.228064790000000, 0.873142345000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 3 coordinates: [ 0.228064790000000, 0.355944030000000, 0.123142345000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 4 coordinates: [ 0.228064790000000, 0.355944030000000, 0.623142345000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 5 coordinates: [ 0.771935210000000, 0.644055970000000, 0.373142345000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.771935210000000, 0.644055970000000, 0.873142345000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 7 coordinates: [ 0.644055970000000, 0.872120760000000, 0.123142345000000 ] mass: 140.907650 reduced_to: 7 - symbol: Pr # 8 coordinates: [ 0.644055970000000, 0.872120760000000, 0.623142345000000 ] mass: 140.907650 reduced_to: 7 - symbol: Pr # 9 coordinates: [ 0.127879240000000, 0.771935210000000, 0.123142345000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 10 coordinates: [ 0.127879240000000, 0.771935210000000, 0.623142345000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 11 coordinates: [ 0.355944030000000, 0.127879240000000, 0.373142345000000 ] mass: 140.907650 reduced_to: 11 - symbol: Pr # 12 coordinates: [ 0.355944030000000, 0.127879240000000, 0.873142345000000 ] mass: 140.907650 reduced_to: 11 - symbol: Cu # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.384712170000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.884712170000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.134712170000000 ] mass: 63.546000 reduced_to: 15 - symbol: Cu # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.634712170000000 ] mass: 63.546000 reduced_to: 15 - symbol: Si # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.080551820000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.580551820000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.330551820000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.830551820000000 ] mass: 28.085500 reduced_to: 19 - symbol: Se # 21 coordinates: [ 0.255389240000000, 0.091372460000000, 0.129561300000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.255389240000000, 0.091372460000000, 0.629561300000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 23 coordinates: [ 0.417153920000000, 0.895703440000000, 0.256525130000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.417153920000000, 0.895703440000000, 0.756525130000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 25 coordinates: [ 0.835983210000000, 0.744610760000000, 0.129561300000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.835983210000000, 0.744610760000000, 0.629561300000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 27 coordinates: [ 0.478549510000000, 0.582846080000000, 0.256525130000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.478549510000000, 0.582846080000000, 0.756525130000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 29 coordinates: [ 0.164016790000000, 0.255389240000000, 0.379561300000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.164016790000000, 0.255389240000000, 0.879561300000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 31 coordinates: [ 0.104296560000000, 0.521450490000000, 0.256525130000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.104296560000000, 0.521450490000000, 0.756525130000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 33 coordinates: [ 0.744610760000000, 0.908627540000000, 0.379561300000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.744610760000000, 0.908627540000000, 0.879561300000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.582846080000000, 0.104296560000000, 0.006525130000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.582846080000000, 0.104296560000000, 0.506525130000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.018427125000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.518427125000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.908627540000000, 0.164016790000000, 0.129561300000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.908627540000000, 0.164016790000000, 0.629561300000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.268427125000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.768427125000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.091372460000000, 0.835983210000000, 0.379561300000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.091372460000000, 0.835983210000000, 0.879561300000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 45 coordinates: [ 0.521450490000000, 0.417153920000000, 0.006525130000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.521450490000000, 0.417153920000000, 0.506525130000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 47 coordinates: [ 0.895703440000000, 0.478549510000000, 0.006525130000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.895703440000000, 0.478549510000000, 0.506525130000000 ] mass: 78.960000 reduced_to: 47born_effective_charge:- # 1 (Pr) - [ 4.541742430000000, -0.713224260000000, -0.677605070000000 ] - [ -0.845140000000000, 3.982646560000000, -0.034379940000000 ] - [ -0.177890580000000, -0.122377010000000, 3.733005450000000 ]- # 2 (Pr) - [ 3.447629008731335, 0.213453321853671, -0.368576436334050 ] - [ 0.081537581556068, 5.076759981268666, 0.569633234356254 ] - [ -0.194926889523153, 0.092869256387541, 3.733005450000001 ]- # 3 (Pr) - [ 3.447629008731335, 0.213453321853671, 0.368576436334050 ] - [ 0.081537581556068, 5.076759981268666, -0.569633234356254 ] - [ 0.194926889523153, -0.092869256387541, 3.733005450000001 ]- # 4 (Pr) - [ 4.797212046239614, 0.697644548237085, -0.309028633665950 ] - [ 0.565728808348123, 3.727176943760386, -0.604013174356254 ] - [ 0.017036309523153, -0.215246266387541, 3.733005450000001 ]- # 5 (Pr) - [ 4.541742430000000, -0.713224260000000, 0.677605070000000 ] - [ -0.845140000000000, 3.982646560000000, 0.034379940000000 ] - [ 0.177890580000000, 0.122377010000000, 3.733005450000001 ]- # 6 (Pr) - [ 4.797212046239614, 0.697644548237085, 0.309028633665950 ] - [ 0.565728808348123, 3.727176943760386, 0.604013174356254 ] - [ -0.017036309523153, 0.215246266387541, 3.733005450000001 ]- # 7 (Cu) - [ 0.230534190000000, 0.025836550000000, 0.000000000000000 ] - [ -0.025836550000000, 0.230534190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.267150490000000 ]- # 8 (Cu) - [ 0.230534189994596, 0.025836549996220, 0.000000000000000 ] - [ -0.025836550003780, 0.230534190005404, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.267150490000000 ]- # 9 (Si) - [ 2.477738140000000, -0.259000700000000, 0.000000000000000 ] - [ 0.259000700000000, 2.477738140000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.134336510000000 ]- # 10 (Si) - [ 2.477738140054174, -0.259000699962109, 0.000000000000000 ] - [ 0.259000700037891, 2.477738139945826, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.134336510000001 ]- # 11 (Se) - [ -1.669642400000000, 0.398597810000000, -0.083088780000000 ] - [ 0.541307290000000, -2.764762950000000, -0.005769280000000 ] - [ -0.086032030000000, -0.149003920000000, -2.572085160000000 ]- # 12 (Se) - [ -2.395653250000000, 0.350102240000000, 0.253588310000000 ] - [ 0.242374820000000, -2.283710790000000, -0.025291910000000 ] - [ 0.219359320000000, -0.127458820000000, -1.518452600000000 ]- # 13 (Se) - [ -2.897973659356774, 0.167870093428771, 0.036548046969083 ] - [ 0.310579573062204, -1.536431690643226, 0.074841634249642 ] - [ -0.086025164996050, 0.149007883537139, -2.572085160000000 ]- # 14 (Se) - [ -2.568246497572216, -0.142728062023613, -0.148697591602193 ] - [ -0.250455482086876, -2.111117542427784, -0.206967963568783 ] - [ -0.220062236029907, -0.126241333658249, -1.518452600000000 ]- # 15 (Se) - [ -2.897973659356774, 0.167870093428771, -0.036548046969083 ] - [ 0.310579573062204, -1.536431690643226, -0.074841634249642 ] - [ 0.086025164996050, -0.149007883537139, -2.572085160000000 ]- # 16 (Se) - [ -2.055146312451508, -0.045783047991756, -0.104890718397807 ] - [ -0.153510467901881, -2.624217727548492, 0.232259873568783 ] - [ 0.000702916029907, 0.253700153658249, -1.518452600000000 ]- # 17 (Se) - [ -1.669642400000000, 0.398597810000000, 0.083088780000000 ] - [ 0.541307290000000, -2.764762950000000, 0.005769280000000 ] - [ 0.086032030000000, 0.149003920000000, -2.572085160000000 ]- # 18 (Se) - [ -2.395653250000000, 0.350102240000000, -0.253588310000000 ] - [ 0.242374820000000, -2.283710790000000, 0.025291910000000 ] - [ -0.219359320000000, 0.127458820000000, -1.518452600000000 ]- # 19 (Se) - [ -1.824201720000000, 0.087763640000000, 0.000000000000000 ] - [ -0.087763640000000, -1.824201720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.328890050000000 ]- # 20 (Se) - [ -2.083991965611799, -0.780532123166867, 0.046540733030917 ] - [ -0.637822643318641, -2.350413384388201, -0.069072354249642 ] - [ 0.172057194996050, -0.000003963537139, -2.572085160000000 ]- # 21 (Se) - [ -1.824201720018357, 0.087763639987161, 0.000000000000000 ] - [ -0.087763640012839, -1.824201719981643, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.328890050000000 ]- # 22 (Se) - [ -2.083991965611799, -0.780532123166867, -0.046540733030917 ] - [ -0.637822643318641, -2.350413384388201, 0.069072354249642 ] - [ -0.172057194996050, 0.000003963537139, -2.572085160000000 ]- # 23 (Se) - [ -2.568246497572216, -0.142728062023613, 0.148697591602193 ] - [ -0.250455482086876, -2.111117542427784, 0.206967963568783 ] - [ 0.220062236029907, 0.126241333658249, -1.518452600000000 ]- # 24 (Se) - [ -2.055146312451508, -0.045783047991756, 0.104890718397807 ] - [ -0.153510467901881, -2.624217727548492, -0.232259873568783 ] - [ -0.000702916029907, -0.253700153658249, -1.518452600000000 ]dielectric_constant: - [ 9.679052260000001, -0.000015910000000, 0.000000000000000 ] - [ 0.000015910000000, 9.679052260000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 9.126303660000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ -0.0678352700000000, 0.0066928100000000, 0.0113118700000000 ] - [ 0.0020047200000000, -0.0006187300000000, 0.0011491000000000 ] - [ 0.0013973800000000, -0.0019511200000000, -0.0032050400000000 ] - [ 0.0021633600000000, -0.0016576600000000, 0.0073012800000000 ] - [ 0.0015456600000000, -0.0023360500000000, 0.0009162600000000 ] - [ 0.0001142800000000, 0.0018381600000000, 0.0017143500000000 ] - [ 0.0017655600000000, 0.0018901200000000, 0.0019716500000000 ] - [ 0.0004482300000000, 0.0025181600000000, 0.0018020500000000 ] - [ -0.0029304900000000, 0.0015974800000000, 0.0008092800000000 ] - [ -0.0029382800000000, -0.0004107800000000, 0.0014915700000000 ] - [ 0.0078551600000000, -0.0012878100000000, 0.0019011400000000 ] - [ -0.0019226100000000, -0.0006560500000000, 0.0014650900000000 ] - [ 0.0024127200000000, -0.0045495800000000, -0.0000758300000000 ] - [ 0.0000263000000000, -0.0000104800000000, -0.0008742600000000 ] - [ 0.0001704300000000, -0.0002078400000000, -0.0015246100000000 ] - [ 0.0001957000000000, -0.0000268200000000, 0.0000194300000000 ] - [ -0.0019376800000000, 0.0009296600000000, 0.0062757900000000 ] - [ 0.0043494900000000, -0.0054586200000000, -0.0062850100000000 ] - [ 0.0009301500000000, 0.0022154600000000, -0.0029989600000000 ] - [ -0.0003122800000000, 0.0001776700000000, -0.0024536900000000 ] - [ -0.0024522700000000, 0.0016008500000000, -0.0007880900000000 ] - [ -0.0031036600000000, 0.0020003500000000, -0.0027719100000000 ] - [ -0.0025976700000000, 0.0008962100000000, 0.0002165200000000 ] - [ -0.0019820400000000, 0.0012232200000000, -0.0006285400000000 ] - [ 0.0016987100000000, 0.0014246700000000, -0.0019725700000000 ] - [ 0.0016460900000000, 0.0012041200000000, -0.0019993900000000 ] - [ 0.0025441300000000, 0.0001618000000000, 0.0002395700000000 ] - [ 0.0023954800000000, 0.0009675400000000, -0.0007889700000000 ] - [ 0.0247808400000000, 0.0007891400000000, -0.0013706800000000 ] - [ -0.0020247200000000, -0.0005777600000000, -0.0016617200000000 ] - [ 0.0004230400000000, -0.0014105100000000, -0.0006769400000000 ] - [ -0.0001626200000000, -0.0030177000000000, -0.0005755100000000 ] - [ 0.0036218200000000, -0.0028605600000000, -0.0034722100000000 ] - [ 0.0015418800000000, -0.0007002500000000, -0.0019336500000000 ] - [ 0.0029980600000000, -0.0026048600000000, -0.0010479500000000 ] - [ 0.0112920500000000, 0.0038853600000000, -0.0060997900000000 ] - [ 0.0001867500000000, -0.0001939300000000, 0.0056885800000000 ] - [ -0.0000117300000000, -0.0010866200000000, 0.0046218800000000 ] - [ 0.0030271500000000, -0.0027138900000000, -0.0045378300000000 ] - [ 0.0028253200000000, -0.0016182700000000, -0.0011284700000000 ] - [ 0.0104544600000000, -0.0030878100000000, 0.0062805200000000 ] - [ -0.0005263300000000, 0.0008428400000000, 0.0063335000000000 ] - [ -0.0001541800000000, 0.0035664200000000, -0.0023442300000000 ] - [ 0.0002445500000000, 0.0021796600000000, -0.0015845900000000 ] - [ -0.0040166900000000, -0.0007895500000000, -0.0023236200000000 ] - [ -0.0051123900000000, 0.0000402800000000, 0.0000289500000000 ] - [ 0.0014140500000000, 0.0031551000000000, -0.0012372000000000 ] - [ 0.0035473900000000, -0.0019638600000000, -0.0051771400000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0729040900000000, -0.0102853200000000, -0.0083512800000000 ] - [ 0.0037119300000000, -0.0028403700000000, 0.0020251500000000 ] - [ -0.0015350400000000, -0.0046930200000000, 0.0063309900000000 ] - [ -0.0022856300000000, -0.0050013200000000, -0.0040484800000000 ] - [ -0.0014259200000000, 0.0089920400000000, 0.0022742600000000 ] - [ 0.0000155200000000, 0.0048287300000000, 0.0014625400000000 ] - [ 0.0040719300000000, 0.0013325500000000, 0.0012177400000000 ] - [ 0.0054108700000000, 0.0007023200000000, 0.0013648900000000 ] - [ -0.0027589500000000, 0.0018375600000000, 0.0023688400000000 ] - [ -0.0027674400000000, 0.0038511000000000, 0.0016891800000000 ] - [ -0.0136397000000000, -0.0019217400000000, 0.0013038600000000 ] - [ -0.0039147000000000, -0.0025534000000000, 0.0017116100000000 ] - [ -0.0023429200000000, 0.0044202900000000, -0.0015142200000000 ] - [ -0.0000518700000000, 0.0000178300000000, -0.0007419100000000 ] - [ -0.0001512400000000, 0.0002021800000000, -0.0000972200000000 ] - [ -0.0001799800000000, 0.0000236700000000, -0.0016229300000000 ] - [ 0.0019288200000000, -0.0009317100000000, -0.0107389200000000 ] - [ -0.0043720700000000, 0.0054867700000000, 0.0018860700000000 ] - [ -0.0009415500000000, -0.0022168800000000, -0.0014512100000000 ] - [ 0.0003141800000000, -0.0001766500000000, -0.0019672200000000 ] - [ -0.0008658500000000, 0.0006114600000000, -0.0029284700000000 ] - [ -0.0002346000000000, 0.0002142200000000, -0.0009719500000000 ] - [ -0.0019965200000000, 0.0029197700000000, -0.0010691900000000 ] - [ -0.0026262900000000, 0.0025700000000000, -0.0002267200000000 ] - [ 0.0018684600000000, 0.0003317300000000, -0.0017552200000000 ] - [ 0.0019183500000000, 0.0005657100000000, -0.0017230700000000 ] - [ 0.0030335800000000, 0.0019155200000000, -0.0010835900000000 ] - [ 0.0031868400000000, 0.0011257800000000, -0.0000657700000000 ] - [ -0.0269916500000000, -0.0024647300000000, -0.0023394100000000 ] - [ -0.0015306400000000, -0.0011842600000000, -0.0020650300000000 ] - [ -0.0013740200000000, -0.0044495600000000, -0.0001791800000000 ] - [ -0.0008111800000000, -0.0028672600000000, -0.0002788300000000 ] - [ -0.0002895800000000, 0.0007246500000000, -0.0002633500000000 ] - [ 0.0017750800000000, -0.0015127000000000, -0.0017932400000000 ] - [ 0.0016076800000000, -0.0011773200000000, 0.0002048600000000 ] - [ -0.0071456700000000, -0.0078844500000000, 0.0055365700000000 ] - [ -0.0001872600000000, 0.0001915500000000, 0.0045514600000000 ] - [ 0.0000114600000000, 0.0010814700000000, 0.0056189300000000 ] - [ -0.0032911100000000, -0.0012427200000000, 0.0008063100000000 ] - [ -0.0030693700000000, -0.0023511600000000, -0.0025485700000000 ] - [ -0.0109417500000000, 0.0032734700000000, 0.0037483200000000 ] - [ 0.0005288200000000, -0.0008531700000000, 0.0039070800000000 ] - [ 0.0004225400000000, 0.0004100600000000, -0.0013831500000000 ] - [ 0.0000120900000000, 0.0017941700000000, -0.0021401800000000 ] - [ -0.0015648400000000, -0.0013072200000000, 0.0014661600000000 ] - [ -0.0004681400000000, -0.0021434700000000, -0.0008879000000000 ] - [ -0.0004426700000000, 0.0027273200000000, 0.0003963900000000 ] - [ -0.0025241000000000, 0.0079065200000000, 0.0043649900000000 ]- atom: 1 displacement: [ -0.0050000000092203, 0.0086602540325210, 0.0000000000000000 ] forces: - [ 0.0453887600000000, -0.0704182800000000, -0.0048698700000000 ] - [ 0.0042460900000000, -0.0023620900000000, 0.0022605800000000 ] - [ -0.0003935500000000, -0.0063845600000000, 0.0028960300000000 ] - [ -0.0007247800000000, -0.0050445500000000, 0.0002883300000000 ] - [ -0.0045265200000000, 0.0130660300000000, 0.0011563200000000 ] - [ 0.0001763800000000, 0.0045437400000000, 0.0016548500000000 ] - [ 0.0047156600000000, 0.0035225800000000, 0.0059157200000000 ] - [ 0.0057079500000000, 0.0022098900000000, -0.0029823500000000 ] - [ -0.0046387100000000, 0.0039261300000000, 0.0011436600000000 ] - [ -0.0029141400000000, 0.0049379400000000, 0.0018342800000000 ] - [ -0.0090556700000000, -0.0028531400000000, 0.0024803100000000 ] - [ -0.0040273000000000, -0.0024327100000000, 0.0015044300000000 ] - [ -0.0052688700000000, 0.0028683900000000, -0.0008320200000000 ] - [ -0.0000893900000000, 0.0000724100000000, -0.0007082600000000 ] - [ -0.0002589700000000, 0.0001165000000000, 0.0001185700000000 ] - [ -0.0000021500000000, 0.0001550500000000, -0.0016614800000000 ] - [ 0.0015700200000000, -0.0001673800000000, -0.0086134800000000 ] - [ -0.0067582800000000, -0.0046680900000000, 0.0014299800000000 ] - [ 0.0044289300000000, 0.0029972800000000, 0.0008183200000000 ] - [ -0.0000096900000000, -0.0000044100000000, -0.0026810300000000 ] - [ -0.0011307000000000, 0.0009096800000000, -0.0023796200000000 ] - [ -0.0010769700000000, 0.0003715100000000, -0.0015231700000000 ] - [ -0.0032917100000000, -0.0000081600000000, -0.0009535800000000 ] - [ -0.0027539300000000, 0.0021736700000000, -0.0002095900000000 ] - [ 0.0025583700000000, 0.0001374700000000, -0.0027118900000000 ] - [ 0.0030304500000000, -0.0000996800000000, -0.0009239600000000 ] - [ 0.0008572500000000, 0.0005268800000000, -0.0014176700000000 ] - [ 0.0027129600000000, 0.0010302600000000, 0.0000216900000000 ] - [ -0.0118236800000000, 0.0004063600000000, -0.0025738400000000 ] - [ -0.0011557400000000, -0.0009157200000000, -0.0021515200000000 ] - [ -0.0011467900000000, 0.0014458100000000, -0.0041220500000000 ] - [ -0.0008093700000000, -0.0030226600000000, -0.0002593600000000 ] - [ -0.0020214300000000, 0.0222184100000000, -0.0021090100000000 ] - [ 0.0019813300000000, -0.0012091300000000, -0.0019311800000000 ] - [ 0.0015059800000000, -0.0011406600000000, 0.0001489300000000 ] - [ 0.0025043300000000, 0.0014496400000000, -0.0013408700000000 ] - [ -0.0003314400000000, -0.0000075000000000, 0.0052745400000000 ] - [ -0.0012734200000000, -0.0004076700000000, 0.0050093700000000 ] - [ -0.0016490000000000, 0.0012701300000000, 0.0003086100000000 ] - [ -0.0016987500000000, 0.0003474400000000, -0.0030473500000000 ] - [ -0.0087820600000000, 0.0034530000000000, 0.0028979800000000 ] - [ 0.0010810800000000, 0.0010076800000000, 0.0038641700000000 ] - [ 0.0015846000000000, 0.0009600400000000, -0.0013834400000000 ] - [ 0.0002552800000000, 0.0019856400000000, -0.0016859700000000 ] - [ -0.0019471400000000, -0.0014413300000000, 0.0009378500000000 ] - [ -0.0001505500000000, -0.0006787200000000, -0.0010250000000000 ] - [ 0.0000116400000000, 0.0029598000000000, 0.0002053700000000 ] - [ -0.0046063500000000, 0.0221970800000000, 0.0119276500000000 ]- atom: 1 displacement: [ 0.0050000000092203, -0.0086602540325210, 0.0000000000000000 ] forces: - [ -0.0396782000000000, 0.0672327800000000, 0.0077733700000000 ] - [ 0.0014693900000000, -0.0011010800000000, 0.0009229400000000 ] - [ 0.0002412100000000, -0.0002896300000000, 0.0002838200000000 ] - [ 0.0005785600000000, -0.0016295800000000, 0.0028975300000000 ] - [ 0.0046559300000000, -0.0064518200000000, 0.0020254300000000 ] - [ -0.0000467400000000, 0.0021157700000000, 0.0015226400000000 ] - [ 0.0011069900000000, -0.0003041100000000, -0.0027900200000000 ] - [ 0.0001118700000000, 0.0010068900000000, 0.0062097600000000 ] - [ -0.0010353100000000, -0.0004843400000000, 0.0020403300000000 ] - [ -0.0027928800000000, -0.0014835300000000, 0.0013462900000000 ] - [ 0.0032560300000000, -0.0003495800000000, 0.0007111800000000 ] - [ -0.0018130000000000, -0.0007786000000000, 0.0016740000000000 ] - [ 0.0054476400000000, -0.0029934800000000, -0.0007732100000000 ] - [ 0.0000650200000000, -0.0000642400000000, -0.0009077500000000 ] - [ 0.0002739500000000, -0.0001136300000000, -0.0017360300000000 ] - [ 0.0000214000000000, -0.0001575500000000, 0.0000431500000000 ] - [ -0.0015756700000000, 0.0001770300000000, 0.0041708900000000 ] - [ 0.0067103600000000, 0.0045842400000000, -0.0058418000000000 ] - [ -0.0044547900000000, -0.0029771900000000, -0.0052704500000000 ] - [ 0.0000148900000000, 0.0000111300000000, -0.0017422300000000 ] - [ -0.0021753600000000, 0.0012958100000000, -0.0013498600000000 ] - [ -0.0022475100000000, 0.0018340400000000, -0.0022040700000000 ] - [ -0.0012911500000000, 0.0038198800000000, 0.0001111200000000 ] - [ -0.0018499800000000, 0.0016084300000000, -0.0006457000000000 ] - [ 0.0009951800000000, 0.0016243600000000, -0.0009973100000000 ] - [ 0.0005165800000000, 0.0018861600000000, -0.0028077600000000 ] - [ 0.0047225900000000, 0.0015708500000000, 0.0005667700000000 ] - [ 0.0028676800000000, 0.0010663400000000, -0.0008761100000000 ] - [ 0.0084033200000000, -0.0021447500000000, -0.0011518000000000 ] - [ -0.0023962300000000, -0.0008450500000000, -0.0015765300000000 ] - [ 0.0002725300000000, -0.0070837000000000, 0.0031740400000000 ] - [ -0.0001722100000000, -0.0028668800000000, -0.0005975900000000 ] - [ 0.0054646600000000, -0.0255583500000000, -0.0015619800000000 ] - [ 0.0013288900000000, -0.0010083600000000, -0.0017984200000000 ] - [ 0.0031005500000000, -0.0026383100000000, -0.0009940700000000 ] - [ 0.0020855300000000, -0.0052025100000000, 0.0004782800000000 ] - [ 0.0003295600000000, 0.0000036500000000, 0.0049690200000000 ] - [ 0.0012775300000000, 0.0004075800000000, 0.0052263000000000 ] - [ 0.0013908800000000, -0.0052308300000000, -0.0041202700000000 ] - [ 0.0014446300000000, -0.0043274800000000, -0.0006279700000000 ] - [ 0.0084791400000000, -0.0033856300000000, 0.0071991800000000 ] - [ -0.0010663500000000, -0.0009900800000000, 0.0063689700000000 ] - [ -0.0013198300000000, 0.0029818800000000, -0.0023432300000000 ] - [ 0.0000008900000000, 0.0019830900000000, -0.0020415400000000 ] - [ -0.0036352800000000, -0.0006573100000000, -0.0017987500000000 ] - [ -0.0054102600000000, -0.0014143000000000, 0.0001641000000000 ] - [ 0.0009604400000000, 0.0029257400000000, -0.0010490000000000 ] - [ 0.0053669400000000, -0.0156037800000000, -0.0122756900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0127775000000000, -0.0034119300000000, -0.0588410300000000 ] - [ 0.0024146400000000, -0.0012088500000000, 0.0080353300000000 ] - [ -0.0044252300000000, -0.0060903400000000, 0.0026809400000000 ] - [ 0.0046907400000000, -0.0010218400000000, 0.0027966800000000 ] - [ -0.0011219400000000, 0.0029955000000000, -0.0009488300000000 ] - [ 0.0002743600000000, 0.0033038500000000, 0.0029813900000000 ] - [ 0.0042102000000000, 0.0073745000000000, 0.0027914000000000 ] - [ 0.0016005900000000, -0.0031684800000000, 0.0026857300000000 ] - [ -0.0027418600000000, 0.0014952800000000, 0.0025964900000000 ] - [ -0.0020698900000000, 0.0026838400000000, 0.0025917800000000 ] - [ -0.0033549500000000, -0.0005647800000000, -0.0009472000000000 ] - [ -0.0028484400000000, -0.0017858800000000, 0.0029820600000000 ] - [ -0.0002580600000000, -0.0004293100000000, -0.0012070100000000 ] - [ -0.0000799100000000, 0.0000429700000000, -0.0003814300000000 ] - [ -0.0014890400000000, 0.0012226400000000, -0.0016560800000000 ] - [ 0.0012367400000000, -0.0010305400000000, -0.0014791300000000 ] - [ 0.0013996200000000, -0.0008121900000000, 0.0002402700000000 ] - [ -0.0048351200000000, 0.0010967400000000, 0.0019003000000000 ] - [ -0.0024565900000000, -0.0005654100000000, -0.0057613400000000 ] - [ 0.0005562100000000, 0.0001040300000000, -0.0010743000000000 ] - [ -0.0009582200000000, 0.0007618000000000, -0.0013547000000000 ] - [ -0.0017501300000000, 0.0012079300000000, -0.0020681100000000 ] - [ -0.0017833800000000, 0.0027147900000000, 0.0000493300000000 ] - [ -0.0024312300000000, 0.0018869600000000, -0.0008100300000000 ] - [ 0.0023974900000000, 0.0002907800000000, -0.0014696400000000 ] - [ 0.0016221300000000, 0.0010948300000000, -0.0021705800000000 ] - [ 0.0036254600000000, 0.0011446400000000, 0.0006821000000000 ] - [ 0.0027128900000000, 0.0010179800000000, -0.0010278500000000 ] - [ 0.0001081400000000, -0.0009560000000000, 0.0015882000000000 ] - [ -0.0016878600000000, -0.0010551600000000, -0.0043605100000000 ] - [ -0.0009646100000000, -0.0085351900000000, 0.0045415300000000 ] - [ -0.0010496400000000, -0.0032099000000000, -0.0007680200000000 ] - [ 0.0011736600000000, -0.0025968000000000, 0.0015733500000000 ] - [ 0.0016080100000000, -0.0009834000000000, -0.0043702300000000 ] - [ 0.0017069700000000, -0.0016469800000000, -0.0013320200000000 ] - [ -0.0036670900000000, -0.0063064800000000, 0.0067295700000000 ] - [ -0.0002571200000000, -0.0000613100000000, 0.0041303200000000 ] - [ 0.0001838500000000, 0.0001648400000000, 0.0063874700000000 ] - [ -0.0010004200000000, -0.0000735600000000, 0.0133525300000000 ] - [ 0.0009123300000000, -0.0020739600000000, 0.0036605500000000 ] - [ 0.0031290600000000, -0.0015234900000000, 0.0093488600000000 ] - [ 0.0006574500000000, -0.0002770400000000, 0.0040859500000000 ] - [ -0.0000922400000000, 0.0017314200000000, -0.0012072600000000 ] - [ 0.0001312800000000, 0.0020008800000000, -0.0025524000000000 ] - [ -0.0025986200000000, -0.0009048600000000, -0.0010253700000000 ] - [ -0.0015802200000000, -0.0013873500000000, -0.0000719300000000 ] - [ 0.0002335700000000, 0.0027814900000000, -0.0011405300000000 ] - [ -0.0038610700000000, 0.0145633200000000, 0.0096134100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0068881600000000, -0.0001682200000000, 0.0621812600000000 ] - [ 0.0032948900000000, -0.0022501000000000, -0.0048537300000000 ] - [ 0.0043304200000000, -0.0005298700000000, 0.0004953300000000 ] - [ -0.0047695000000000, -0.0056181200000000, 0.0003891800000000 ] - [ 0.0012441100000000, 0.0036729500000000, 0.0041361700000000 ] - [ -0.0001416100000000, 0.0033531800000000, 0.0001943000000000 ] - [ 0.0015998600000000, -0.0042243200000000, 0.0003847100000000 ] - [ 0.0042176600000000, 0.0063368100000000, 0.0004991500000000 ] - [ -0.0029391800000000, 0.0019435200000000, 0.0005860700000000 ] - [ -0.0036335800000000, 0.0007510000000000, 0.0005804700000000 ] - [ -0.0024867100000000, -0.0026352300000000, 0.0041379500000000 ] - [ -0.0029848900000000, -0.0014210500000000, 0.0001948000000000 ] - [ 0.0002224100000000, 0.0004434900000000, -0.0004073500000000 ] - [ 0.0000564400000000, -0.0000355100000000, -0.0012413300000000 ] - [ 0.0015323200000000, -0.0012451900000000, 0.0000344300000000 ] - [ -0.0012017900000000, 0.0010132300000000, -0.0001302500000000 ] - [ -0.0014290600000000, 0.0008233500000000, -0.0046348000000000 ] - [ 0.0048047100000000, -0.0010924800000000, -0.0063274600000000 ] - [ 0.0024634300000000, 0.0005652700000000, 0.0013215400000000 ] - [ -0.0005501400000000, -0.0001012500000000, -0.0033514600000000 ] - [ -0.0023798300000000, 0.0014473700000000, -0.0023748500000000 ] - [ -0.0015899400000000, 0.0010052700000000, -0.0016483200000000 ] - [ -0.0028226500000000, 0.0010712400000000, -0.0009094700000000 ] - [ -0.0021788900000000, 0.0018955100000000, -0.0000469100000000 ] - [ 0.0011535900000000, 0.0014953300000000, -0.0022590800000000 ] - [ 0.0019275800000000, 0.0006993800000000, -0.0015425500000000 ] - [ 0.0019509600000000, 0.0009540300000000, -0.0015492700000000 ] - [ 0.0028690500000000, 0.0010836000000000, 0.0001672600000000 ] - [ -0.0037128100000000, -0.0008300000000000, -0.0053258900000000 ] - [ -0.0018753700000000, -0.0007031400000000, 0.0006348600000000 ] - [ 0.0000391400000000, 0.0027567900000000, -0.0054058500000000 ] - [ 0.0000720400000000, -0.0026805500000000, -0.0000898800000000 ] - [ 0.0021541300000000, 0.0004295900000000, -0.0052971000000000 ] - [ 0.0017002000000000, -0.0012271500000000, 0.0006461500000000 ] - [ 0.0029128000000000, -0.0021386400000000, 0.0004740400000000 ] - [ 0.0080730300000000, 0.0024227200000000, -0.0075069800000000 ] - [ 0.0002579300000000, 0.0000570700000000, 0.0061140400000000 ] - [ -0.0001822100000000, -0.0001671700000000, 0.0038553000000000 ] - [ 0.0009165500000000, -0.0040459100000000, -0.0178831900000000 ] - [ -0.0010676800000000, -0.0019656100000000, -0.0068774300000000 ] - [ -0.0032455100000000, 0.0015695700000000, 0.0008444800000000 ] - [ -0.0006479800000000, 0.0002724800000000, 0.0061606200000000 ] - [ 0.0003511400000000, 0.0022340000000000, -0.0025183200000000 ] - [ 0.0001307100000000, 0.0019666200000000, -0.0011683100000000 ] - [ -0.0029897100000000, -0.0011957700000000, 0.0001534700000000 ] - [ -0.0039996000000000, -0.0007181400000000, -0.0007848600000000 ] - [ 0.0007411400000000, 0.0031054500000000, 0.0002834400000000 ] - [ 0.0047005600000000, -0.0083754100000000, -0.0103343800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0051401000000000, -0.0064796100000000, 0.0013399900000000 ] - [ 0.0028914100000000, -0.0017918000000000, 0.0015214800000000 ] - [ 0.0001325500000000, -0.0032956900000000, 0.0013080000000000 ] - [ -0.0001988000000000, -0.0032904600000000, 0.0019116200000000 ] - [ -0.0027722800000000, 0.0047917900000000, 0.0020853700000000 ] - [ 0.0000970600000000, 0.0033405900000000, 0.0015898600000000 ] - [ 0.0030590000000000, 0.0016573600000000, 0.0030911400000000 ] - [ 0.0031505600000000, 0.0017675900000000, -0.0002495200000000 ] - [ -0.0026604400000000, 0.0018191800000000, 0.0003743900000000 ] - [ -0.0026885000000000, 0.0015063700000000, 0.0030937700000000 ] - [ 0.0024428100000000, 0.0012838600000000, 0.0013272400000000 ] - [ -0.0028217900000000, -0.0016269000000000, 0.0016583000000000 ] - [ -0.0762594000000000, 0.0010153800000000, -0.0007249400000000 ] - [ -0.0000502400000000, 0.0000030200000000, -0.0008146800000000 ] - [ 0.0004269500000000, -0.0000573900000000, -0.0008197500000000 ] - [ 0.0004266500000000, 0.0000503600000000, -0.0008017100000000 ] - [ 0.0001388500000000, 0.0000342800000000, -0.0022112100000000 ] - [ -0.0003311200000000, -0.0003227100000000, -0.0022123700000000 ] - [ 0.0012192000000000, 0.0006229400000000, -0.0022089700000000 ] - [ -0.0000103700000000, 0.0000490100000000, -0.0022136500000000 ] - [ -0.0016010300000000, 0.0011133800000000, -0.0022622800000000 ] - [ -0.0014393200000000, 0.0010823400000000, -0.0015957800000000 ] - [ -0.0027556900000000, 0.0018024700000000, -0.0005494600000000 ] - [ -0.0024682600000000, 0.0019293900000000, -0.0004062500000000 ] - [ 0.0019510800000000, 0.0009310000000000, -0.0017361700000000 ] - [ 0.0020197100000000, 0.0008536500000000, -0.0019437400000000 ] - [ 0.0025156700000000, 0.0007711600000000, -0.0008412500000000 ] - [ 0.0027697800000000, 0.0009672100000000, -0.0004000100000000 ] - [ -0.0007291700000000, 0.0062547900000000, -0.0021424700000000 ] - [ -0.0016862700000000, -0.0008735600000000, -0.0018468400000000 ] - [ -0.0006863800000000, -0.0029912300000000, 0.0001078800000000 ] - [ -0.0004810100000000, -0.0028430400000000, -0.0004778700000000 ] - [ 0.0403624000000000, 0.0134759800000000, -0.0005454500000000 ] - [ 0.0018120700000000, -0.0010804700000000, -0.0018145600000000 ] - [ 0.0022358800000000, -0.0018596300000000, -0.0004546700000000 ] - [ 0.0027867100000000, -0.0018159800000000, -0.0001792600000000 ] - [ -0.0001045200000000, -0.0000587600000000, 0.0051232200000000 ] - [ -0.0006159700000000, -0.0002685200000000, 0.0051247000000000 ] - [ -0.0000204200000000, -0.0018851000000000, -0.0015951500000000 ] - [ 0.0001470800000000, -0.0020204000000000, -0.0020402300000000 ] - [ 0.0003874200000000, 0.0002254600000000, 0.0051204100000000 ] - [ 0.0000347400000000, 0.0000899400000000, 0.0051216300000000 ] - [ 0.0278233500000000, -0.0208945900000000, -0.0029446800000000 ] - [ 0.0002129100000000, 0.0019927500000000, -0.0019264200000000 ] - [ -0.0027882000000000, -0.0010886400000000, -0.0003501800000000 ] - [ -0.0023964200000000, -0.0008862200000000, -0.0005295900000000 ] - [ 0.0005211600000000, 0.0030016800000000, -0.0004793700000000 ] - [ 0.0008604600000000, 0.0029977800000000, -0.0005804800000000 ]- atom: 13 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0003831500000000, 0.0031487800000000, 0.0018187700000000 ] - [ 0.0028107400000000, -0.0016582200000000, 0.0016574800000000 ] - [ -0.0002722200000000, -0.0033610600000000, 0.0018585500000000 ] - [ 0.0000622100000000, -0.0033626900000000, 0.0012849500000000 ] - [ 0.0028988300000000, 0.0018388000000000, 0.0010909500000000 ] - [ 0.0000395800000000, 0.0033229000000000, 0.0015891600000000 ] - [ 0.0027740100000000, 0.0015517500000000, 0.0001019000000000 ] - [ 0.0026828700000000, 0.0014396600000000, 0.0033984000000000 ] - [ -0.0030368500000000, 0.0016276500000000, 0.0028117900000000 ] - [ -0.0030098000000000, 0.0019347800000000, 0.0000715600000000 ] - [ -0.0079917100000000, -0.0044082100000000, 0.0018414700000000 ] - [ -0.0030153700000000, -0.0015866300000000, 0.0015214800000000 ] - [ 0.0773024600000000, 0.0010414100000000, -0.0007282200000000 ] - [ 0.0000250700000000, 0.0000024300000000, -0.0008114100000000 ] - [ -0.0004010700000000, 0.0000483100000000, -0.0008157500000000 ] - [ -0.0004031600000000, -0.0000572800000000, -0.0008036000000000 ] - [ -0.0001390600000000, -0.0000324500000000, -0.0022115600000000 ] - [ 0.0003352900000000, 0.0003123800000000, -0.0022126100000000 ] - [ -0.0012177400000000, -0.0006089400000000, -0.0022093900000000 ] - [ 0.0000099100000000, -0.0000485500000000, -0.0022136700000000 ] - [ -0.0017346200000000, 0.0010921800000000, -0.0014678800000000 ] - [ -0.0018964900000000, 0.0011195500000000, -0.0021261500000000 ] - [ -0.0018684100000000, 0.0019847100000000, -0.0003087700000000 ] - [ -0.0021399700000000, 0.0018577400000000, -0.0004474800000000 ] - [ 0.0016178400000000, 0.0008469400000000, -0.0019925100000000 ] - [ 0.0015473000000000, 0.0009310400000000, -0.0017801100000000 ] - [ 0.0030719500000000, 0.0013189300000000, -0.0000146000000000 ] - [ 0.0028146500000000, 0.0011269700000000, -0.0004538100000000 ] - [ -0.0029278600000000, -0.0081829200000000, -0.0015824100000000 ] - [ -0.0018811600000000, -0.0009175900000000, -0.0018804000000000 ] - [ -0.0002797100000000, -0.0029139100000000, -0.0009557300000000 ] - [ -0.0004940700000000, -0.0030444900000000, -0.0003766800000000 ] - [ -0.0391404300000000, -0.0166252600000000, -0.0032366700000000 ] - [ 0.0015293400000000, -0.0011163400000000, -0.0019109600000000 ] - [ 0.0023713300000000, -0.0019277400000000, -0.0003993500000000 ] - [ 0.0018292000000000, -0.0019758800000000, -0.0006765900000000 ] - [ 0.0001046300000000, 0.0000576300000000, 0.0051228400000000 ] - [ 0.0006144500000000, 0.0002591300000000, 0.0051247200000000 ] - [ -0.0002205800000000, -0.0020927200000000, -0.0021329500000000 ] - [ -0.0003784100000000, -0.0019537300000000, -0.0016798800000000 ] - [ -0.0003874700000000, -0.0002182200000000, 0.0051201400000000 ] - [ -0.0000372900000000, -0.0000893200000000, 0.0051214200000000 ] - [ -0.0265478600000000, 0.0237578000000000, -0.0008184100000000 ] - [ 0.0000219100000000, 0.0019944500000000, -0.0017994400000000 ] - [ -0.0027974900000000, -0.0010091500000000, -0.0005047100000000 ] - [ -0.0031969400000000, -0.0012022000000000, -0.0003338800000000 ] - [ 0.0004548100000000, 0.0028823200000000, -0.0003768300000000 ] - [ 0.0001142100000000, 0.0028952500000000, -0.0002731600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0035729400000000, -0.0013507400000000, 0.0011857100000000 ] - [ 0.0027831300000000, -0.0016443300000000, 0.0020139900000000 ] - [ -0.0001068000000000, -0.0042851000000000, 0.0009271000000000 ] - [ 0.0001483400000000, -0.0023794800000000, 0.0007185900000000 ] - [ -0.0006166900000000, 0.0037696300000000, 0.0011857100000000 ] - [ 0.0000324700000000, 0.0032324300000000, 0.0020139900000000 ] - [ 0.0037644100000000, 0.0020500600000000, 0.0009271000000000 ] - [ 0.0019865200000000, 0.0013182000000000, 0.0007185900000000 ] - [ -0.0036576100000000, 0.0022350400000000, 0.0009271000000000 ] - [ -0.0021348600000000, 0.0010612800000000, 0.0007185900000000 ] - [ -0.0029562500000000, -0.0024188900000000, 0.0011857100000000 ] - [ -0.0028156000000000, -0.0015881000000000, 0.0020139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0133319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004169200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017344600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023299100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014993600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022079000000000 ] - [ -0.0022992200000000, 0.0009132000000000, -0.0013105000000000 ] - [ -0.0008780000000000, 0.0014060800000000, -0.0012652800000000 ] - [ -0.0023319700000000, 0.0019366600000000, -0.0001464000000000 ] - [ -0.0022689600000000, 0.0019037800000000, -0.0004664600000000 ] - [ 0.0019404700000000, 0.0015345800000000, -0.0013105000000000 ] - [ 0.0016567000000000, 0.0000573300000000, -0.0012652800000000 ] - [ 0.0028431800000000, 0.0010512200000000, -0.0001464000000000 ] - [ 0.0027832000000000, 0.0010130900000000, -0.0004664600000000 ] - [ -0.0029008700000000, -0.0012949300000000, 0.0027505300000000 ] - [ -0.0017456000000000, -0.0009059100000000, -0.0019643300000000 ] - [ -0.0005112100000000, -0.0029878800000000, -0.0001464000000000 ] - [ -0.0005142400000000, -0.0029168700000000, -0.0004664600000000 ] - [ 0.0025718700000000, -0.0018647600000000, 0.0027505300000000 ] - [ 0.0016573400000000, -0.0010587800000000, -0.0019643300000000 ] - [ 0.0022920000000000, -0.0018984100000000, -0.0005440300000000 ] - [ 0.0021162800000000, -0.0017836100000000, -0.0002973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053237200000000 ] - [ 0.0003587500000000, -0.0024477900000000, -0.0013105000000000 ] - [ -0.0007787000000000, -0.0014634100000000, -0.0012652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051134300000000 ] - [ 0.0003290000000000, 0.0031596900000000, 0.0027505300000000 ] - [ 0.0000882600000000, 0.0019646900000000, -0.0019643300000000 ] - [ -0.0027900700000000, -0.0010357200000000, -0.0005440300000000 ] - [ -0.0026027900000000, -0.0009409500000000, -0.0002973800000000 ] - [ 0.0004980700000000, 0.0029341300000000, -0.0005440300000000 ] - [ 0.0004865100000000, 0.0027245600000000, -0.0002973800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021392100000000, -0.0021084300000000, 0.0019842500000000 ] - [ 0.0029094600000000, -0.0017967900000000, 0.0011564200000000 ] - [ -0.0000315800000000, -0.0023590000000000, 0.0022687800000000 ] - [ -0.0002850700000000, -0.0042722200000000, 0.0024109400000000 ] - [ 0.0007563500000000, 0.0029068200000000, 0.0019842500000000 ] - [ 0.0001013300000000, 0.0034180600000000, 0.0011564200000000 ] - [ 0.0020587500000000, 0.0011521500000000, 0.0022687800000000 ] - [ 0.0038423900000000, 0.0018892400000000, 0.0024109400000000 ] - [ -0.0020271700000000, 0.0012068500000000, 0.0022687800000000 ] - [ -0.0035573200000000, 0.0023829900000000, 0.0024109400000000 ] - [ -0.0028955600000000, -0.0007984000000000, 0.0019842500000000 ] - [ -0.0030108000000000, -0.0016212800000000, 0.0011564200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0121217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000669200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001355000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022281600000000 ] - [ -0.0010257800000000, 0.0012887300000000, -0.0024275700000000 ] - [ -0.0024376800000000, 0.0007954500000000, -0.0024660500000000 ] - [ -0.0022835000000000, 0.0018506100000000, -0.0007276500000000 ] - [ -0.0023392900000000, 0.0018850300000000, -0.0003962200000000 ] - [ 0.0016289600000000, 0.0002439900000000, -0.0024275700000000 ] - [ 0.0019077200000000, 0.0017133700000000, -0.0024660500000000 ] - [ 0.0027444300000000, 0.0010522600000000, -0.0007276500000000 ] - [ 0.0028021300000000, 0.0010833700000000, -0.0003962200000000 ] - [ -0.0006813000000000, -0.0005796800000000, -0.0064704700000000 ] - [ -0.0018230100000000, -0.0008757700000000, -0.0017702500000000 ] - [ -0.0004609300000000, -0.0029028700000000, -0.0007276500000000 ] - [ -0.0004628400000000, -0.0029684000000000, -0.0003962200000000 ] - [ 0.0008426700000000, -0.0003001900000000, -0.0064704700000000 ] - [ 0.0016699400000000, -0.0011408900000000, -0.0017702500000000 ] - [ 0.0023153000000000, -0.0018879700000000, -0.0003206300000000 ] - [ 0.0024945100000000, -0.0020056300000000, -0.0005653600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049226500000000 ] - [ -0.0006031800000000, -0.0015327200000000, -0.0024275700000000 ] - [ 0.0005299600000000, -0.0025088100000000, -0.0024660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051235300000000 ] - [ -0.0001613600000000, 0.0008798600000000, -0.0064704700000000 ] - [ 0.0001530700000000, 0.0020166600000000, -0.0017702500000000 ] - [ -0.0027926800000000, -0.0010611200000000, -0.0003206300000000 ] - [ -0.0029841900000000, -0.0011574900000000, -0.0005653600000000 ] - [ 0.0004773900000000, 0.0029490900000000, -0.0003206300000000 ] - [ 0.0004896700000000, 0.0031631300000000, -0.0005653600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0009124800000000, -0.0010248700000000, 0.0030103600000000 ] - [ 0.0072156500000000, -0.0069878300000000, -0.0032443600000000 ] - [ 0.0071230000000000, -0.0019149900000000, -0.0001422900000000 ] - [ -0.0000835700000000, -0.0033343800000000, 0.0019567900000000 ] - [ 0.0005484100000000, 0.0037802900000000, 0.0015904300000000 ] - [ -0.0098666700000000, 0.0005490500000000, 0.0030585400000000 ] - [ 0.0032648600000000, -0.0002854400000000, 0.0008419400000000 ] - [ 0.0029148300000000, 0.0012479200000000, 0.0017776400000000 ] - [ -0.0019009200000000, 0.0073881700000000, 0.0040399400000000 ] - [ -0.0031616900000000, 0.0015277200000000, 0.0010374500000000 ] - [ -0.0038461800000000, -0.0031116800000000, 0.0001780600000000 ] - [ -0.0035487600000000, 0.0067377000000000, 0.0049409800000000 ] - [ 0.0001262300000000, -0.0000288900000000, -0.0008099300000000 ] - [ -0.0003464100000000, 0.0003210700000000, -0.0008123100000000 ] - [ 0.0012299500000000, -0.0006258500000000, -0.0008102400000000 ] - [ 0.0000016200000000, -0.0000520200000000, -0.0008089600000000 ] - [ -0.1338884300000000, -0.0013997300000000, -0.0009133200000000 ] - [ 0.0018441300000000, 0.0000017700000000, -0.0022184700000000 ] - [ 0.0014977300000000, 0.0003010800000000, -0.0022102600000000 ] - [ 0.0014992800000000, -0.0002971900000000, -0.0022068200000000 ] - [ -0.0016600500000000, -0.0004437200000000, -0.0014930700000000 ] - [ -0.0018828200000000, 0.0010626700000000, -0.0019736800000000 ] - [ -0.0028451400000000, 0.0022034400000000, -0.0005489600000000 ] - [ -0.0023616400000000, 0.0022924600000000, 0.0003419400000000 ] - [ 0.0025315600000000, 0.0008500900000000, -0.0019663500000000 ] - [ 0.0017553100000000, 0.0008965800000000, -0.0021716100000000 ] - [ 0.0017417400000000, 0.0012585600000000, -0.0005725800000000 ] - [ 0.0016597800000000, 0.0017310900000000, -0.0014581900000000 ] - [ -0.0015479900000000, -0.0009216200000000, -0.0018497800000000 ] - [ -0.0030653500000000, -0.0013776600000000, -0.0023500900000000 ] - [ -0.0012103000000000, -0.0031291600000000, -0.0001668000000000 ] - [ -0.0013305400000000, -0.0033354500000000, -0.0001785300000000 ] - [ 0.0017936800000000, -0.0010116000000000, -0.0020804100000000 ] - [ 0.0028105300000000, -0.0012278400000000, -0.0025875600000000 ] - [ 0.0130362300000000, -0.0113511800000000, -0.0024432100000000 ] - [ 0.0020095300000000, -0.0021703400000000, -0.0002218200000000 ] - [ -0.0011890300000000, 0.0009195200000000, 0.0051246800000000 ] - [ -0.0004841800000000, -0.0000104000000000, 0.0051210000000000 ] - [ -0.0010396100000000, -0.0021454600000000, -0.0021373500000000 ] - [ -0.0002538900000000, -0.0018651300000000, -0.0014386500000000 ] - [ 0.0092608700000000, -0.0000405800000000, 0.0048900400000000 ] - [ -0.0003378400000000, -0.0001461900000000, 0.0051397000000000 ] - [ 0.0003754300000000, 0.0021337400000000, -0.0016588600000000 ] - [ 0.0003359300000000, -0.0003881700000000, -0.0006533200000000 ] - [ 0.0608061000000000, -0.0233847700000000, 0.0207717100000000 ] - [ -0.0017825100000000, -0.0012549000000000, -0.0017318900000000 ] - [ 0.0505439000000000, 0.0342281200000000, -0.0206374200000000 ] - [ 0.0007947300000000, 0.0038360400000000, 0.0006758700000000 ]- atom: 17 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0047790000000000, -0.0024246700000000, 0.0001811900000000 ] - [ -0.0015058400000000, 0.0035285900000000, 0.0063964800000000 ] - [ -0.0072678200000000, -0.0047110800000000, 0.0032980200000000 ] - [ -0.0000516300000000, -0.0033225000000000, 0.0012263300000000 ] - [ -0.0004045000000000, 0.0028591300000000, 0.0015884000000000 ] - [ 0.0099978700000000, 0.0061082200000000, 0.0001354700000000 ] - [ 0.0025345400000000, 0.0034891200000000, 0.0023228200000000 ] - [ 0.0029158800000000, 0.0019632400000000, 0.0014027200000000 ] - [ -0.0037734300000000, -0.0039503700000000, -0.0008796600000000 ] - [ -0.0025343300000000, 0.0019169800000000, 0.0021439200000000 ] - [ -0.0019752000000000, -0.0000982400000000, 0.0030095400000000 ] - [ -0.0022709800000000, -0.0099806900000000, -0.0017742000000000 ] - [ -0.0001510000000000, 0.0000367400000000, -0.0008108500000000 ] - [ 0.0003189000000000, -0.0003144700000000, -0.0008113900000000 ] - [ -0.0012034000000000, 0.0006060900000000, -0.0008096100000000 ] - [ 0.0000227800000000, 0.0000447400000000, -0.0008109600000000 ] - [ 0.1352934000000000, -0.0013999000000000, -0.0009049700000000 ] - [ -0.0018462000000000, 0.0000018000000000, -0.0022192300000000 ] - [ -0.0015016300000000, -0.0002921200000000, -0.0022111400000000 ] - [ -0.0015001300000000, 0.0002958400000000, -0.0022078000000000 ] - [ -0.0016813400000000, 0.0026448600000000, -0.0022351900000000 ] - [ -0.0014678000000000, 0.0011300000000000, -0.0017506200000000 ] - [ -0.0017601300000000, 0.0015843900000000, -0.0003072100000000 ] - [ -0.0022467700000000, 0.0014954600000000, -0.0012002500000000 ] - [ 0.0010448300000000, 0.0009473400000000, -0.0017740400000000 ] - [ 0.0018152100000000, 0.0009053700000000, -0.0015446100000000 ] - [ 0.0038531900000000, 0.0008300400000000, -0.0002879000000000 ] - [ 0.0039288400000000, 0.0003656300000000, 0.0005911900000000 ] - [ -0.0020216100000000, -0.0008839400000000, -0.0018785000000000 ] - [ -0.0005076000000000, -0.0004304600000000, -0.0013734100000000 ] - [ 0.0002270200000000, -0.0027637300000000, -0.0006924800000000 ] - [ 0.0003567300000000, -0.0025510100000000, -0.0006868300000000 ] - [ 0.0015574000000000, -0.0011767800000000, -0.0016463700000000 ] - [ 0.0005438700000000, -0.0009738100000000, -0.0011400300000000 ] - [ -0.0085371500000000, 0.0077940100000000, 0.0016646900000000 ] - [ 0.0025994700000000, -0.0016230600000000, -0.0006261100000000 ] - [ 0.0011893300000000, -0.0009161100000000, 0.0051250900000000 ] - [ 0.0004853700000000, 0.0000077500000000, 0.0051215900000000 ] - [ 0.0008020200000000, -0.0018270300000000, -0.0015887600000000 ] - [ 0.0000262100000000, -0.0021294000000000, -0.0022880700000000 ] - [ -0.0092872700000000, 0.0000944500000000, 0.0048909100000000 ] - [ 0.0003329200000000, 0.0001523800000000, 0.0051400400000000 ] - [ -0.0001504800000000, 0.0018618900000000, -0.0020678800000000 ] - [ -0.0001112600000000, 0.0043848700000000, -0.0030748600000000 ] - [ -0.0689819200000000, 0.0224875800000000, -0.0229141600000000 ] - [ -0.0038085000000000, -0.0008399000000000, 0.0008772900000000 ] - [ -0.0482649600000000, -0.0269786400000000, 0.0189299000000000 ] - [ 0.0001881000000000, 0.0020514000000000, -0.0015284700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0113679000000000, -0.0041976500000000, 0.0040434000000000 ] - [ -0.0012248400000000, 0.0001159900000000, 0.0057056700000000 ] - [ 0.0021988500000000, -0.0011239400000000, -0.0019644300000000 ] - [ -0.0007791300000000, -0.0034570900000000, 0.0027314000000000 ] - [ -0.0020486700000000, 0.0119437100000000, 0.0040434000000000 ] - [ 0.0005119700000000, -0.0011187400000000, 0.0057056700000000 ] - [ -0.0001260600000000, 0.0024662300000000, -0.0019644300000000 ] - [ 0.0033834900000000, 0.0010537900000000, 0.0027314000000000 ] - [ -0.0020727900000000, -0.0013422900000000, -0.0019644300000000 ] - [ -0.0026043600000000, 0.0024032900000000, 0.0027314000000000 ] - [ -0.0093192200000000, -0.0077460600000000, 0.0040434000000000 ] - [ 0.0007128800000000, 0.0010027500000000, 0.0057056700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009206300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1750240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003979600000000 ] - [ -0.0013691800000000, 0.0018745400000000, -0.0004747500000000 ] - [ -0.0016103300000000, 0.0009980100000000, -0.0032817200000000 ] - [ -0.0023274600000000, 0.0017226000000000, -0.0003371000000000 ] - [ -0.0018167400000000, 0.0024059800000000, -0.0002501700000000 ] - [ 0.0023079900000000, 0.0002484800000000, -0.0004747500000000 ] - [ 0.0016694700000000, 0.0008955800000000, -0.0032817200000000 ] - [ 0.0026555500000000, 0.0011543400000000, -0.0003371000000000 ] - [ 0.0029920100000000, 0.0003703500000000, -0.0002501700000000 ] - [ -0.0023347800000000, -0.0012146600000000, -0.0013875300000000 ] - [ -0.0018068800000000, -0.0009916800000000, -0.0021808900000000 ] - [ -0.0003280900000000, -0.0028769400000000, -0.0003371000000000 ] - [ -0.0011752700000000, -0.0027763300000000, -0.0002501700000000 ] - [ 0.0022193200000000, -0.0014146500000000, -0.0013875300000000 ] - [ 0.0017622600000000, -0.0010689600000000, -0.0021808900000000 ] - [ 0.0002334000000000, 0.0224488800000000, 0.0183645800000000 ] - [ 0.0016355500000000, -0.0010023300000000, -0.0030112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056022400000000 ] - [ -0.0009388100000000, -0.0021230200000000, -0.0004747500000000 ] - [ -0.0000591400000000, -0.0018935900000000, -0.0032817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1069037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044792900000000 ] - [ 0.0001154600000000, 0.0026293100000000, -0.0013875300000000 ] - [ 0.0000446200000000, 0.0020606500000000, -0.0021808900000000 ] - [ 0.0193246000000000, -0.0114265700000000, 0.0183645800000000 ] - [ -0.0016858100000000, -0.0009152600000000, -0.0030112800000000 ] - [ -0.0195580000000000, -0.0110223100000000, 0.0183645800000000 ] - [ 0.0000502700000000, 0.0019175900000000, -0.0030112800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0056434000000000, 0.0007380800000000, -0.0008309700000000 ] - [ 0.0069502100000000, -0.0035664600000000, -0.0025219900000000 ] - [ -0.0023424500000000, -0.0055387100000000, 0.0051196600000000 ] - [ 0.0006455300000000, -0.0032013900000000, 0.0004544100000000 ] - [ 0.0021825000000000, -0.0052563600000000, -0.0008309700000000 ] - [ -0.0003864600000000, 0.0078022900000000, -0.0025219900000000 ] - [ 0.0059678900000000, 0.0007407300000000, 0.0051196600000000 ] - [ 0.0024497100000000, 0.0021597400000000, 0.0004544100000000 ] - [ -0.0036254400000000, 0.0047979800000000, 0.0051196600000000 ] - [ -0.0030952500000000, 0.0010416400000000, 0.0004544100000000 ] - [ 0.0034608900000000, 0.0045182800000000, -0.0008309700000000 ] - [ -0.0065637500000000, -0.0042358300000000, -0.0025219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006999900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1654128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071358800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040156300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040178900000000 ] - [ -0.0019464800000000, 0.0003324700000000, -0.0032454400000000 ] - [ -0.0017065100000000, 0.0012063400000000, -0.0004533400000000 ] - [ -0.0022833600000000, 0.0020753000000000, -0.0005269700000000 ] - [ -0.0027916900000000, 0.0013771200000000, -0.0006117000000000 ] - [ 0.0012611600000000, 0.0015194600000000, -0.0032454400000000 ] - [ 0.0018979700000000, 0.0008747200000000, -0.0004533400000000 ] - [ 0.0029389500000000, 0.0009398000000000, -0.0005269700000000 ] - [ 0.0025884700000000, 0.0017291200000000, -0.0006117000000000 ] - [ -0.0012358100000000, -0.0005579500000000, -0.0023392800000000 ] - [ -0.0017650400000000, -0.0007849400000000, -0.0015458500000000 ] - [ -0.0006555800000000, -0.0030151000000000, -0.0005269700000000 ] - [ 0.0002032300000000, -0.0031062400000000, -0.0006117000000000 ] - [ 0.0011011000000000, -0.0007912600000000, -0.0023392800000000 ] - [ 0.0015623000000000, -0.0011361000000000, -0.0015458500000000 ] - [ 0.0044157600000000, -0.0265854500000000, -0.0191166200000000 ] - [ 0.0029786900000000, -0.0027968600000000, 0.0021626100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046369500000000 ] - [ 0.0006853100000000, -0.0018519300000000, -0.0032454400000000 ] - [ -0.0001914600000000, -0.0020810500000000, -0.0004533400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0917528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057448100000000 ] - [ 0.0001347100000000, 0.0013492100000000, -0.0023392800000000 ] - [ 0.0002027400000000, 0.0019210400000000, -0.0015458500000000 ] - [ -0.0252315500000000, 0.0094685600000000, -0.0191166200000000 ] - [ -0.0039115000000000, -0.0011811900000000, 0.0021626100000000 ] - [ 0.0208157900000000, 0.0171168900000000, -0.0191166200000000 ] - [ 0.0009328100000000, 0.0039780500000000, 0.0021626100000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0020449800000000, -0.0015679700000000, 0.0023026000000000 ] - [ 0.0014081000000000, -0.0018677500000000, 0.0015050500000000 ] - [ 0.0102524100000000, -0.0136940900000000, 0.0024859400000000 ] - [ 0.0003520700000000, -0.0032363700000000, 0.0014792700000000 ] - [ 0.0002441600000000, 0.0029180700000000, 0.0018067200000000 ] - [ 0.0000429300000000, 0.0030651200000000, 0.0014883000000000 ] - [ 0.0012862700000000, 0.0007836300000000, 0.0016944600000000 ] - [ 0.0028446200000000, 0.0015126200000000, 0.0015695500000000 ] - [ -0.0008879400000000, -0.0014354000000000, 0.0020874800000000 ] - [ -0.0029576600000000, 0.0020249500000000, 0.0016309100000000 ] - [ 0.0006578400000000, -0.0011040300000000, 0.0037761000000000 ] - [ -0.0001046200000000, -0.0018891900000000, 0.0010437200000000 ] - [ 0.0000584100000000, -0.0000897000000000, -0.0014512200000000 ] - [ 0.0002221600000000, 0.0000466200000000, -0.0000316600000000 ] - [ 0.0387145200000000, 0.0146225800000000, -0.0016412700000000 ] - [ 0.0001434000000000, -0.0000147200000000, -0.0008071400000000 ] - [ 0.0000134500000000, -0.0003749200000000, -0.0019212200000000 ] - [ -0.0002066800000000, -0.0000949100000000, -0.0021656900000000 ] - [ 0.0011377300000000, 0.0018646000000000, -0.0023108200000000 ] - [ 0.0001166300000000, -0.0000505700000000, -0.0027698000000000 ] - [ -0.0780298000000000, 0.0005993700000000, -0.0034596700000000 ] - [ -0.0022361500000000, 0.0010684600000000, -0.0014714300000000 ] - [ -0.0004407100000000, -0.0020491300000000, 0.0011540000000000 ] - [ -0.0022300900000000, 0.0017338900000000, -0.0003166400000000 ] - [ 0.0047395600000000, 0.0038847900000000, -0.0019276800000000 ] - [ 0.0016755400000000, 0.0008828600000000, -0.0019412000000000 ] - [ 0.0033228100000000, -0.0001668900000000, -0.0009794400000000 ] - [ 0.0026713100000000, 0.0009364000000000, -0.0004407300000000 ] - [ -0.0010667800000000, -0.0017673000000000, -0.0043448000000000 ] - [ -0.0011085300000000, -0.0017372400000000, 0.0012400500000000 ] - [ 0.0004113200000000, -0.0037738100000000, -0.0010641300000000 ] - [ -0.0003605200000000, -0.0031329300000000, -0.0002548100000000 ] - [ 0.0015548800000000, -0.0008877300000000, -0.0019896400000000 ] - [ 0.0015474600000000, -0.0011099000000000, -0.0019283000000000 ] - [ 0.0078903900000000, -0.0008004800000000, -0.0024307200000000 ] - [ 0.0025050300000000, -0.0019600600000000, -0.0003741600000000 ] - [ 0.0001802800000000, -0.0009706900000000, 0.0059210600000000 ] - [ -0.0000590100000000, -0.0004981800000000, 0.0053152200000000 ] - [ 0.0077290000000000, -0.0021283700000000, -0.0022041300000000 ] - [ 0.0000272300000000, -0.0018342600000000, -0.0019777100000000 ] - [ 0.0014846500000000, 0.0008380700000000, 0.0058895000000000 ] - [ 0.0000910800000000, 0.0000344800000000, 0.0051962100000000 ] - [ -0.0005589000000000, 0.0020677500000000, -0.0024177800000000 ] - [ -0.0003411900000000, 0.0021821800000000, -0.0016583300000000 ] - [ -0.0026939900000000, 0.0026742400000000, -0.0021164000000000 ] - [ -0.0028359300000000, -0.0007638400000000, -0.0002834400000000 ] - [ 0.0001661300000000, 0.0022696900000000, -0.0005326600000000 ] - [ 0.0005821500000000, 0.0029900400000000, -0.0003735100000000 ]- atom: 21 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0036433800000000, -0.0018662300000000, 0.0008750200000000 ] - [ 0.0042871100000000, -0.0015718200000000, 0.0016728100000000 ] - [ -0.0105434100000000, 0.0074188800000000, 0.0006874400000000 ] - [ -0.0004903200000000, -0.0034122700000000, 0.0017016000000000 ] - [ -0.0001107600000000, 0.0037224600000000, 0.0013793100000000 ] - [ 0.0000915500000000, 0.0035863300000000, 0.0016859500000000 ] - [ 0.0045093700000000, 0.0024276600000000, 0.0014841200000000 ] - [ 0.0029812400000000, 0.0016962300000000, 0.0016106000000000 ] - [ -0.0048137400000000, 0.0049642800000000, 0.0011100600000000 ] - [ -0.0027326200000000, 0.0014149200000000, 0.0015501300000000 ] - [ -0.0065060600000000, -0.0021018900000000, -0.0006262000000000 ] - [ -0.0057384900000000, -0.0013195500000000, 0.0021355400000000 ] - [ -0.0000825000000000, 0.0000937400000000, -0.0001576500000000 ] - [ -0.0002438800000000, -0.0000394600000000, -0.0015974300000000 ] - [ -0.0407753300000000, -0.0155507000000000, 0.0000964900000000 ] - [ -0.0001198700000000, 0.0000067300000000, -0.0008108200000000 ] - [ -0.0000063000000000, 0.0003771800000000, -0.0024956900000000 ] - [ 0.0002055600000000, 0.0000957100000000, -0.0022584700000000 ] - [ -0.0011267000000000, -0.0018628200000000, -0.0021068000000000 ] - [ -0.0001177400000000, 0.0000511100000000, -0.0016518100000000 ] - [ 0.0770797600000000, 0.0020545400000000, -0.0003207300000000 ] - [ -0.0010824100000000, 0.0011343700000000, -0.0022507400000000 ] - [ -0.0041507200000000, 0.0057886600000000, -0.0019809200000000 ] - [ -0.0023769600000000, 0.0020539000000000, -0.0005381600000000 ] - [ -0.0011912200000000, -0.0021716100000000, -0.0018034500000000 ] - [ 0.0018893900000000, 0.0008875300000000, -0.0017829700000000 ] - [ 0.0022717300000000, 0.0022500000000000, 0.0001198600000000 ] - [ 0.0029126000000000, 0.0011621500000000, -0.0004121000000000 ] - [ -0.0025071500000000, 0.0000222200000000, 0.0006439700000000 ] - [ -0.0024607800000000, -0.0000015600000000, -0.0049927900000000 ] - [ -0.0013906500000000, -0.0020974600000000, 0.0002051400000000 ] - [ -0.0006139900000000, -0.0027483800000000, -0.0005986600000000 ] - [ 0.0017598700000000, -0.0013186500000000, -0.0017374900000000 ] - [ 0.0017588600000000, -0.0011052100000000, -0.0017952300000000 ] - [ -0.0031943900000000, -0.0029762100000000, 0.0015287600000000 ] - [ 0.0020956600000000, -0.0018272900000000, -0.0004802700000000 ] - [ -0.0001821200000000, 0.0009797000000000, 0.0043159500000000 ] - [ 0.0000590700000000, 0.0004955500000000, 0.0049295500000000 ] - [ -0.0081225500000000, -0.0017993900000000, -0.0015162800000000 ] - [ -0.0002804900000000, -0.0021403900000000, -0.0017474200000000 ] - [ -0.0014651700000000, -0.0008160300000000, 0.0043683100000000 ] - [ -0.0000933800000000, -0.0000369200000000, 0.0050479300000000 ] - [ 0.0008182700000000, 0.0019004400000000, -0.0013146700000000 ] - [ 0.0006100500000000, 0.0017807000000000, -0.0020684100000000 ] - [ -0.0029031000000000, -0.0047771500000000, 0.0012673100000000 ] - [ -0.0027477900000000, -0.0013322400000000, -0.0005701400000000 ] - [ 0.0008043000000000, 0.0036132100000000, -0.0003219400000000 ] - [ 0.0003927900000000, 0.0028950400000000, -0.0004786300000000 ]- atom: 21 displacement: [ -0.0050000000092203, 0.0086602540325210, 0.0000000000000000 ] forces: - [ 0.0036786100000000, -0.0017397100000000, 0.0009350500000000 ] - [ 0.0043422500000000, -0.0019301000000000, 0.0017201800000000 ] - [ -0.0162620800000000, 0.0180316700000000, -0.0003530900000000 ] - [ -0.0004437600000000, -0.0038309300000000, 0.0014983800000000 ] - [ -0.0006317500000000, 0.0028332700000000, 0.0022099100000000 ] - [ -0.0010488500000000, 0.0025289300000000, 0.0014366600000000 ] - [ 0.0030639100000000, 0.0029292100000000, 0.0012597800000000 ] - [ 0.0028543300000000, 0.0019022000000000, 0.0016061300000000 ] - [ -0.0053469100000000, 0.0256995100000000, 0.0026398800000000 ] - [ -0.0024392600000000, 0.0016719900000000, 0.0014629800000000 ] - [ -0.0049760400000000, 0.0006694500000000, 0.0003426300000000 ] - [ -0.0041608100000000, 0.0011758600000000, 0.0011390800000000 ] - [ -0.0000363900000000, 0.0001810500000000, -0.0006532800000000 ] - [ -0.0001429900000000, 0.0001992500000000, -0.0009367000000000 ] - [ -0.0067726100000000, -0.0026955800000000, 0.0002997500000000 ] - [ -0.0000418600000000, 0.0000781900000000, -0.0008482700000000 ] - [ -0.0013303900000000, 0.0000862700000000, -0.0016948300000000 ] - [ 0.0000752400000000, 0.0000100000000000, -0.0023245800000000 ] - [ -0.0006817000000000, -0.0018800300000000, -0.0021922400000000 ] - [ 0.0000130900000000, 0.0002824300000000, -0.0016495300000000 ] - [ 0.0368091600000000, -0.0674078300000000, 0.0017577700000000 ] - [ -0.0014153400000000, 0.0006755200000000, -0.0018110400000000 ] - [ -0.0053397800000000, 0.0057401200000000, -0.0024278600000000 ] - [ -0.0024590300000000, 0.0019633700000000, -0.0007026000000000 ] - [ 0.0049628500000000, 0.0034925000000000, -0.0020739900000000 ] - [ 0.0021898100000000, 0.0009132500000000, -0.0019099500000000 ] - [ 0.0026268800000000, 0.0026111400000000, 0.0002595800000000 ] - [ 0.0028408300000000, 0.0011125100000000, -0.0002564300000000 ] - [ -0.0037812900000000, 0.0001714300000000, 0.0016639300000000 ] - [ -0.0029064900000000, -0.0005720100000000, -0.0054202800000000 ] - [ -0.0031108300000000, -0.0002755900000000, -0.0002214800000000 ] - [ -0.0008110600000000, -0.0025173500000000, -0.0005813800000000 ] - [ 0.0017305100000000, -0.0015598900000000, -0.0018396900000000 ] - [ 0.0019151500000000, -0.0014514800000000, -0.0018097900000000 ] - [ 0.0000239800000000, -0.0028610600000000, 0.0001490100000000 ] - [ 0.0024521600000000, -0.0018074200000000, -0.0003038900000000 ] - [ -0.0007142700000000, 0.0021050000000000, 0.0041743300000000 ] - [ -0.0000649000000000, 0.0005946800000000, 0.0048343900000000 ] - [ -0.0062634100000000, -0.0021249500000000, -0.0019003200000000 ] - [ -0.0004086800000000, -0.0022955400000000, -0.0016712600000000 ] - [ 0.0000602700000000, 0.0000922600000000, 0.0051232700000000 ] - [ -0.0001150500000000, 0.0000304600000000, 0.0052507800000000 ] - [ 0.0005527400000000, 0.0030410800000000, -0.0043673500000000 ] - [ 0.0013818800000000, 0.0035676500000000, 0.0017042100000000 ] - [ 0.0006123000000000, 0.0034811100000000, -0.0030661200000000 ] - [ -0.0026661800000000, -0.0011694100000000, -0.0004500800000000 ] - [ 0.0016636000000000, 0.0051491700000000, 0.0003979700000000 ] - [ 0.0005221700000000, 0.0030983500000000, -0.0003996200000000 ]- atom: 21 displacement: [ 0.0050000000092203, -0.0086602540325210, 0.0000000000000000 ] forces: - [ 0.0020247300000000, -0.0017005500000000, 0.0022401800000000 ] - [ 0.0013581000000000, -0.0015107500000000, 0.0014635900000000 ] - [ 0.0152765500000000, -0.0235353500000000, 0.0034682800000000 ] - [ 0.0003031000000000, -0.0028263400000000, 0.0016838600000000 ] - [ 0.0007616500000000, 0.0038286400000000, 0.0009668600000000 ] - [ 0.0011923900000000, 0.0041332900000000, 0.0017408300000000 ] - [ 0.0027597200000000, 0.0002761600000000, 0.0019162100000000 ] - [ 0.0029804500000000, 0.0013066200000000, 0.0015737900000000 ] - [ -0.0002815200000000, -0.0234800800000000, 0.0005084100000000 ] - [ -0.0032571400000000, 0.0017738400000000, 0.0017177500000000 ] - [ -0.0008615700000000, -0.0038771800000000, 0.0028242500000000 ] - [ -0.0016802600000000, -0.0043887400000000, 0.0020340200000000 ] - [ 0.0000147400000000, -0.0001726500000000, -0.0009690400000000 ] - [ 0.0001193000000000, -0.0001922200000000, -0.0006884400000000 ] - [ 0.0069050000000000, 0.0026633200000000, -0.0019198400000000 ] - [ 0.0000638500000000, -0.0000864200000000, -0.0007704200000000 ] - [ 0.0013544500000000, -0.0000811100000000, -0.0027427900000000 ] - [ -0.0000741500000000, -0.0000067800000000, -0.0020973400000000 ] - [ 0.0006717300000000, 0.0018536900000000, -0.0022354000000000 ] - [ -0.0000121200000000, -0.0002784700000000, -0.0027494000000000 ] - [ -0.0394715500000000, 0.0696920600000000, -0.0053828500000000 ] - [ -0.0019187500000000, 0.0015221500000000, -0.0019154000000000 ] - [ 0.0007772900000000, -0.0019650000000000, 0.0016035800000000 ] - [ -0.0021501500000000, 0.0018327700000000, -0.0001553600000000 ] - [ -0.0013930100000000, -0.0016824800000000, -0.0016538700000000 ] - [ 0.0013775400000000, 0.0008798400000000, -0.0018165300000000 ] - [ 0.0029717800000000, -0.0005129900000000, -0.0011087400000000 ] - [ 0.0027480200000000, 0.0009811300000000, -0.0005984900000000 ] - [ 0.0002114100000000, -0.0019655600000000, -0.0053677900000000 ] - [ -0.0006642200000000, -0.0012183300000000, 0.0016614100000000 ] - [ 0.0021287800000000, -0.0055946700000000, -0.0005974600000000 ] - [ -0.0001689000000000, -0.0033681700000000, -0.0002710100000000 ] - [ 0.0016112300000000, -0.0006379700000000, -0.0018843600000000 ] - [ 0.0014222700000000, -0.0007456900000000, -0.0019161800000000 ] - [ 0.0045817900000000, -0.0009284600000000, -0.0010035700000000 ] - [ 0.0021421300000000, -0.0019825600000000, -0.0005549700000000 ] - [ 0.0007224000000000, -0.0020835700000000, 0.0060492000000000 ] - [ 0.0000657500000000, -0.0005930600000000, 0.0054177900000000 ] - [ 0.0060042200000000, -0.0018686800000000, -0.0018275700000000 ] - [ 0.0001734100000000, -0.0016936300000000, -0.0020577900000000 ] - [ -0.0000716000000000, -0.0000976000000000, 0.0051230200000000 ] - [ 0.0001105500000000, -0.0000339100000000, 0.0049971200000000 ] - [ -0.0003196700000000, 0.0009554200000000, 0.0006508700000000 ] - [ -0.0011526300000000, 0.0004207800000000, -0.0054454100000000 ] - [ -0.0061879500000000, -0.0055729200000000, 0.0022080100000000 ] - [ -0.0029218900000000, -0.0009309900000000, -0.0004063800000000 ] - [ -0.0007024000000000, 0.0007076400000000, -0.0012580400000000 ] - [ 0.0004551400000000, 0.0027855300000000, -0.0004546100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0039188600000000, -0.0016982500000000, 0.0021066200000000 ] - [ 0.0019532300000000, -0.0018471600000000, 0.0013729600000000 ] - [ -0.0002677500000000, -0.0040351300000000, 0.0050557500000000 ] - [ -0.0001539400000000, -0.0036107200000000, -0.0009080600000000 ] - [ 0.0010361500000000, 0.0037586200000000, 0.0019907900000000 ] - [ -0.0007330400000000, 0.0027086200000000, 0.0012695800000000 ] - [ 0.0024280500000000, 0.0013265500000000, 0.0022457600000000 ] - [ 0.0027355500000000, 0.0020312200000000, 0.0008952900000000 ] - [ -0.0012396700000000, 0.0029901200000000, 0.0050259700000000 ] - [ -0.0027790700000000, 0.0018379700000000, -0.0009199700000000 ] - [ -0.0005798300000000, 0.0002591500000000, 0.0176120600000000 ] - [ -0.0040566400000000, -0.0017042100000000, 0.0066001100000000 ] - [ -0.0004116500000000, -0.0000789500000000, -0.0002468000000000 ] - [ 0.0002504900000000, 0.0000600800000000, -0.0002068500000000 ] - [ -0.0012666800000000, -0.0004296400000000, 0.0037826200000000 ] - [ -0.0000353900000000, -0.0000500700000000, -0.0008965400000000 ] - [ 0.0003671400000000, 0.0000991400000000, -0.0008193300000000 ] - [ -0.0001128700000000, -0.0004292900000000, -0.0036282500000000 ] - [ 0.0007251700000000, 0.0009808500000000, -0.0025252900000000 ] - [ 0.0002168000000000, 0.0001093700000000, -0.0017452200000000 ] - [ -0.0035288200000000, 0.0041992000000000, -0.0489833800000000 ] - [ -0.0012727400000000, 0.0013856100000000, 0.0015256700000000 ] - [ -0.0009015100000000, -0.0006630900000000, -0.0002109400000000 ] - [ -0.0026242000000000, 0.0023207100000000, -0.0003164600000000 ] - [ 0.0017621000000000, 0.0013135700000000, -0.0038597400000000 ] - [ 0.0019732000000000, 0.0009034400000000, -0.0010273400000000 ] - [ 0.0029987800000000, 0.0006103900000000, -0.0005688400000000 ] - [ 0.0028090200000000, 0.0011822500000000, -0.0002665300000000 ] - [ -0.0053744200000000, 0.0014373600000000, 0.0020208300000000 ] - [ 0.0007095800000000, -0.0029534100000000, 0.0022229200000000 ] - [ -0.0006458800000000, -0.0026710500000000, -0.0013087100000000 ] - [ -0.0004715100000000, -0.0033437700000000, -0.0000885300000000 ] - [ 0.0017201800000000, -0.0011280700000000, -0.0020263200000000 ] - [ 0.0017856100000000, -0.0010554300000000, -0.0020193900000000 ] - [ 0.0003316300000000, -0.0022363300000000, -0.0006221400000000 ] - [ 0.0040451700000000, -0.0021418800000000, 0.0003725400000000 ] - [ -0.0000068600000000, 0.0003536700000000, 0.0047530600000000 ] - [ 0.0000090300000000, -0.0000641700000000, 0.0053090000000000 ] - [ 0.0001646900000000, -0.0018984700000000, -0.0038620500000000 ] - [ -0.0000027300000000, -0.0020031700000000, -0.0010255300000000 ] - [ 0.0007684100000000, 0.0004736000000000, 0.0042068300000000 ] - [ -0.0005199900000000, -0.0004998200000000, 0.0058359500000000 ] - [ -0.0002960300000000, -0.0018864100000000, 0.0022664100000000 ] - [ 0.0011442000000000, 0.0054339200000000, 0.0019836700000000 ] - [ -0.0045457900000000, -0.0048079700000000, 0.0003617500000000 ] - [ -0.0025812500000000, -0.0002309300000000, 0.0000946200000000 ] - [ 0.0003229400000000, 0.0028149500000000, -0.0007306100000000 ] - [ 0.0002322800000000, 0.0028770200000000, -0.0000979500000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017817600000000, -0.0017474900000000, 0.0010879400000000 ] - [ 0.0037532100000000, -0.0015969000000000, 0.0017923500000000 ] - [ 0.0001850500000000, -0.0026574100000000, -0.0018598700000000 ] - [ 0.0000160700000000, -0.0030504200000000, 0.0040901400000000 ] - [ -0.0008946300000000, 0.0028984200000000, 0.0012030600000000 ] - [ 0.0008762100000000, 0.0039572900000000, 0.0018972100000000 ] - [ 0.0033903400000000, 0.0018823900000000, 0.0009335500000000 ] - [ 0.0030960200000000, 0.0011851600000000, 0.0022821800000000 ] - [ -0.0044503200000000, 0.0005090500000000, -0.0018459300000000 ] - [ -0.0029225200000000, 0.0016069600000000, 0.0040994300000000 ] - [ -0.0050178700000000, -0.0033582300000000, -0.0136199600000000 ] - [ -0.0016360800000000, -0.0014587200000000, -0.0039371000000000 ] - [ 0.0003819500000000, 0.0000835600000000, -0.0013690300000000 ] - [ -0.0002774000000000, -0.0000529000000000, -0.0014092200000000 ] - [ 0.0014237100000000, 0.0004753400000000, -0.0054403100000000 ] - [ 0.0000599900000000, 0.0000423000000000, -0.0007141300000000 ] - [ -0.0003750400000000, -0.0001064300000000, -0.0035905600000000 ] - [ 0.0001101200000000, 0.0004235000000000, -0.0007992500000000 ] - [ -0.0007210900000000, -0.0009803900000000, -0.0018904300000000 ] - [ -0.0002184000000000, -0.0001102600000000, -0.0026962800000000 ] - [ -0.0004022600000000, -0.0022372100000000, 0.0449811900000000 ] - [ -0.0020686400000000, 0.0008109500000000, -0.0052550300000000 ] - [ -0.0037010300000000, 0.0044436100000000, -0.0006543600000000 ] - [ -0.0019818000000000, 0.0014598500000000, -0.0005337500000000 ] - [ 0.0018381400000000, 0.0004926000000000, 0.0001371700000000 ] - [ 0.0015914300000000, 0.0008775000000000, -0.0026983600000000 ] - [ 0.0025857000000000, 0.0014824100000000, -0.0002907400000000 ] - [ 0.0027751600000000, 0.0009159100000000, -0.0005851900000000 ] - [ 0.0017716300000000, -0.0031821800000000, -0.0057115000000000 ] - [ -0.0043108100000000, 0.0012141700000000, -0.0059996100000000 ] - [ -0.0003250800000000, -0.0032160700000000, 0.0004391700000000 ] - [ -0.0005017300000000, -0.0025385200000000, -0.0007643500000000 ] - [ 0.0016045100000000, -0.0010763700000000, -0.0017056900000000 ] - [ 0.0015381100000000, -0.0011491800000000, -0.0017009200000000 ] - [ 0.0042907000000000, -0.0015459700000000, -0.0002268200000000 ] - [ 0.0005888600000000, -0.0016499100000000, -0.0012190500000000 ] - [ 0.0000047300000000, -0.0003618800000000, 0.0055035900000000 ] - [ -0.0000092400000000, 0.0000655900000000, 0.0049276400000000 ] - [ -0.0003679300000000, -0.0020798400000000, 0.0001349000000000 ] - [ -0.0002424600000000, -0.0019781300000000, -0.0026967700000000 ] - [ -0.0007605800000000, -0.0004694400000000, 0.0060291900000000 ] - [ 0.0005280500000000, 0.0005090600000000, 0.0044097900000000 ] - [ 0.0005393700000000, 0.0058130100000000, -0.0059538000000000 ] - [ -0.0009010400000000, -0.0015025600000000, -0.0057508100000000 ] - [ -0.0010392100000000, 0.0027220400000000, -0.0012038800000000 ] - [ -0.0030018800000000, -0.0018555400000000, -0.0009478900000000 ] - [ 0.0006546600000000, 0.0030824900000000, -0.0001203700000000 ] - [ 0.0007415400000000, 0.0030087800000000, -0.0007575400000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0025512800000000, -0.0030596000000000, 0.0021141900000000 ] - [ 0.0031689900000000, -0.0020650200000000, 0.0014641000000000 ] - [ 0.0013513700000000, -0.0022617000000000, 0.0019056600000000 ] - [ -0.0003728300000000, -0.0030687600000000, 0.0018150400000000 ] - [ -0.0022325200000000, 0.0030258900000000, 0.0010888900000000 ] - [ -0.0002510400000000, 0.0034585200000000, 0.0016569800000000 ] - [ 0.0221227200000000, -0.0026497700000000, -0.0107457500000000 ] - [ 0.0031786600000000, 0.0017851700000000, 0.0016076400000000 ] - [ 0.0061510900000000, 0.0071790000000000, 0.0073070300000000 ] - [ -0.0021643800000000, 0.0012077300000000, 0.0021940700000000 ] - [ 0.0010791800000000, -0.0048505200000000, -0.0029981500000000 ] - [ -0.0028240600000000, -0.0013973100000000, 0.0016408400000000 ] - [ -0.0004593700000000, 0.0001770100000000, -0.0008230900000000 ] - [ -0.0001779500000000, 0.0000011000000000, -0.0007734800000000 ] - [ 0.0004916400000000, -0.0001177500000000, -0.0006198600000000 ] - [ -0.0000555900000000, -0.0000061000000000, -0.0008004200000000 ] - [ -0.0005404300000000, 0.0000761600000000, -0.0022349300000000 ] - [ -0.0000632000000000, -0.0000555400000000, -0.0017250500000000 ] - [ 0.0107681700000000, -0.0082226300000000, -0.0001571900000000 ] - [ -0.0002966600000000, -0.0005432900000000, -0.0015419200000000 ] - [ 0.0001883200000000, -0.0013590900000000, -0.0004668700000000 ] - [ -0.0015953500000000, 0.0009639400000000, -0.0021845500000000 ] - [ -0.0673483100000000, 0.0163058500000000, 0.0099262400000000 ] - [ -0.0024394000000000, 0.0020061100000000, -0.0004193100000000 ] - [ 0.0054020000000000, 0.0001686000000000, -0.0015460200000000 ] - [ 0.0023110200000000, 0.0008516000000000, -0.0022154600000000 ] - [ 0.0064828900000000, -0.0058241900000000, -0.0007846500000000 ] - [ 0.0028559500000000, 0.0010425700000000, -0.0006640900000000 ] - [ -0.0004496700000000, -0.0011769200000000, -0.0018317900000000 ] - [ -0.0016630700000000, -0.0009525700000000, -0.0019317600000000 ] - [ -0.0008995200000000, 0.0015489400000000, -0.0008738100000000 ] - [ -0.0007031200000000, -0.0031008200000000, -0.0005348700000000 ] - [ 0.0072507400000000, -0.0005247500000000, 0.0001295700000000 ] - [ 0.0018712600000000, -0.0008000900000000, -0.0036038300000000 ] - [ 0.0020309800000000, -0.0016533700000000, -0.0000522100000000 ] - [ 0.0020312500000000, -0.0012501300000000, -0.0002851900000000 ] - [ -0.0008352500000000, -0.0003267500000000, 0.0036438600000000 ] - [ -0.0015300700000000, -0.0005341400000000, 0.0053918100000000 ] - [ 0.0003684900000000, -0.0008040100000000, -0.0015863900000000 ] - [ -0.0001974600000000, -0.0018528600000000, -0.0019881200000000 ] - [ 0.0001349200000000, -0.0005338200000000, 0.0053433500000000 ] - [ -0.0000337100000000, 0.0001437600000000, 0.0053311000000000 ] - [ 0.0089498900000000, 0.0033315400000000, -0.0059584200000000 ] - [ 0.0003065100000000, 0.0018404400000000, -0.0010583600000000 ] - [ -0.0026474000000000, -0.0011241800000000, -0.0006601600000000 ] - [ -0.0026699900000000, -0.0014262800000000, -0.0007405900000000 ] - [ 0.0008789500000000, 0.0034754500000000, -0.0002537500000000 ] - [ 0.0005240900000000, 0.0029526000000000, -0.0005003400000000 ]- atom: 23 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0031508300000000, -0.0004025100000000, 0.0010742000000000 ] - [ 0.0025247500000000, -0.0013920500000000, 0.0017167300000000 ] - [ -0.0014836200000000, -0.0043962500000000, 0.0012750300000000 ] - [ 0.0002406800000000, -0.0036111400000000, 0.0013672300000000 ] - [ 0.0023676000000000, 0.0036452300000000, 0.0020910300000000 ] - [ 0.0003885600000000, 0.0032122100000000, 0.0015221400000000 ] - [ -0.0156013100000000, 0.0057504200000000, 0.0134048100000000 ] - [ 0.0026739000000000, 0.0014319900000000, 0.0015804800000000 ] - [ -0.0122860600000000, -0.0039512300000000, -0.0044358000000000 ] - [ -0.0035533500000000, 0.0022445300000000, 0.0009884200000000 ] - [ -0.0070155500000000, 0.0018267400000000, 0.0062792400000000 ] - [ -0.0030068900000000, -0.0018165700000000, 0.0015377800000000 ] - [ 0.0004276700000000, -0.0001780500000000, -0.0007799300000000 ] - [ 0.0001511900000000, 0.0000049000000000, -0.0008463400000000 ] - [ -0.0004661000000000, 0.0001077900000000, -0.0009974700000000 ] - [ 0.0000807500000000, -0.0000025900000000, -0.0008219500000000 ] - [ 0.0005450100000000, -0.0000866200000000, -0.0021906900000000 ] - [ 0.0000518200000000, 0.0000673100000000, -0.0026998000000000 ] - [ -0.0108057600000000, 0.0083819300000000, -0.0043394700000000 ] - [ 0.0002930600000000, 0.0005509700000000, -0.0028848500000000 ] - [ -0.0035317000000000, 0.0035594300000000, -0.0032652700000000 ] - [ -0.0017496400000000, 0.0012336600000000, -0.0015399200000000 ] - [ 0.0626077800000000, -0.0125215000000000, -0.0100303400000000 ] - [ -0.0021661700000000, 0.0017788700000000, -0.0004379300000000 ] - [ -0.0018212600000000, 0.0016339900000000, -0.0021774000000000 ] - [ 0.0012550600000000, 0.0009393700000000, -0.0015005800000000 ] - [ -0.0008610100000000, 0.0078488300000000, -0.0000837800000000 ] - [ 0.0027209400000000, 0.0010522300000000, -0.0001956000000000 ] - [ -0.0031153300000000, -0.0006241300000000, -0.0018959700000000 ] - [ -0.0019020100000000, -0.0008369200000000, -0.0017896700000000 ] - [ -0.0000560600000000, -0.0073967800000000, -0.0000071400000000 ] - [ -0.0002684600000000, -0.0027812500000000, -0.0003261500000000 ] - [ -0.0038242900000000, -0.0016588000000000, -0.0038277700000000 ] - [ 0.0014690100000000, -0.0013924000000000, -0.0001459000000000 ] - [ 0.0025826600000000, -0.0021229300000000, -0.0008107400000000 ] - [ 0.0025829500000000, -0.0025615600000000, -0.0005805900000000 ] - [ 0.0008339400000000, 0.0003262300000000, 0.0066249800000000 ] - [ 0.0015143700000000, 0.0005741100000000, 0.0048317500000000 ] - [ -0.0005891400000000, -0.0031787100000000, -0.0021340800000000 ] - [ -0.0000353300000000, -0.0021336100000000, -0.0017384100000000 ] - [ -0.0001292100000000, 0.0005456700000000, 0.0049032000000000 ] - [ 0.0000355300000000, -0.0001488600000000, 0.0049114500000000 ] - [ -0.0088567500000000, 0.0006346300000000, 0.0023188000000000 ] - [ -0.0000681300000000, 0.0021496700000000, -0.0026737500000000 ] - [ -0.0029395200000000, -0.0009711900000000, -0.0001975200000000 ] - [ -0.0029140900000000, -0.0006673500000000, -0.0001123800000000 ] - [ 0.0000943400000000, 0.0024044700000000, -0.0006036900000000 ] - [ 0.0004543500000000, 0.0029278300000000, -0.0003563900000000 ]- atom: 23 displacement: [ -0.0050000000092203, 0.0086602540325210, 0.0000000000000000 ] forces: - [ 0.0021204700000000, -0.0034782500000000, 0.0020390700000000 ] - [ 0.0021042200000000, -0.0016099700000000, 0.0016476500000000 ] - [ -0.0003690200000000, -0.0061889100000000, 0.0003856100000000 ] - [ 0.0003145500000000, -0.0045296700000000, 0.0013933600000000 ] - [ 0.0022398500000000, 0.0042961400000000, 0.0024284300000000 ] - [ 0.0005413600000000, 0.0031455500000000, 0.0015100200000000 ] - [ -0.0108419000000000, 0.0064572500000000, 0.0093269200000000 ] - [ 0.0031400700000000, 0.0022293200000000, 0.0013219600000000 ] - [ -0.0023622700000000, 0.0052323600000000, 0.0024582800000000 ] - [ -0.0038156800000000, 0.0023758400000000, 0.0010736900000000 ] - [ -0.0064110400000000, 0.0025284500000000, 0.0068640100000000 ] - [ -0.0026909900000000, -0.0016226500000000, 0.0020996700000000 ] - [ 0.0001293300000000, -0.0002337500000000, -0.0007627400000000 ] - [ 0.0001011200000000, 0.0000431800000000, -0.0008180100000000 ] - [ -0.0001593800000000, 0.0003619600000000, -0.0009979500000000 ] - [ 0.0000760800000000, 0.0000382000000000, -0.0008092300000000 ] - [ 0.0005380000000000, -0.0009092900000000, -0.0023467700000000 ] - [ 0.0003698100000000, -0.0010905700000000, -0.0020131900000000 ] - [ -0.0135511300000000, 0.0656295000000000, -0.0238220800000000 ] - [ -0.0000904700000000, 0.0011219200000000, -0.0033358800000000 ] - [ -0.0060286000000000, 0.0042367200000000, -0.0047996600000000 ] - [ -0.0018515100000000, 0.0011481200000000, -0.0013245800000000 ] - [ 0.0425744400000000, -0.0968148800000000, 0.0096912400000000 ] - [ -0.0021355600000000, 0.0015430200000000, -0.0004467700000000 ] - [ 0.0007866500000000, 0.0011614000000000, -0.0020267100000000 ] - [ 0.0015763400000000, 0.0009031500000000, -0.0015195600000000 ] - [ -0.0039748700000000, 0.0091442500000000, -0.0006300900000000 ] - [ 0.0022964300000000, 0.0010470500000000, -0.0002777700000000 ] - [ -0.0043115000000000, -0.0003059600000000, -0.0020616700000000 ] - [ -0.0019371000000000, -0.0007111300000000, -0.0020489300000000 ] - [ 0.0026577400000000, 0.0031001700000000, -0.0022021100000000 ] - [ -0.0000614400000000, -0.0026168600000000, -0.0003245800000000 ] - [ -0.0001481800000000, -0.0017999100000000, -0.0025552000000000 ] - [ 0.0015160300000000, -0.0011924900000000, -0.0007825600000000 ] - [ 0.0030123400000000, -0.0000589600000000, -0.0031393200000000 ] - [ 0.0026486500000000, -0.0002811300000000, 0.0007497600000000 ] - [ 0.0004323700000000, 0.0003958600000000, 0.0089515900000000 ] - [ 0.0004252400000000, 0.0013657700000000, 0.0034923500000000 ] - [ -0.0004693900000000, -0.0015946800000000, -0.0016554800000000 ] - [ -0.0000390100000000, -0.0020946900000000, -0.0018437600000000 ] - [ -0.0000343400000000, 0.0019759700000000, 0.0049708700000000 ] - [ -0.0000822800000000, 0.0004333100000000, 0.0052640500000000 ] - [ -0.0033942800000000, 0.0000885100000000, -0.0001072300000000 ] - [ 0.0000296700000000, 0.0018966400000000, -0.0020688000000000 ] - [ -0.0031158300000000, -0.0008268300000000, -0.0000596900000000 ] - [ -0.0028879700000000, -0.0002235700000000, -0.0000553000000000 ] - [ 0.0004653800000000, 0.0030712600000000, -0.0004201000000000 ] - [ 0.0006676200000000, 0.0032132600000000, -0.0004127800000000 ]- atom: 23 displacement: [ 0.0050000000092203, -0.0086602540325210, 0.0000000000000000 ] forces: - [ 0.0035714200000000, 0.0000344200000000, 0.0011346100000000 ] - [ 0.0035910800000000, -0.0018366200000000, 0.0015279100000000 ] - [ 0.0002468100000000, -0.0004690100000000, 0.0028045600000000 ] - [ -0.0004485300000000, -0.0021383600000000, 0.0017827400000000 ] - [ -0.0021154900000000, 0.0023461100000000, 0.0007526400000000 ] - [ -0.0004054600000000, 0.0035110500000000, 0.0016653800000000 ] - [ 0.0169015600000000, -0.0031954200000000, -0.0062581300000000 ] - [ 0.0026937800000000, 0.0009850500000000, 0.0018550700000000 ] - [ -0.0033343600000000, -0.0017415200000000, 0.0007676400000000 ] - [ -0.0018843600000000, 0.0010727800000000, 0.0021011800000000 ] - [ 0.0002686300000000, -0.0054061600000000, -0.0034214100000000 ] - [ -0.0031426200000000, -0.0015845100000000, 0.0010797700000000 ] - [ -0.0001549300000000, 0.0002439900000000, -0.0008625400000000 ] - [ -0.0001249400000000, -0.0000344500000000, -0.0007993500000000 ] - [ 0.0001813100000000, -0.0003665100000000, -0.0006183800000000 ] - [ -0.0000508600000000, -0.0000449500000000, -0.0008080700000000 ] - [ -0.0005397800000000, 0.0009065400000000, -0.0020632800000000 ] - [ -0.0003772500000000, 0.0010988400000000, -0.0024163100000000 ] - [ 0.0138151700000000, -0.0684377500000000, 0.0207551200000000 ] - [ 0.0000874100000000, -0.0011152200000000, -0.0011105100000000 ] - [ 0.0026299700000000, -0.0020043300000000, 0.0010213900000000 ] - [ -0.0014871800000000, 0.0010470400000000, -0.0023933400000000 ] - [ -0.0473651400000000, 0.1031236300000000, -0.0120471500000000 ] - [ -0.0024697400000000, 0.0022452300000000, -0.0004045700000000 ] - [ 0.0027700400000000, 0.0006338400000000, -0.0017165200000000 ] - [ 0.0019895200000000, 0.0008866600000000, -0.0022043500000000 ] - [ 0.0097017200000000, -0.0072103300000000, -0.0002132900000000 ] - [ 0.0032871700000000, 0.0010467200000000, -0.0005734900000000 ] - [ 0.0007212600000000, -0.0014774700000000, -0.0016667000000000 ] - [ -0.0016298700000000, -0.0010720500000000, -0.0016814000000000 ] - [ -0.0036732800000000, -0.0090361000000000, 0.0013680000000000 ] - [ -0.0009161500000000, -0.0032674700000000, -0.0005253100000000 ] - [ 0.0034904100000000, -0.0003935000000000, -0.0011764300000000 ] - [ 0.0018177000000000, -0.0010106500000000, -0.0029381700000000 ] - [ 0.0016017700000000, -0.0037220100000000, 0.0022517500000000 ] - [ 0.0019667800000000, -0.0035232000000000, -0.0016033800000000 ] - [ -0.0004348800000000, -0.0003850400000000, 0.0012908800000000 ] - [ -0.0004355200000000, -0.0013705800000000, 0.0067689700000000 ] - [ 0.0002235500000000, -0.0023896300000000, -0.0020700000000000 ] - [ -0.0001993000000000, -0.0018923000000000, -0.0018799800000000 ] - [ 0.0000437200000000, -0.0019487600000000, 0.0052734000000000 ] - [ 0.0000828300000000, -0.0004351000000000, 0.0049841300000000 ] - [ 0.0036306700000000, 0.0038805400000000, -0.0036167100000000 ] - [ 0.0002115600000000, 0.0020829100000000, -0.0016497800000000 ] - [ -0.0024690000000000, -0.0012660800000000, -0.0007973400000000 ] - [ -0.0026933300000000, -0.0018601400000000, -0.0007936700000000 ] - [ 0.0005144000000000, 0.0028187400000000, -0.0004340500000000 ] - [ 0.0003117500000000, 0.0026711600000000, -0.0004415600000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034951500000000, -0.0019687800000000, 0.0020680900000000 ] - [ 0.0026552900000000, -0.0015870200000000, 0.0012052700000000 ] - [ -0.0002061300000000, -0.0039422000000000, 0.0019443100000000 ] - [ -0.0005967600000000, -0.0014434200000000, 0.0010029900000000 ] - [ 0.0004004900000000, 0.0042890800000000, 0.0027049700000000 ] - [ -0.0000188500000000, 0.0028637100000000, 0.0009934100000000 ] - [ -0.0090367900000000, 0.0030755300000000, 0.0115176600000000 ] - [ 0.0022931400000000, 0.0010214900000000, 0.0008794100000000 ] - [ 0.0028738500000000, 0.0060869000000000, 0.0086750500000000 ] - [ -0.0022254700000000, 0.0014233500000000, 0.0006879400000000 ] - [ -0.0065996100000000, 0.0008164500000000, 0.0065526900000000 ] - [ -0.0027554100000000, -0.0015307100000000, 0.0012493700000000 ] - [ -0.0001319300000000, -0.0005430200000000, -0.0005201100000000 ] - [ 0.0000098100000000, 0.0000482300000000, -0.0008433700000000 ] - [ -0.0002356500000000, -0.0000368600000000, -0.0006810100000000 ] - [ 0.0000391600000000, -0.0000782300000000, -0.0009223500000000 ] - [ -0.0001218700000000, -0.0002247100000000, -0.0021101000000000 ] - [ 0.0007763400000000, -0.0007324000000000, -0.0020283400000000 ] - [ 0.0020647700000000, -0.0242102700000000, 0.0164628100000000 ] - [ -0.0002000300000000, 0.0013795200000000, -0.0048006200000000 ] - [ -0.0001164300000000, -0.0003179100000000, -0.0016459700000000 ] - [ -0.0015594800000000, 0.0008458000000000, -0.0017541000000000 ] - [ 0.0076518600000000, 0.0204328300000000, -0.0550807600000000 ] - [ -0.0022946500000000, 0.0018763900000000, -0.0000957600000000 ] - [ 0.0019727600000000, 0.0015183400000000, -0.0027367400000000 ] - [ 0.0016296100000000, 0.0007879500000000, -0.0015252400000000 ] - [ 0.0010061000000000, 0.0025851200000000, -0.0017184800000000 ] - [ 0.0028970000000000, 0.0011112500000000, 0.0009650300000000 ] - [ -0.0026094700000000, -0.0005391200000000, -0.0021677700000000 ] - [ -0.0018126400000000, -0.0008173900000000, -0.0015353400000000 ] - [ 0.0000685500000000, -0.0030316800000000, -0.0017213300000000 ] - [ -0.0004048300000000, -0.0031632700000000, 0.0009642900000000 ] - [ 0.0036527700000000, -0.0006202200000000, -0.0020592200000000 ] - [ 0.0016157500000000, -0.0012753800000000, -0.0010624100000000 ] - [ 0.0021579000000000, -0.0033329400000000, 0.0014754100000000 ] - [ 0.0019249200000000, 0.0010190300000000, 0.0015104800000000 ] - [ -0.0002777200000000, 0.0021632300000000, 0.0110166500000000 ] - [ 0.0010703100000000, -0.0069681300000000, 0.0099533700000000 ] - [ -0.0002547300000000, -0.0027052800000000, -0.0020024700000000 ] - [ -0.0002759900000000, -0.0021021500000000, -0.0017027500000000 ] - [ 0.0000387700000000, -0.0006930200000000, 0.0047966400000000 ] - [ -0.0001386100000000, 0.0005151400000000, 0.0057128000000000 ] - [ -0.0042246500000000, 0.0014476100000000, -0.0010813200000000 ] - [ 0.0002422200000000, 0.0018971200000000, -0.0013388600000000 ] - [ -0.0028077600000000, -0.0011244900000000, -0.0003408200000000 ] - [ -0.0028013900000000, -0.0008447500000000, -0.0002600900000000 ] - [ 0.0005438000000000, 0.0033362600000000, -0.0002609800000000 ] - [ 0.0006265400000000, 0.0032930300000000, -0.0003422800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0022107900000000, -0.0014822100000000, 0.0011095700000000 ] - [ 0.0030579600000000, -0.0018583700000000, 0.0019685700000000 ] - [ 0.0000661100000000, -0.0027268000000000, 0.0012317500000000 ] - [ 0.0004566600000000, -0.0052134900000000, 0.0021812200000000 ] - [ -0.0002604100000000, 0.0023808600000000, 0.0004742700000000 ] - [ 0.0001554200000000, 0.0038001800000000, 0.0021876600000000 ] - [ 0.0151619300000000, 0.0001246100000000, -0.0084315800000000 ] - [ 0.0035488500000000, 0.0021848500000000, 0.0023005900000000 ] - [ -0.0087613100000000, -0.0027315900000000, -0.0055626100000000 ] - [ -0.0034792200000000, 0.0020209800000000, 0.0024914200000000 ] - [ 0.0006936900000000, -0.0039708400000000, -0.0033949800000000 ] - [ -0.0030942100000000, -0.0016790900000000, 0.0019260700000000 ] - [ 0.0001071100000000, 0.0005484700000000, -0.0011014600000000 ] - [ -0.0000337400000000, -0.0000403000000000, -0.0007759400000000 ] - [ 0.0002639300000000, 0.0000281100000000, -0.0009463200000000 ] - [ -0.0000148000000000, 0.0000694600000000, -0.0006971100000000 ] - [ 0.0001195300000000, 0.0002426500000000, -0.0022984500000000 ] - [ -0.0007654800000000, 0.0007440800000000, -0.0023890300000000 ] - [ -0.0020445000000000, 0.0238392200000000, -0.0210166900000000 ] - [ 0.0002040700000000, -0.0013999400000000, 0.0003745600000000 ] - [ -0.0032578400000000, 0.0025224600000000, -0.0020878800000000 ] - [ -0.0017880900000000, 0.0013449100000000, -0.0019714800000000 ] - [ -0.0122973800000000, -0.0161671100000000, 0.0545138800000000 ] - [ -0.0023114500000000, 0.0019142400000000, -0.0007574300000000 ] - [ 0.0015960900000000, 0.0002773100000000, -0.0009874200000000 ] - [ 0.0019396200000000, 0.0010139600000000, -0.0022007300000000 ] - [ 0.0045748200000000, -0.0004789900000000, 0.0008643100000000 ] - [ 0.0026953000000000, 0.0009847100000000, -0.0018230300000000 ] - [ -0.0009528700000000, -0.0012633800000000, -0.0015550800000000 ] - [ -0.0017569200000000, -0.0009803000000000, -0.0021936700000000 ] - [ -0.0010503800000000, -0.0028658200000000, 0.0008616100000000 ] - [ -0.0005784200000000, -0.0027202300000000, -0.0018239100000000 ] - [ -0.0002964800000000, -0.0015686400000000, -0.0016611000000000 ] - [ 0.0017298600000000, -0.0009185000000000, -0.0026525700000000 ] - [ 0.0024504500000000, -0.0004443100000000, -0.0023659700000000 ] - [ 0.0026809600000000, -0.0047683500000000, -0.0023308100000000 ] - [ 0.0002866500000000, -0.0022139400000000, -0.0008415000000000 ] - [ -0.0010566900000000, 0.0068910000000000, 0.0003725000000000 ] - [ 0.0000215500000000, -0.0012838400000000, -0.0017230100000000 ] - [ 0.0000452400000000, -0.0018919800000000, -0.0020213400000000 ] - [ -0.0000402000000000, 0.0006987700000000, 0.0054474500000000 ] - [ 0.0001363900000000, -0.0005139100000000, 0.0045447000000000 ] - [ 0.0044229200000000, 0.0025440400000000, -0.0026442600000000 ] - [ -0.0000097700000000, 0.0020921100000000, -0.0023799900000000 ] - [ -0.0027770300000000, -0.0009729700000000, -0.0005111000000000 ] - [ -0.0027859500000000, -0.0012547200000000, -0.0005950700000000 ] - [ 0.0004344400000000, 0.0025448100000000, -0.0005959100000000 ] - [ 0.0003528100000000, 0.0025978200000000, -0.0005126900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0030381900000000, -0.0020001200000000, 0.0013296600000000 ] - [ 0.0028371100000000, -0.0032060200000000, 0.0017765800000000 ] - [ 0.0011603900000000, -0.0055876400000000, 0.0018368700000000 ] - [ 0.0018022300000000, -0.0027988500000000, 0.0016739800000000 ] - [ -0.0001711800000000, 0.0032804500000000, 0.0017670800000000 ] - [ -0.0018632200000000, 0.0033044700000000, 0.0013608300000000 ] - [ 0.0102723800000000, 0.0068747000000000, 0.0045958800000000 ] - [ 0.0032484100000000, 0.0002693000000000, 0.0021514400000000 ] - [ 0.0076280700000000, -0.0019690600000000, -0.0014809500000000 ] - [ -0.0033811800000000, 0.0026624500000000, 0.0009341100000000 ] - [ -0.0027521100000000, -0.0014053900000000, 0.0016642400000000 ] - [ -0.0026311700000000, -0.0006908900000000, 0.0016471000000000 ] - [ -0.0001161300000000, 0.0000610600000000, -0.0008105000000000 ] - [ -0.0006278400000000, 0.0002667900000000, -0.0008113900000000 ] - [ 0.0003983300000000, -0.0002250300000000, -0.0008072900000000 ] - [ 0.0000481200000000, -0.0000930300000000, -0.0008088700000000 ] - [ -0.0011924800000000, -0.0009187700000000, -0.0022218000000000 ] - [ -0.0004822600000000, 0.0000060800000000, -0.0022104400000000 ] - [ -0.0003431700000000, 0.0001628800000000, -0.0022248400000000 ] - [ 0.0092465400000000, 0.0001082400000000, -0.0020318600000000 ] - [ -0.0014975200000000, 0.0003780800000000, -0.0018692100000000 ] - [ -0.0017345600000000, 0.0009859600000000, -0.0018530300000000 ] - [ -0.0031478400000000, 0.0019317000000000, -0.0006820000000000 ] - [ -0.0038216100000000, 0.0015140200000000, 0.0006370800000000 ] - [ 0.0039567900000000, 0.0007247100000000, -0.0015507000000000 ] - [ 0.0023289700000000, 0.0010475700000000, -0.0019226800000000 ] - [ 0.0029104500000000, 0.0008212300000000, 0.0016020300000000 ] - [ 0.0037625700000000, 0.0001545200000000, -0.0069666500000000 ] - [ -0.0017020000000000, -0.0009312600000000, -0.0016872800000000 ] - [ -0.0017353200000000, -0.0008961600000000, -0.0018899300000000 ] - [ -0.0006357100000000, -0.0022209000000000, -0.0021773400000000 ] - [ -0.0003254200000000, -0.0014285200000000, 0.0050336100000000 ] - [ 0.0017681600000000, -0.0011738900000000, -0.0013347300000000 ] - [ 0.0031513700000000, -0.0001627300000000, -0.0026337400000000 ] - [ 0.0024376000000000, -0.0018694400000000, -0.0004680500000000 ] - [ 0.0022677100000000, -0.0020086600000000, -0.0002889700000000 ] - [ -0.0359143300000000, -0.0002884100000000, 0.0047546300000000 ] - [ -0.0001770100000000, -0.0000024100000000, 0.0051237300000000 ] - [ 0.0005898200000000, -0.0007175200000000, -0.0021714500000000 ] - [ -0.0000906800000000, -0.0014530200000000, -0.0018114500000000 ] - [ 0.0002015400000000, 0.0000548000000000, 0.0051239500000000 ] - [ 0.0002006600000000, -0.0000522700000000, 0.0051243500000000 ] - [ 0.0001602600000000, 0.0019355800000000, -0.0025549200000000 ] - [ 0.0016795200000000, 0.0012258300000000, -0.0010759100000000 ] - [ -0.0010661800000000, -0.0014322900000000, 0.0002013300000000 ] - [ -0.0023791000000000, -0.0014517500000000, -0.0009395100000000 ] - [ 0.0017575100000000, 0.0041390600000000, -0.0010045500000000 ] - [ 0.0009353200000000, 0.0030745400000000, -0.0000484200000000 ]- atom: 37 displacement: [ -0.0100000000000000, -0.0000000000094903, 0.0000000000000000 ] forces: - [ 0.0026631000000000, -0.0014520700000000, 0.0018446700000000 ] - [ 0.0028590000000000, -0.0002472000000000, 0.0014107100000000 ] - [ -0.0013221000000000, -0.0010284600000000, 0.0013287500000000 ] - [ -0.0019417600000000, -0.0038733200000000, 0.0014968500000000 ] - [ 0.0003161100000000, 0.0033913800000000, 0.0014071700000000 ] - [ 0.0020063600000000, 0.0033572100000000, 0.0018317000000000 ] - [ -0.0042793900000000, -0.0034344200000000, -0.0012713700000000 ] - [ 0.0025916600000000, 0.0029529000000000, 0.0010232600000000 ] - [ -0.0137662000000000, 0.0056103200000000, 0.0048963600000000 ] - [ -0.0023248200000000, 0.0007920400000000, 0.0022396400000000 ] - [ -0.0030729000000000, -0.0018217200000000, 0.0015093500000000 ] - [ -0.0032005700000000, -0.0025163200000000, 0.0015428900000000 ] - [ 0.0000923400000000, -0.0000559700000000, -0.0008109700000000 ] - [ 0.0006024300000000, -0.0002613700000000, -0.0008107700000000 ] - [ -0.0003760300000000, 0.0002184700000000, -0.0008100500000000 ] - [ -0.0000242500000000, 0.0000855900000000, -0.0008088800000000 ] - [ 0.0011866000000000, 0.0009168000000000, -0.0022216700000000 ] - [ 0.0004868600000000, -0.0000122300000000, -0.0022102600000000 ] - [ 0.0003279100000000, -0.0001355100000000, -0.0022246900000000 ] - [ -0.0093010200000000, -0.0000267600000000, -0.0020318000000000 ] - [ -0.0018618200000000, 0.0018273000000000, -0.0018576100000000 ] - [ -0.0016166200000000, 0.0012049300000000, -0.0018714600000000 ] - [ -0.0014780100000000, 0.0018941600000000, -0.0001175500000000 ] - [ -0.0007764000000000, 0.0022779500000000, -0.0014895900000000 ] - [ -0.0003886900000000, 0.0010766300000000, -0.0021762500000000 ] - [ 0.0012355500000000, 0.0007540600000000, -0.0018011100000000 ] - [ 0.0026674400000000, 0.0012717500000000, -0.0024704700000000 ] - [ 0.0018239000000000, 0.0019230000000000, 0.0060984500000000 ] - [ -0.0018704900000000, -0.0008705000000000, -0.0020374200000000 ] - [ -0.0018336700000000, -0.0008894500000000, -0.0018377900000000 ] - [ -0.0003460300000000, -0.0036700600000000, 0.0013310300000000 ] - [ -0.0006431800000000, -0.0044777500000000, -0.0059046900000000 ] - [ 0.0015852600000000, -0.0010195800000000, -0.0023830000000000 ] - [ 0.0002030600000000, -0.0020179300000000, -0.0011047900000000 ] - [ 0.0021730600000000, -0.0019318700000000, -0.0003892900000000 ] - [ 0.0023367200000000, -0.0017783600000000, -0.0005640300000000 ] - [ 0.0363005000000000, -0.0002883700000000, 0.0047529200000000 ] - [ 0.0001792400000000, -0.0000023900000000, 0.0051244200000000 ] - [ -0.0008092000000000, -0.0032693600000000, -0.0015577700000000 ] - [ -0.0001335900000000, -0.0025404000000000, -0.0019150000000000 ] - [ -0.0002015800000000, -0.0000529500000000, 0.0051245500000000 ] - [ -0.0002026200000000, 0.0000555300000000, 0.0051248900000000 ] - [ 0.0000622300000000, 0.0020586800000000, -0.0011572700000000 ] - [ -0.0014589600000000, 0.0027721600000000, -0.0026567600000000 ] - [ -0.0045041400000000, -0.0006790600000000, -0.0010437300000000 ] - [ -0.0032135000000000, -0.0006368800000000, 0.0000889600000000 ] - [ -0.0007991900000000, 0.0017354300000000, 0.0001615400000000 ] - [ 0.0000474100000000, 0.0028139500000000, -0.0008020600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034169000000000, -0.0012187500000000, 0.0006048900000000 ] - [ 0.0023565600000000, -0.0021357900000000, 0.0028449100000000 ] - [ -0.0009499700000000, -0.0053645600000000, 0.0058582500000000 ] - [ -0.0001059900000000, -0.0047445900000000, 0.0005622600000000 ] - [ -0.0006529800000000, 0.0035685000000000, 0.0006048900000000 ] - [ 0.0006713700000000, 0.0031087300000000, 0.0028449100000000 ] - [ 0.0051208300000000, 0.0018595800000000, 0.0058582500000000 ] - [ 0.0041619300000000, 0.0022805000000000, 0.0005622600000000 ] - [ -0.0041708600000000, 0.0035049700000000, 0.0058582500000000 ] - [ -0.0040559400000000, 0.0024640900000000, 0.0005622600000000 ] - [ -0.0027639200000000, -0.0023497400000000, 0.0006048900000000 ] - [ -0.0030279300000000, -0.0009729400000000, 0.0028449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008690500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024831800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0947112100000000 ] - [ -0.0008675500000000, 0.0004750900000000, -0.0022363600000000 ] - [ -0.0014824400000000, 0.0008714500000000, -0.0016724000000000 ] - [ -0.0038045400000000, 0.0054943200000000, 0.0055355600000000 ] - [ -0.0020296300000000, 0.0002051500000000, 0.0043010600000000 ] - [ 0.0008452100000000, 0.0005137800000000, -0.0022363600000000 ] - [ 0.0014959100000000, 0.0008481100000000, -0.0016724000000000 ] - [ 0.0066604900000000, 0.0005476700000000, 0.0055355600000000 ] - [ 0.0011924800000000, 0.0016551400000000, 0.0043010600000000 ] - [ -0.0019117200000000, -0.0007362500000000, -0.0011558900000000 ] - [ -0.0017863300000000, -0.0000266700000000, -0.0027682600000000 ] - [ -0.0028559500000000, -0.0060419900000000, 0.0055355600000000 ] - [ 0.0008371500000000, -0.0018602900000000, 0.0043010600000000 ] - [ 0.0015934700000000, -0.0012874800000000, -0.0011558900000000 ] - [ 0.0009162700000000, -0.0015336700000000, -0.0027682600000000 ] - [ 0.0020826100000000, -0.0018506100000000, -0.0007561300000000 ] - [ 0.0020935300000000, -0.0021761500000000, 0.0001516000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1346657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057881100000000 ] - [ 0.0000223400000000, -0.0009888600000000, -0.0022363600000000 ] - [ -0.0000134800000000, -0.0017195500000000, -0.0016724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052809300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052846900000000 ] - [ 0.0003182500000000, 0.0020237300000000, -0.0011558900000000 ] - [ 0.0008700600000000, 0.0015603500000000, -0.0027682600000000 ] - [ -0.0026439800000000, -0.0008782900000000, -0.0007561300000000 ] - [ -0.0029313700000000, -0.0007249800000000, 0.0001516000000000 ] - [ 0.0005613700000000, 0.0027289000000000, -0.0007561300000000 ] - [ 0.0008378400000000, 0.0029011300000000, 0.0001516000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0022752200000000, -0.0022263700000000, 0.0025875400000000 ] - [ 0.0033464500000000, -0.0013060100000000, 0.0003128700000000 ] - [ 0.0008205500000000, -0.0014162500000000, -0.0026466400000000 ] - [ -0.0000284700000000, -0.0018888900000000, 0.0026359500000000 ] - [ 0.0007904900000000, 0.0030835900000000, 0.0025875400000000 ] - [ -0.0005421900000000, 0.0035511100000000, 0.0003128700000000 ] - [ 0.0008162300000000, 0.0014187400000000, -0.0026466400000000 ] - [ 0.0016500600000000, 0.0009197900000000, 0.0026359500000000 ] - [ -0.0016367800000000, -0.0000024900000000, -0.0026466400000000 ] - [ -0.0016215900000000, 0.0009691000000000, 0.0026359500000000 ] - [ -0.0030657100000000, -0.0008572100000000, 0.0025875400000000 ] - [ -0.0028042600000000, -0.0022451000000000, 0.0003128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007527800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1039464300000000 ] - [ -0.0024759800000000, 0.0017133300000000, -0.0014851400000000 ] - [ -0.0018598500000000, 0.0013269100000000, -0.0020552200000000 ] - [ -0.0008247000000000, -0.0016341800000000, -0.0063230200000000 ] - [ -0.0025910900000000, 0.0036621400000000, -0.0052816000000000 ] - [ 0.0027217700000000, 0.0012875900000000, -0.0014851400000000 ] - [ 0.0020790700000000, 0.0009472200000000, -0.0020552200000000 ] - [ -0.0010029000000000, 0.0015313000000000, -0.0063230200000000 ] - [ 0.0044670500000000, 0.0004128700000000, -0.0052816000000000 ] - [ -0.0016597600000000, -0.0010526100000000, -0.0025846500000000 ] - [ -0.0017864800000000, -0.0017753000000000, -0.0009453500000000 ] - [ 0.0018275900000000, 0.0001028800000000, -0.0063230200000000 ] - [ -0.0018759700000000, -0.0040750200000000, -0.0052816000000000 ] - [ 0.0017414700000000, -0.0009110900000000, -0.0025846500000000 ] - [ 0.0024307000000000, -0.0006594900000000, -0.0009453500000000 ] - [ 0.0025241700000000, -0.0019427400000000, -0.0001065300000000 ] - [ 0.0025149500000000, -0.0016082400000000, -0.0010171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1497615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044368300000000 ] - [ -0.0002458000000000, -0.0030009200000000, -0.0014851400000000 ] - [ -0.0002192200000000, -0.0022741400000000, -0.0020552200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049649200000000 ] - [ -0.0000817100000000, 0.0019637000000000, -0.0025846500000000 ] - [ -0.0006442200000000, 0.0024347900000000, -0.0009453500000000 ] - [ -0.0029445500000000, -0.0012146300000000, -0.0001065300000000 ] - [ -0.0026502500000000, -0.0013738900000000, -0.0010171900000000 ] - [ 0.0004203800000000, 0.0031573700000000, -0.0001065300000000 ] - [ 0.0001353000000000, 0.0029821300000000, -0.0010171900000000 ]