# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ecf1f1be-408b-4067-a8bd-a079462a02a1/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 Cu2P7 / C2/m (12) / materials id 28034](https://mdr.nims.go.jp/datasets/71a252e1-b5e4-4d69-9be3-ebcf117f8162) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.259129070000000, -3.599699715000000, 0.017047340000000 ] # a - [ 6.259129070000000, 3.599699715000000, 0.017047340000000 ] # b - [ -4.334924170000000, 0.000000000000000, 13.795174429999999 ] # c points: - symbol: P # 1 coordinates: [ 0.556523860000000, 0.039820840000000, 0.377293790000000 ] mass: 30.973762 - symbol: P # 2 coordinates: [ 0.960179160000000, 0.443476140000000, 0.622706210000000 ] mass: 30.973762 - symbol: P # 3 coordinates: [ 0.443476140000000, 0.960179160000000, 0.622706210000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.039820840000000, 0.556523860000000, 0.377293790000000 ] mass: 30.973762 - symbol: P # 5 coordinates: [ 0.557823270000000, 0.030548550000000, 0.222633550000000 ] mass: 30.973762 - symbol: P # 6 coordinates: [ 0.969451450000000, 0.442176730000000, 0.777366450000000 ] mass: 30.973762 - symbol: P # 7 coordinates: [ 0.442176730000000, 0.969451450000000, 0.777366450000000 ] mass: 30.973762 - symbol: P # 8 coordinates: [ 0.030548550000000, 0.557823270000000, 0.222633550000000 ] mass: 30.973762 - symbol: P # 9 coordinates: [ 0.222869730000000, 0.222869730000000, 0.408304400000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.777130270000000, 0.777130270000000, 0.591695600000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.103587320000000, 0.103587320000000, 0.797162020000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.896412680000000, 0.896412680000000, 0.202837980000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.345428540000000, 0.345428540000000, 0.043179440000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.654571460000000, 0.654571460000000, 0.956820560000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.471610120000000, 0.471610120000000, 0.646936110000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.528389880000000, 0.528389880000000, 0.353063890000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.829719130000000, 0.355707870000000, 0.019472830000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.644292130000000, 0.170280870000000, 0.980527170000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.170280870000000, 0.644292130000000, 0.980527170000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.355707870000000, 0.829719130000000, 0.019472830000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.234323880000000, 0.729017460000000, 0.421078790000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.270982540000000, 0.765676120000000, 0.578921210000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.765676120000000, 0.270982540000000, 0.578921210000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.729017460000000, 0.234323880000000, 0.421078790000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.774896330000000, 0.457898090000000, 0.172086200000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.542101910000000, 0.225103670000000, 0.827913800000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.225103670000000, 0.542101910000000, 0.827913800000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.457898090000000, 0.774896330000000, 0.172086200000000 ] mass: 30.973762 - symbol: Cu # 29 coordinates: [ 0.717578900000000, 0.717578900000000, 0.425904120000000 ] mass: 63.546000 - symbol: Cu # 30 coordinates: [ 0.282421100000000, 0.282421100000000, 0.574095880000000 ] mass: 63.546000 - symbol: Cu # 31 coordinates: [ 0.615577720000000, 0.615577720000000, 0.794442500000000 ] mass: 63.546000 - symbol: Cu # 32 coordinates: [ 0.384422280000000, 0.384422280000000, 0.205557500000000 ] mass: 63.546000 - symbol: Cu # 33 coordinates: [ 0.844063640000000, 0.844063640000000, 0.032980770000000 ] mass: 63.546000 - symbol: Cu # 34 coordinates: [ 0.155936360000000, 0.155936360000000, 0.967019230000000 ] mass: 63.546000 - symbol: Cu # 35 coordinates: [ 0.966266990000000, 0.966266990000000, 0.646976160000000 ] mass: 63.546000 - symbol: Cu # 36 coordinates: [ 0.033733010000000, 0.033733010000000, 0.353023840000000 ] mass: 63.546000 reciprocal_lattice: # without 2pi - [ 0.079815008759154, -0.138900474924754, 0.025080655003999 ] # a* - [ 0.079815008759154, 0.138900474924754, 0.025080655003999 ] # b* - [ -0.000197262252583, 0.000000000000000, 0.072427129367834 ] # c*unit_cell: lattice: - [ 12.518258140000000, 0.000000000000000, 0.034094680000000 ] # a - [ 0.000000000000000, 7.199399430000000, 0.000000000000000 ] # b - [ -4.334924170000000, 0.000000000000000, 13.795174429999999 ] # c points: - symbol: P # 1 coordinates: [ 0.798172350000000, 0.241648490000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.201827650000000, 0.241648490000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.201827650000000, 0.758351510000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.798172350000000, 0.758351510000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.794185910000000, 0.236362640000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.205814090000000, 0.236362640000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.205814090000000, 0.763637360000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.794185910000000, 0.763637360000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.722869730000000, 0.500000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.277130270000000, 0.500000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.103587320000000, 0.000000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.896412680000000, 0.000000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.845428540000000, 0.500000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.154571460000000, 0.500000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.971610120000000, 0.500000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.028389880000000, 0.500000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.592713500000000, 0.762994370000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.407286500000000, 0.762994370000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.407286500000000, 0.237005630000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.592713500000000, 0.237005630000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.981670670000000, 0.747346790000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.018329330000000, 0.747346790000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.018329330000000, 0.252653210000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.981670670000000, 0.252653210000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.616397210000000, 0.841500880000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.383602790000000, 0.841500880000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.383602790000000, 0.158499120000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.616397210000000, 0.158499120000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.298172350000000, 0.741648490000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 30 coordinates: [ 0.701827650000000, 0.741648490000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 31 coordinates: [ 0.701827650000000, 0.258351510000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 32 coordinates: [ 0.298172350000000, 0.258351510000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 33 coordinates: [ 0.294185910000000, 0.736362640000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 34 coordinates: [ 0.705814090000000, 0.736362640000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 35 coordinates: [ 0.705814090000000, 0.263637360000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 36 coordinates: [ 0.294185910000000, 0.263637360000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 37 coordinates: [ 0.222869730000000, 0.000000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 38 coordinates: [ 0.777130270000000, 0.000000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 39 coordinates: [ 0.603587320000000, 0.500000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 40 coordinates: [ 0.396412680000000, 0.500000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 41 coordinates: [ 0.345428540000000, 0.000000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 42 coordinates: [ 0.654571460000000, 0.000000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 43 coordinates: [ 0.471610120000000, 0.000000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 44 coordinates: [ 0.528389880000000, 0.000000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 45 coordinates: [ 0.092713500000000, 0.262994370000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 46 coordinates: [ 0.907286500000000, 0.262994370000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 47 coordinates: [ 0.907286500000000, 0.737005630000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 48 coordinates: [ 0.092713500000000, 0.737005630000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 49 coordinates: [ 0.481670670000000, 0.247346790000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 50 coordinates: [ 0.518329330000000, 0.247346790000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 51 coordinates: [ 0.518329330000000, 0.752653210000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 52 coordinates: [ 0.481670670000000, 0.752653210000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 53 coordinates: [ 0.116397210000000, 0.341500880000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 54 coordinates: [ 0.883602790000000, 0.341500880000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 55 coordinates: [ 0.883602790000000, 0.658499120000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 56 coordinates: [ 0.116397210000000, 0.658499120000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 28 - symbol: Cu # 57 coordinates: [ 0.717578900000000, 0.000000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 57 - symbol: Cu # 58 coordinates: [ 0.282421100000000, 0.000000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 58 - symbol: Cu # 59 coordinates: [ 0.115577720000000, 0.500000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 59 - symbol: Cu # 60 coordinates: [ 0.884422280000000, 0.500000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 60 - symbol: Cu # 61 coordinates: [ 0.844063640000000, 0.000000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 62 coordinates: [ 0.155936360000000, 0.000000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 62 - symbol: Cu # 63 coordinates: [ 0.966266990000000, 0.000000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 63 - symbol: Cu # 64 coordinates: [ 0.033733010000000, 0.000000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 64 - symbol: Cu # 65 coordinates: [ 0.217578900000000, 0.500000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 57 - symbol: Cu # 66 coordinates: [ 0.782421100000000, 0.500000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 58 - symbol: Cu # 67 coordinates: [ 0.615577720000000, 0.000000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 59 - symbol: Cu # 68 coordinates: [ 0.384422280000000, 0.000000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 60 - symbol: Cu # 69 coordinates: [ 0.344063640000000, 0.500000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 70 coordinates: [ 0.655936360000000, 0.500000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 62 - symbol: Cu # 71 coordinates: [ 0.466266990000000, 0.500000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 63 - symbol: Cu # 72 coordinates: [ 0.533733010000000, 0.500000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 64supercell: lattice: - [ 12.518258140000000, 0.000000000000000, 0.034094680000000 ] # a - [ 0.000000000000000, 14.398798859999999, 0.000000000000000 ] # b - [ -4.334924170000000, 0.000000000000000, 13.795174429999999 ] # c points: - symbol: P # 1 coordinates: [ 0.798172350000000, 0.120824245000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.798172350000000, 0.620824245000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 3 coordinates: [ 0.201827650000000, 0.120824245000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.201827650000000, 0.620824245000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 5 coordinates: [ 0.201827650000000, 0.379175755000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.201827650000000, 0.879175755000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 7 coordinates: [ 0.798172350000000, 0.379175755000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.798172350000000, 0.879175755000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 9 coordinates: [ 0.794185910000000, 0.118181320000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.794185910000000, 0.618181320000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 11 coordinates: [ 0.205814090000000, 0.118181320000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.205814090000000, 0.618181320000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 13 coordinates: [ 0.205814090000000, 0.381818680000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.205814090000000, 0.881818680000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 15 coordinates: [ 0.794185910000000, 0.381818680000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.794185910000000, 0.881818680000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 17 coordinates: [ 0.722869730000000, 0.250000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.722869730000000, 0.750000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 19 coordinates: [ 0.277130270000000, 0.250000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.277130270000000, 0.750000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 21 coordinates: [ 0.103587320000000, 0.000000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.103587320000000, 0.500000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 23 coordinates: [ 0.896412680000000, 0.000000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.896412680000000, 0.500000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 25 coordinates: [ 0.845428540000000, 0.250000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.845428540000000, 0.750000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.154571460000000, 0.250000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.154571460000000, 0.750000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 29 coordinates: [ 0.971610120000000, 0.250000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.971610120000000, 0.750000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.028389880000000, 0.250000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.028389880000000, 0.750000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.592713500000000, 0.381497185000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.592713500000000, 0.881497185000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.407286500000000, 0.381497185000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.407286500000000, 0.881497185000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.407286500000000, 0.118502815000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.407286500000000, 0.618502815000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.592713500000000, 0.118502815000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.592713500000000, 0.618502815000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 41 coordinates: [ 0.981670670000000, 0.373673395000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.981670670000000, 0.873673395000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 43 coordinates: [ 0.018329330000000, 0.373673395000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.018329330000000, 0.873673395000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 45 coordinates: [ 0.018329330000000, 0.126326605000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.018329330000000, 0.626326605000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 47 coordinates: [ 0.981670670000000, 0.126326605000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.981670670000000, 0.626326605000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 49 coordinates: [ 0.616397210000000, 0.420750440000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.616397210000000, 0.920750440000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 51 coordinates: [ 0.383602790000000, 0.420750440000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.383602790000000, 0.920750440000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 53 coordinates: [ 0.383602790000000, 0.079249560000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.383602790000000, 0.579249560000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 55 coordinates: [ 0.616397210000000, 0.079249560000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.616397210000000, 0.579249560000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 57 coordinates: [ 0.298172350000000, 0.370824245000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 58 coordinates: [ 0.298172350000000, 0.870824245000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 59 coordinates: [ 0.701827650000000, 0.370824245000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 60 coordinates: [ 0.701827650000000, 0.870824245000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 61 coordinates: [ 0.701827650000000, 0.129175755000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 62 coordinates: [ 0.701827650000000, 0.629175755000000, 0.622706210000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 63 coordinates: [ 0.298172350000000, 0.129175755000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 64 coordinates: [ 0.298172350000000, 0.629175755000000, 0.377293790000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 65 coordinates: [ 0.294185910000000, 0.368181320000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 66 coordinates: [ 0.294185910000000, 0.868181320000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 67 coordinates: [ 0.705814090000000, 0.368181320000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 68 coordinates: [ 0.705814090000000, 0.868181320000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 69 coordinates: [ 0.705814090000000, 0.131818680000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 70 coordinates: [ 0.705814090000000, 0.631818680000000, 0.777366450000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 71 coordinates: [ 0.294185910000000, 0.131818680000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 72 coordinates: [ 0.294185910000000, 0.631818680000000, 0.222633550000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 73 coordinates: [ 0.222869730000000, 0.000000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 74 coordinates: [ 0.222869730000000, 0.500000000000000, 0.408304400000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 75 coordinates: [ 0.777130270000000, 0.000000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 76 coordinates: [ 0.777130270000000, 0.500000000000000, 0.591695600000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 77 coordinates: [ 0.603587320000000, 0.250000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 78 coordinates: [ 0.603587320000000, 0.750000000000000, 0.797162020000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 79 coordinates: [ 0.396412680000000, 0.250000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 80 coordinates: [ 0.396412680000000, 0.750000000000000, 0.202837980000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 81 coordinates: [ 0.345428540000000, 0.000000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 82 coordinates: [ 0.345428540000000, 0.500000000000000, 0.043179440000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 83 coordinates: [ 0.654571460000000, 0.000000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 84 coordinates: [ 0.654571460000000, 0.500000000000000, 0.956820560000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 85 coordinates: [ 0.471610120000000, 0.000000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 86 coordinates: [ 0.471610120000000, 0.500000000000000, 0.646936110000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 87 coordinates: [ 0.528389880000000, 0.000000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 88 coordinates: [ 0.528389880000000, 0.500000000000000, 0.353063890000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 89 coordinates: [ 0.092713500000000, 0.131497185000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 90 coordinates: [ 0.092713500000000, 0.631497185000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 91 coordinates: [ 0.907286500000000, 0.131497185000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 92 coordinates: [ 0.907286500000000, 0.631497185000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 93 coordinates: [ 0.907286500000000, 0.368502815000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 94 coordinates: [ 0.907286500000000, 0.868502815000000, 0.980527170000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 95 coordinates: [ 0.092713500000000, 0.368502815000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 96 coordinates: [ 0.092713500000000, 0.868502815000000, 0.019472830000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 97 coordinates: [ 0.481670670000000, 0.123673395000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 98 coordinates: [ 0.481670670000000, 0.623673395000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 99 coordinates: [ 0.518329330000000, 0.123673395000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 100 coordinates: [ 0.518329330000000, 0.623673395000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 101 coordinates: [ 0.518329330000000, 0.376326605000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 102 coordinates: [ 0.518329330000000, 0.876326605000000, 0.578921210000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 103 coordinates: [ 0.481670670000000, 0.376326605000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 104 coordinates: [ 0.481670670000000, 0.876326605000000, 0.421078790000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 105 coordinates: [ 0.116397210000000, 0.170750440000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 106 coordinates: [ 0.116397210000000, 0.670750440000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 107 coordinates: [ 0.883602790000000, 0.170750440000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 108 coordinates: [ 0.883602790000000, 0.670750440000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 109 coordinates: [ 0.883602790000000, 0.329249560000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 110 coordinates: [ 0.883602790000000, 0.829249560000000, 0.827913800000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 111 coordinates: [ 0.116397210000000, 0.329249560000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 112 coordinates: [ 0.116397210000000, 0.829249560000000, 0.172086200000000 ] mass: 30.973762 reduced_to: 55 - symbol: Cu # 113 coordinates: [ 0.717578900000000, 0.000000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 113 - symbol: Cu # 114 coordinates: [ 0.717578900000000, 0.500000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 113 - symbol: Cu # 115 coordinates: [ 0.282421100000000, 0.000000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 115 - symbol: Cu # 116 coordinates: [ 0.282421100000000, 0.500000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 115 - symbol: Cu # 117 coordinates: [ 0.115577720000000, 0.250000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 117 - symbol: Cu # 118 coordinates: [ 0.115577720000000, 0.750000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 117 - symbol: Cu # 119 coordinates: [ 0.884422280000000, 0.250000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 119 - symbol: Cu # 120 coordinates: [ 0.884422280000000, 0.750000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 119 - symbol: Cu # 121 coordinates: [ 0.844063640000000, 0.000000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 122 coordinates: [ 0.844063640000000, 0.500000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 123 coordinates: [ 0.155936360000000, 0.000000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 124 coordinates: [ 0.155936360000000, 0.500000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 125 coordinates: [ 0.966266990000000, 0.000000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 125 - symbol: Cu # 126 coordinates: [ 0.966266990000000, 0.500000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 125 - symbol: Cu # 127 coordinates: [ 0.033733010000000, 0.000000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 127 - symbol: Cu # 128 coordinates: [ 0.033733010000000, 0.500000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 127 - symbol: Cu # 129 coordinates: [ 0.217578900000000, 0.250000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 113 - symbol: Cu # 130 coordinates: [ 0.217578900000000, 0.750000000000000, 0.425904120000000 ] mass: 63.546000 reduced_to: 113 - symbol: Cu # 131 coordinates: [ 0.782421100000000, 0.250000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 115 - symbol: Cu # 132 coordinates: [ 0.782421100000000, 0.750000000000000, 0.574095880000000 ] mass: 63.546000 reduced_to: 115 - symbol: Cu # 133 coordinates: [ 0.615577720000000, 0.000000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 117 - symbol: Cu # 134 coordinates: [ 0.615577720000000, 0.500000000000000, 0.794442500000000 ] mass: 63.546000 reduced_to: 117 - symbol: Cu # 135 coordinates: [ 0.384422280000000, 0.000000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 119 - symbol: Cu # 136 coordinates: [ 0.384422280000000, 0.500000000000000, 0.205557500000000 ] mass: 63.546000 reduced_to: 119 - symbol: Cu # 137 coordinates: [ 0.344063640000000, 0.250000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 138 coordinates: [ 0.344063640000000, 0.750000000000000, 0.032980770000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 139 coordinates: [ 0.655936360000000, 0.250000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 140 coordinates: [ 0.655936360000000, 0.750000000000000, 0.967019230000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 141 coordinates: [ 0.466266990000000, 0.250000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 125 - symbol: Cu # 142 coordinates: [ 0.466266990000000, 0.750000000000000, 0.646976160000000 ] mass: 63.546000 reduced_to: 125 - symbol: Cu # 143 coordinates: [ 0.533733010000000, 0.250000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 127 - symbol: Cu # 144 coordinates: [ 0.533733010000000, 0.750000000000000, 0.353023840000000 ] mass: 63.546000 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ -0.1264703400000000, 0.0532481500000000, 0.0049851100000000 ] - [ 0.0400431300000000, 0.0521728400000000, -0.0063396700000000 ] - [ -0.0400177200000000, 0.0525432500000000, 0.0049834100000000 ] - [ -0.0413089700000000, 0.0525433800000000, 0.0066602300000000 ] - [ -0.0412539200000000, -0.0524695500000000, 0.0066974500000000 ] - [ -0.0413615300000000, -0.0527238200000000, 0.0066818100000000 ] - [ 0.0350908500000000, -0.0531829100000000, -0.0049403900000000 ] - [ 0.0389571700000000, -0.0524663400000000, -0.0053783900000000 ] - [ -0.0120317700000000, -0.0109764600000000, -0.0117348400000000 ] - [ -0.0291494500000000, -0.0108201300000000, 0.0072888500000000 ] - [ 0.0280195400000000, -0.0107009200000000, -0.0067875500000000 ] - [ 0.0292830900000000, -0.0108518600000000, -0.0071557500000000 ] - [ 0.0292577600000000, 0.0109151500000000, -0.0071617500000000 ] - [ 0.0293374100000000, 0.0107896000000000, -0.0071293700000000 ] - [ -0.0293261300000000, 0.0108481000000000, 0.0079789900000000 ] - [ -0.0292172700000000, 0.0108566500000000, 0.0075915100000000 ] - [ 0.0441276400000000, -0.0295491200000000, -0.0174736400000000 ] - [ 0.0131838000000000, -0.0002769900000000, -0.0112868600000000 ] - [ -0.0114618300000000, 0.0001301300000000, 0.0103084700000000 ] - [ -0.0116438800000000, -0.0000261300000000, 0.0107723500000000 ] - [ 0.0044455700000000, 0.0000432000000000, -0.0170668600000000 ] - [ 0.0043808800000000, 0.0000192900000000, -0.0170608600000000 ] - [ -0.0022052600000000, -0.0004850200000000, 0.0133099700000000 ] - [ -0.0044750900000000, 0.0000560200000000, 0.0168045800000000 ] - [ 0.0183303700000000, 0.0004064000000000, -0.0036318400000000 ] - [ 0.0179997000000000, 0.0000328800000000, -0.0035604000000000 ] - [ -0.0179611200000000, -0.0000364600000000, 0.0036898600000000 ] - [ -0.0178688400000000, -0.0000241100000000, 0.0036437800000000 ] - [ 0.0133956300000000, 0.0001383200000000, 0.0149069800000000 ] - [ 0.0137331300000000, 0.0001111600000000, 0.0150574500000000 ] - [ -0.0077216400000000, 0.0046792200000000, -0.0181996800000000 ] - [ -0.0132249300000000, 0.0000671200000000, -0.0153538400000000 ] - [ -0.0154291400000000, 0.0342757600000000, -0.0029612400000000 ] - [ -0.0154326700000000, 0.0342223900000000, -0.0029540300000000 ] - [ 0.0155163800000000, 0.0343456500000000, 0.0030445000000000 ] - [ 0.0154459700000000, 0.0341931200000000, 0.0030469700000000 ] - [ 0.0144036200000000, -0.0340044000000000, 0.0042496400000000 ] - [ 0.0154720700000000, -0.0343098100000000, 0.0031043500000000 ] - [ -0.0123524800000000, -0.0327484900000000, -0.0027822500000000 ] - [ -0.0153687500000000, -0.0342531400000000, -0.0030131200000000 ] - [ -0.0291058600000000, -0.0326769500000000, 0.0343655800000000 ] - [ -0.0305053300000000, -0.0319200600000000, 0.0343509300000000 ] - [ 0.0298804000000000, -0.0307908200000000, -0.0345462300000000 ] - [ 0.0295691500000000, -0.0310298600000000, -0.0345236900000000 ] - [ 0.0263740200000000, 0.0293462800000000, -0.0299064900000000 ] - [ 0.0294398600000000, 0.0310607400000000, -0.0344490500000000 ] - [ 0.0561857800000000, 0.0372945900000000, 0.0543326500000000 ] - [ -0.0294315500000000, 0.0308843400000000, 0.0343580700000000 ] - [ -0.0006675800000000, 0.0100085100000000, 0.0120955900000000 ] - [ -0.0001512400000000, 0.0099413900000000, 0.0127748300000000 ] - [ 0.0006550800000000, 0.0100748100000000, -0.0120554300000000 ] - [ 0.0005849500000000, 0.0100122600000000, -0.0120552300000000 ] - [ 0.0016379100000000, -0.0104493100000000, -0.0124758800000000 ] - [ 0.0006399800000000, -0.0101604500000000, -0.0120713800000000 ] - [ -0.0032450400000000, -0.0110787300000000, 0.0199785300000000 ] - [ -0.0006275700000000, -0.0101952600000000, 0.0121305300000000 ] - [ 0.0415515100000000, 0.0520374400000000, -0.0065805100000000 ] - [ 0.0415454300000000, 0.0525591500000000, -0.0071280000000000 ] - [ -0.0411113400000000, 0.0521356300000000, 0.0070046300000000 ] - [ -0.0411083300000000, 0.0525116600000000, 0.0062814300000000 ] - [ -0.0405053400000000, -0.0529022900000000, 0.0066389500000000 ] - [ -0.0409839000000000, -0.0525688300000000, 0.0066673600000000 ] - [ 0.0404804700000000, -0.0519911100000000, -0.0066467100000000 ] - [ 0.0412991400000000, -0.0525828700000000, -0.0065974000000000 ] - [ -0.0291931100000000, -0.0107505900000000, 0.0070753300000000 ] - [ -0.0291749000000000, -0.0107968100000000, 0.0068058800000000 ] - [ 0.0290872600000000, -0.0105024600000000, -0.0070624100000000 ] - [ 0.0292455300000000, -0.0108198700000000, -0.0071138400000000 ] - [ 0.0290716200000000, 0.0110658300000000, -0.0072174600000000 ] - [ 0.0291715000000000, 0.0107624000000000, -0.0070790700000000 ] - [ -0.0293239700000000, 0.0107357200000000, 0.0071296700000000 ] - [ -0.0293451000000000, 0.0107614500000000, 0.0071441700000000 ] - [ 0.0121919900000000, 0.0007795600000000, -0.0104978000000000 ] - [ 0.0121417600000000, 0.0001251900000000, -0.0107177900000000 ] - [ -0.0115893300000000, 0.0018123100000000, 0.0086945000000000 ] - [ -0.0119624100000000, -0.0000407300000000, 0.0104828300000000 ] - [ 0.0044939600000000, 0.0000512100000000, -0.0167195700000000 ] - [ 0.0044385200000000, 0.0000767800000000, -0.0169245500000000 ] - [ -0.0047224600000000, 0.0000115900000000, 0.0167270900000000 ] - [ -0.0044003700000000, 0.0000096100000000, 0.0171149600000000 ] - [ 0.0176955500000000, -0.0001030000000000, -0.0034736500000000 ] - [ 0.0178636000000000, 0.0000283400000000, -0.0035891600000000 ] - [ -0.0174429600000000, -0.0002520200000000, 0.0036721100000000 ] - [ -0.0178573500000000, -0.0000465600000000, 0.0035508900000000 ] - [ 0.0139898200000000, 0.0001120600000000, 0.0151566400000000 ] - [ 0.0138634900000000, -0.0000681100000000, 0.0148758200000000 ] - [ -0.0086512300000000, 0.0049019200000000, -0.0152513600000000 ] - [ -0.0134845500000000, 0.0001552300000000, -0.0149842800000000 ] - [ -0.0155387000000000, 0.0342981300000000, -0.0030336700000000 ] - [ -0.0154537400000000, 0.0342707000000000, -0.0031027700000000 ] - [ 0.0152824100000000, 0.0342076900000000, 0.0030326800000000 ] - [ 0.0154190000000000, 0.0340907500000000, 0.0028463300000000 ] - [ 0.0153248600000000, -0.0342623200000000, 0.0028629500000000 ] - [ 0.0153545800000000, -0.0341519400000000, 0.0025672200000000 ] - [ -0.0153231800000000, -0.0342559700000000, -0.0030516300000000 ] - [ -0.0155339700000000, -0.0343187800000000, -0.0030765500000000 ] - [ -0.0295028400000000, -0.0320130300000000, 0.0344331900000000 ] - [ -0.0295902200000000, -0.0312452500000000, 0.0344272400000000 ] - [ 0.0297408300000000, -0.0310934100000000, -0.0344153100000000 ] - [ 0.0295752300000000, -0.0310659700000000, -0.0344874900000000 ] - [ 0.0298575300000000, 0.0309284400000000, -0.0340298600000000 ] - [ 0.0295882600000000, 0.0309917100000000, -0.0342400400000000 ] - [ -0.0283655500000000, 0.0313362400000000, 0.0340289800000000 ] - [ -0.0286413300000000, 0.0304002000000000, 0.0352895500000000 ] - [ -0.0006107800000000, 0.0101413500000000, 0.0121410100000000 ] - [ -0.0005563100000000, 0.0101500800000000, 0.0120706100000000 ] - [ 0.0005207800000000, 0.0099704600000000, -0.0121761800000000 ] - [ 0.0005605700000000, 0.0100399800000000, -0.0119915300000000 ] - [ 0.0003516700000000, -0.0100076600000000, -0.0121226300000000 ] - [ 0.0004542900000000, -0.0100930400000000, -0.0119366100000000 ] - [ -0.0006011800000000, -0.0100205200000000, 0.0119110300000000 ] - [ -0.0007157200000000, -0.0102002600000000, 0.0120477800000000 ] - [ 0.0074308600000000, 0.0186199600000000, 0.0087214500000000 ] - [ -0.0110876800000000, 0.0003163000000000, 0.0163578800000000 ] - [ 0.0113124400000000, 0.0000506800000000, -0.0167305400000000 ] - [ 0.0114969700000000, 0.0000000900000000, -0.0166838800000000 ] - [ -0.0376882700000000, -0.0001456900000000, 0.0128254000000000 ] - [ -0.0377624300000000, 0.0000206700000000, 0.0130481500000000 ] - [ 0.0391402200000000, 0.0013177200000000, -0.0140403600000000 ] - [ 0.0378291600000000, -0.0000442400000000, -0.0131308400000000 ] - [ -0.0195908700000000, -0.0003267300000000, 0.0118509600000000 ] - [ -0.0197980800000000, 0.0000405400000000, 0.0119566900000000 ] - [ 0.0199420400000000, 0.0000200400000000, -0.0119815300000000 ] - [ 0.0199187300000000, -0.0000226800000000, -0.0120160500000000 ] - [ -0.0162750900000000, -0.0000956700000000, 0.0205579000000000 ] - [ -0.0162513100000000, -0.0000187700000000, 0.0202855700000000 ] - [ 0.0176424900000000, -0.0016134800000000, -0.0209949200000000 ] - [ 0.0163121600000000, -0.0001754300000000, -0.0203434700000000 ] - [ -0.0112314600000000, 0.0006657900000000, 0.0165426900000000 ] - [ -0.0114564100000000, -0.0000531000000000, 0.0167438000000000 ] - [ 0.0121474700000000, 0.0002787600000000, -0.0182957100000000 ] - [ 0.0114756900000000, -0.0000884600000000, -0.0166184400000000 ] - [ -0.0377368500000000, -0.0000516300000000, 0.0131428800000000 ] - [ -0.0377083300000000, 0.0000430000000000, 0.0131670800000000 ] - [ 0.0377167900000000, -0.0000689100000000, -0.0129784200000000 ] - [ 0.0377946600000000, -0.0000030000000000, -0.0130226100000000 ] - [ -0.0198981200000000, -0.0000123900000000, 0.0120146700000000 ] - [ -0.0199461700000000, 0.0000128000000000, 0.0120051300000000 ] - [ 0.0198516500000000, 0.0000591600000000, -0.0121544500000000 ] - [ 0.0198914000000000, 0.0000076300000000, -0.0120492000000000 ] - [ -0.0162296800000000, -0.0000983900000000, 0.0202286400000000 ] - [ -0.0162133300000000, -0.0000169900000000, 0.0202088400000000 ] - [ 0.0175430200000000, -0.0009504000000000, -0.0209657900000000 ] - [ 0.0161833700000000, -0.0000261500000000, -0.0202217900000000 ]- atom: 1 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.2054991600000000, 0.0515360000000000, -0.0199487600000000 ] - [ 0.0424559200000000, 0.0529458400000000, -0.0069642200000000 ] - [ -0.0424792800000000, 0.0525999500000000, 0.0083377400000000 ] - [ -0.0411889500000000, 0.0525800100000000, 0.0066337100000000 ] - [ -0.0412461000000000, -0.0526558200000000, 0.0065981200000000 ] - [ -0.0411386200000000, -0.0523990700000000, 0.0066142600000000 ] - [ 0.0473764800000000, -0.0519384400000000, -0.0083551900000000 ] - [ 0.0435717700000000, -0.0526367000000000, -0.0079425700000000 ] - [ -0.0464805500000000, -0.0106789300000000, 0.0259773700000000 ] - [ -0.0293490700000000, -0.0108240800000000, 0.0069625900000000 ] - [ 0.0304909900000000, -0.0109389400000000, -0.0074665300000000 ] - [ 0.0292160500000000, -0.0107894100000000, -0.0070955100000000 ] - [ 0.0292408900000000, 0.0107278000000000, -0.0070946600000000 ] - [ 0.0291609000000000, 0.0108520900000000, -0.0071232300000000 ] - [ -0.0291670600000000, 0.0107934600000000, 0.0062739100000000 ] - [ -0.0292794700000000, 0.0107934000000000, 0.0066569500000000 ] - [ -0.0209239700000000, 0.0303624500000000, -0.0037658300000000 ] - [ 0.0102360200000000, 0.0002772900000000, -0.0101838600000000 ] - [ -0.0119754700000000, -0.0001371800000000, 0.0111722200000000 ] - [ -0.0117903800000000, 0.0000265600000000, 0.0107095300000000 ] - [ 0.0043881000000000, -0.0000467500000000, -0.0170190200000000 ] - [ 0.0044515100000000, -0.0000187100000000, -0.0170273700000000 ] - [ -0.0066191400000000, 0.0004838100000000, 0.0207088300000000 ] - [ -0.0043589200000000, -0.0000537600000000, 0.0172818300000000 ] - [ 0.0175101200000000, -0.0004077400000000, -0.0034701600000000 ] - [ 0.0178480800000000, -0.0000326100000000, -0.0035461700000000 ] - [ -0.0178879800000000, 0.0000371100000000, 0.0034155200000000 ] - [ -0.0179799000000000, 0.0000241600000000, 0.0034630400000000 ] - [ 0.0144500800000000, -0.0001388100000000, 0.0153650700000000 ] - [ 0.0141171000000000, -0.0001109300000000, 0.0152429800000000 ] - [ -0.0199365100000000, -0.0046046700000000, -0.0121119900000000 ] - [ -0.0146209900000000, -0.0000657700000000, -0.0149470100000000 ] - [ -0.0153672200000000, 0.0342066400000000, -0.0031647900000000 ] - [ -0.0153659200000000, 0.0342599400000000, -0.0031708700000000 ] - [ 0.0152824100000000, 0.0341366200000000, 0.0030813400000000 ] - [ 0.0153520000000000, 0.0342900700000000, 0.0030794100000000 ] - [ 0.0163928600000000, -0.0344753600000000, 0.0018746700000000 ] - [ 0.0153245900000000, -0.0341720400000000, 0.0030227000000000 ] - [ -0.0184437400000000, -0.0357374400000000, -0.0033615300000000 ] - [ -0.0154306900000000, -0.0342288400000000, -0.0031128200000000 ] - [ -0.0298218400000000, -0.0294768900000000, 0.0344987200000000 ] - [ -0.0284432000000000, -0.0301926700000000, 0.0345390200000000 ] - [ 0.0290659300000000, -0.0313220300000000, -0.0343280400000000 ] - [ 0.0293753300000000, -0.0310914600000000, -0.0343498000000000 ] - [ 0.0326141800000000, 0.0327197300000000, -0.0390058500000000 ] - [ 0.0295055900000000, 0.0310584000000000, -0.0344242000000000 ] - [ -0.1112559100000000, 0.0250500200000000, 0.0158085100000000 ] - [ -0.0295079800000000, 0.0312338000000000, 0.0345193700000000 ] - [ -0.0005908100000000, 0.0101976800000000, 0.0120252800000000 ] - [ -0.0011143200000000, 0.0102528500000000, 0.0113377600000000 ] - [ 0.0006035200000000, 0.0101292300000000, -0.0120612900000000 ] - [ 0.0006744900000000, 0.0101946100000000, -0.0120601300000000 ] - [ -0.0003818500000000, -0.0097564100000000, -0.0116373700000000 ] - [ 0.0006183100000000, -0.0100455100000000, -0.0120474600000000 ] - [ 0.0019977300000000, -0.0091410600000000, 0.0041611800000000 ] - [ -0.0006314800000000, -0.0100079800000000, 0.0119858400000000 ] - [ 0.0409567600000000, 0.0530818900000000, -0.0067101500000000 ] - [ 0.0409482600000000, 0.0525633400000000, -0.0061746900000000 ] - [ -0.0413934600000000, 0.0529936100000000, 0.0062924600000000 ] - [ -0.0413940000000000, 0.0526042500000000, 0.0070033600000000 ] - [ -0.0420008900000000, -0.0522159500000000, 0.0066563600000000 ] - [ -0.0415176600000000, -0.0525546500000000, 0.0066291200000000 ] - [ 0.0420119600000000, -0.0531216700000000, -0.0066549400000000 ] - [ 0.0411977900000000, -0.0525410700000000, -0.0066994300000000 ] - [ -0.0293079800000000, -0.0108903900000000, 0.0071789400000000 ] - [ -0.0293220900000000, -0.0108443300000000, 0.0074473700000000 ] - [ 0.0294122900000000, -0.0111373000000000, -0.0071905900000000 ] - [ 0.0292542300000000, -0.0108176600000000, -0.0071317000000000 ] - [ 0.0294286100000000, 0.0105722100000000, -0.0070323600000000 ] - [ 0.0293302100000000, 0.0108781800000000, -0.0071743900000000 ] - [ -0.0291722100000000, 0.0109054500000000, 0.0071202000000000 ] - [ -0.0291546000000000, 0.0108816200000000, 0.0071081900000000 ] - [ 0.0112437300000000, -0.0007751600000000, -0.0109714600000000 ] - [ 0.0112942900000000, -0.0001260000000000, -0.0107585600000000 ] - [ -0.0118290200000000, -0.0017935400000000, 0.0128106400000000 ] - [ -0.0114708100000000, 0.0000378600000000, 0.0110005900000000 ] - [ 0.0043385100000000, -0.0000511400000000, -0.0173721900000000 ] - [ 0.0043937700000000, -0.0000757100000000, -0.0171709700000000 ] - [ -0.0041146900000000, -0.0000131700000000, 0.0173583900000000 ] - [ -0.0044323200000000, -0.0000093400000000, 0.0169733700000000 ] - [ 0.0181526000000000, 0.0001006800000000, -0.0036341200000000 ] - [ 0.0179832800000000, -0.0000282000000000, -0.0035186400000000 ] - [ -0.0184042000000000, 0.0002549000000000, 0.0034340100000000 ] - [ -0.0179904000000000, 0.0000458100000000, 0.0035556400000000 ] - [ 0.0138546700000000, -0.0001118800000000, 0.0151424300000000 ] - [ 0.0139794000000000, 0.0000708900000000, 0.0154233300000000 ] - [ -0.0192771200000000, -0.0049324400000000, -0.0150812800000000 ] - [ -0.0143547000000000, -0.0001555800000000, -0.0153206400000000 ] - [ -0.0152577600000000, 0.0341839300000000, -0.0030925700000000 ] - [ -0.0153433900000000, 0.0342120700000000, -0.0030227500000000 ] - [ 0.0155167400000000, 0.0342702700000000, 0.0030957000000000 ] - [ 0.0153792100000000, 0.0343923800000000, 0.0032790600000000 ] - [ 0.0154753700000000, -0.0342201300000000, 0.0032623600000000 ] - [ 0.0154413300000000, -0.0343292800000000, 0.0035556000000000 ] - [ -0.0154712100000000, -0.0342278900000000, -0.0030732300000000 ] - [ -0.0152653700000000, -0.0341624900000000, -0.0030479000000000 ] - [ -0.0294536100000000, -0.0301093500000000, 0.0344497100000000 ] - [ -0.0293569200000000, -0.0308754700000000, 0.0344487500000000 ] - [ 0.0292050000000000, -0.0310253700000000, -0.0344539300000000 ] - [ 0.0293702300000000, -0.0310522300000000, -0.0343852900000000 ] - [ 0.0290947900000000, 0.0311859300000000, -0.0348467200000000 ] - [ 0.0293554800000000, 0.0311263100000000, -0.0346340500000000 ] - [ -0.0305846600000000, 0.0307912700000000, 0.0348411600000000 ] - [ -0.0303040400000000, 0.0317147500000000, 0.0335871200000000 ] - [ -0.0006524100000000, 0.0100700600000000, 0.0119799100000000 ] - [ -0.0007010200000000, 0.0100554500000000, 0.0120466000000000 ] - [ 0.0007356000000000, 0.0102362800000000, -0.0119382400000000 ] - [ 0.0006974500000000, 0.0101649600000000, -0.0121269400000000 ] - [ 0.0009059500000000, -0.0101958300000000, -0.0119975600000000 ] - [ 0.0008068100000000, -0.0101160600000000, -0.0121784700000000 ] - [ -0.0006631800000000, -0.0101859800000000, 0.0122084000000000 ] - [ -0.0005437700000000, -0.0100073100000000, 0.0120700100000000 ] - [ -0.0308551400000000, -0.0193491800000000, 0.0249982200000000 ] - [ -0.0119873400000000, -0.0003047700000000, 0.0170263100000000 ] - [ 0.0117618800000000, -0.0000556000000000, -0.0166547600000000 ] - [ 0.0115779300000000, -0.0000046300000000, -0.0167018100000000 ] - [ -0.0378205900000000, 0.0001450900000000, 0.0132961200000000 ] - [ -0.0377481200000000, -0.0000176200000000, 0.0130752400000000 ] - [ 0.0363698300000000, -0.0013054600000000, -0.0120845700000000 ] - [ 0.0376799800000000, 0.0000415900000000, -0.0129916400000000 ] - [ -0.0202364000000000, 0.0003298700000000, 0.0121768200000000 ] - [ -0.0200310400000000, -0.0000342200000000, 0.0120676100000000 ] - [ 0.0198875800000000, -0.0000269900000000, -0.0120422400000000 ] - [ 0.0199097400000000, 0.0000162900000000, -0.0120072700000000 ] - [ -0.0161449900000000, 0.0001080300000000, 0.0198433400000000 ] - [ -0.0161708300000000, 0.0000257600000000, 0.0201189200000000 ] - [ 0.0148242600000000, 0.0015730500000000, -0.0194287200000000 ] - [ 0.0161077400000000, 0.0001705400000000, -0.0200641800000000 ] - [ -0.0118256100000000, -0.0006396300000000, 0.0168370500000000 ] - [ -0.0116212600000000, 0.0000597300000000, 0.0166416500000000 ] - [ 0.0109116200000000, -0.0002789700000000, -0.0150843400000000 ] - [ 0.0115997400000000, 0.0000830600000000, -0.0167654300000000 ] - [ -0.0377730800000000, 0.0000540000000000, 0.0129807200000000 ] - [ -0.0378040000000000, -0.0000399500000000, 0.0129560800000000 ] - [ 0.0377903600000000, 0.0000667000000000, -0.0131454100000000 ] - [ 0.0377164500000000, -0.0000007300000000, -0.0131011400000000 ] - [ -0.0199300100000000, 0.0000186300000000, 0.0120070900000000 ] - [ -0.0198830200000000, -0.0000070500000000, 0.0120180700000000 ] - [ 0.0199773400000000, -0.0000658100000000, -0.0118690400000000 ] - [ 0.0199391400000000, -0.0000131700000000, -0.0119730800000000 ] - [ -0.0161932100000000, 0.0001073800000000, 0.0201787900000000 ] - [ -0.0162102100000000, 0.0000247000000000, 0.0201976900000000 ] - [ 0.0148670900000000, 0.0009665400000000, -0.0194462500000000 ] - [ 0.0162405100000000, 0.0000175400000000, -0.0201861200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0436768500000000, -0.0928963900000000, -0.0014477000000000 ] - [ 0.0408584600000000, 0.0536709400000000, -0.0064723000000000 ] - [ -0.0412288800000000, 0.0525082500000000, 0.0063434200000000 ] - [ -0.0412322200000000, 0.0526566300000000, 0.0066714000000000 ] - [ -0.0411584200000000, -0.0527565900000000, 0.0066456100000000 ] - [ -0.0414114800000000, -0.0526452200000000, 0.0067215900000000 ] - [ 0.0418394000000000, -0.0422759500000000, -0.0064235100000000 ] - [ 0.0411756300000000, -0.0422900800000000, -0.0066674800000000 ] - [ -0.0290532200000000, -0.0015103000000000, -0.0019245200000000 ] - [ -0.0292971000000000, -0.0108452500000000, 0.0071886100000000 ] - [ 0.0289872200000000, -0.0110738300000000, -0.0071287300000000 ] - [ 0.0292256700000000, -0.0107963200000000, -0.0071644100000000 ] - [ 0.0291728000000000, 0.0109910100000000, -0.0072388600000000 ] - [ 0.0293121100000000, 0.0108915100000000, -0.0071650100000000 ] - [ -0.0295060500000000, 0.0093784900000000, 0.0071262300000000 ] - [ -0.0291959000000000, 0.0095342300000000, 0.0074344000000000 ] - [ -0.0162515000000000, 0.0658887500000000, -0.0017072000000000 ] - [ 0.0112717600000000, 0.0008754500000000, -0.0103478500000000 ] - [ -0.0116935800000000, 0.0001813200000000, 0.0103062800000000 ] - [ -0.0116377000000000, -0.0000292800000000, 0.0107041900000000 ] - [ 0.0044314500000000, 0.0000717500000000, -0.0170243400000000 ] - [ 0.0043838500000000, -0.0000063900000000, -0.0169663600000000 ] - [ -0.0074425600000000, 0.0013956500000000, 0.0223919300000000 ] - [ -0.0045036800000000, 0.0000707100000000, 0.0175234900000000 ] - [ 0.0182227200000000, 0.0010193700000000, -0.0036761400000000 ] - [ 0.0178412800000000, -0.0002230300000000, -0.0035638800000000 ] - [ -0.0180218500000000, -0.0000050000000000, 0.0035719500000000 ] - [ -0.0179707200000000, 0.0000145600000000, 0.0035019200000000 ] - [ 0.0144831100000000, 0.0002095600000000, 0.0148477900000000 ] - [ 0.0139256600000000, -0.0000648400000000, 0.0150580500000000 ] - [ -0.0066979200000000, -0.0003706400000000, -0.0146985000000000 ] - [ -0.0132587600000000, -0.0001704600000000, -0.0150020500000000 ] - [ -0.0153029600000000, 0.0339906000000000, -0.0031666900000000 ] - [ -0.0153270900000000, 0.0341962400000000, -0.0030163800000000 ] - [ 0.0153892600000000, 0.0342396100000000, 0.0031248500000000 ] - [ 0.0154800900000000, 0.0343744900000000, 0.0031247000000000 ] - [ 0.0154315200000000, -0.0343667100000000, 0.0030556600000000 ] - [ 0.0153941100000000, -0.0342429600000000, 0.0031194800000000 ] - [ -0.0149637800000000, -0.0342887100000000, -0.0028981200000000 ] - [ -0.0153567400000000, -0.0341287100000000, -0.0030211500000000 ] - [ -0.0304382300000000, -0.0317726300000000, 0.0348529400000000 ] - [ -0.0302910600000000, -0.0319990800000000, 0.0342031800000000 ] - [ 0.0292939500000000, -0.0306821100000000, -0.0341777600000000 ] - [ 0.0295937800000000, -0.0309647400000000, -0.0344580400000000 ] - [ 0.0295099900000000, 0.0309459500000000, -0.0325511700000000 ] - [ 0.0294420300000000, 0.0309682800000000, -0.0343701600000000 ] - [ -0.0291500600000000, 0.0428828800000000, 0.0330441000000000 ] - [ -0.0292868200000000, 0.0313977700000000, 0.0343894600000000 ] - [ -0.0005294200000000, 0.0104613600000000, 0.0120786200000000 ] - [ -0.0004957900000000, 0.0104621800000000, 0.0127270900000000 ] - [ 0.0006743700000000, 0.0100576500000000, -0.0120704500000000 ] - [ 0.0005501000000000, 0.0101395500000000, -0.0121132500000000 ] - [ 0.0006582500000000, -0.0100268500000000, -0.0121355100000000 ] - [ 0.0005578300000000, -0.0101397300000000, -0.0120665900000000 ] - [ 0.0003128100000000, -0.0097078300000000, 0.0143496300000000 ] - [ -0.0007413700000000, -0.0102030900000000, 0.0120501500000000 ] - [ 0.0412492000000000, 0.0516843700000000, -0.0065504500000000 ] - [ 0.0407306900000000, 0.0516915100000000, -0.0067992800000000 ] - [ -0.0412008100000000, 0.0535083500000000, 0.0058744300000000 ] - [ -0.0408250900000000, 0.0534841100000000, 0.0063246800000000 ] - [ -0.0415995400000000, -0.0552251100000000, 0.0071428100000000 ] - [ -0.0412572600000000, -0.0526277400000000, 0.0067047500000000 ] - [ 0.0406822500000000, -0.0512170200000000, -0.0066747700000000 ] - [ 0.0412700600000000, -0.0521498100000000, -0.0066439600000000 ] - [ -0.0291893800000000, -0.0105797700000000, 0.0072022800000000 ] - [ -0.0293306600000000, -0.0105450200000000, 0.0069851000000000 ] - [ 0.0293982700000000, -0.0117416700000000, -0.0069844500000000 ] - [ 0.0292413600000000, -0.0108550200000000, -0.0072836300000000 ] - [ 0.0292096300000000, 0.0116998700000000, -0.0074234800000000 ] - [ 0.0291068200000000, 0.0111288100000000, -0.0071197900000000 ] - [ -0.0293235800000000, 0.0102387500000000, 0.0072253800000000 ] - [ -0.0292417800000000, 0.0108397100000000, 0.0071189600000000 ] - [ 0.0117481300000000, 0.0010104800000000, -0.0104026400000000 ] - [ 0.0120067800000000, -0.0003226900000000, -0.0105446100000000 ] - [ -0.0109704700000000, 0.0010465100000000, 0.0076796800000000 ] - [ -0.0115327900000000, 0.0002474200000000, 0.0103821400000000 ] - [ 0.0042673400000000, 0.0000898200000000, -0.0166551300000000 ] - [ 0.0044195100000000, -0.0003013400000000, -0.0167685400000000 ] - [ -0.0042125300000000, 0.0000536200000000, 0.0166868700000000 ] - [ -0.0044518700000000, 0.0000188500000000, 0.0170669800000000 ] - [ 0.0177003400000000, -0.0001028700000000, -0.0035176500000000 ] - [ 0.0178836200000000, -0.0000045800000000, -0.0035978800000000 ] - [ -0.0181204700000000, 0.0000199000000000, 0.0034221000000000 ] - [ -0.0179557200000000, -0.0000540800000000, 0.0036473400000000 ] - [ 0.0140413700000000, 0.0000136300000000, 0.0151215200000000 ] - [ 0.0140264100000000, -0.0001701500000000, 0.0148721000000000 ] - [ -0.0110945300000000, 0.0008584500000000, -0.0150650900000000 ] - [ -0.0135579500000000, -0.0000071800000000, -0.0151054700000000 ] - [ -0.0153472500000000, 0.0341872800000000, -0.0030147300000000 ] - [ -0.0153547300000000, 0.0342057300000000, -0.0030515400000000 ] - [ 0.0156868700000000, 0.0347784500000000, 0.0031525000000000 ] - [ 0.0153697300000000, 0.0344091700000000, 0.0032387200000000 ] - [ 0.0152562800000000, -0.0349169400000000, 0.0026787000000000 ] - [ 0.0153926100000000, -0.0344830800000000, 0.0038348600000000 ] - [ -0.0153578000000000, -0.0341664400000000, -0.0030346200000000 ] - [ -0.0152692100000000, -0.0342179000000000, -0.0030245000000000 ] - [ -0.0299734600000000, -0.0333663600000000, 0.0343300600000000 ] - [ -0.0295589500000000, -0.0311801100000000, 0.0344168900000000 ] - [ 0.0295976000000000, -0.0307757600000000, -0.0344092700000000 ] - [ 0.0295344400000000, -0.0308677300000000, -0.0345130500000000 ] - [ 0.0291860300000000, 0.0308321800000000, -0.0342210200000000 ] - [ 0.0295950700000000, 0.0308421100000000, -0.0343774600000000 ] - [ -0.0288850100000000, 0.0323546200000000, 0.0343542100000000 ] - [ -0.0294948800000000, 0.0321638200000000, 0.0341701000000000 ] - [ -0.0005892000000000, 0.0104517200000000, 0.0121881300000000 ] - [ -0.0008707100000000, 0.0100640200000000, 0.0120753500000000 ] - [ 0.0005058700000000, 0.0102082900000000, -0.0118612000000000 ] - [ 0.0006681300000000, 0.0101403700000000, -0.0121120900000000 ] - [ 0.0010166100000000, -0.0100209700000000, -0.0125000500000000 ] - [ 0.0004919200000000, -0.0100385700000000, -0.0124090400000000 ] - [ -0.0010141200000000, -0.0102071300000000, 0.0120913300000000 ] - [ -0.0004931400000000, -0.0101960700000000, 0.0121111300000000 ] - [ 0.0083789500000000, 0.0345120700000000, 0.0052543900000000 ] - [ -0.0110664100000000, 0.0002258500000000, 0.0165246300000000 ] - [ 0.0115840200000000, -0.0000300100000000, -0.0166653500000000 ] - [ 0.0115446300000000, -0.0000264000000000, -0.0167042200000000 ] - [ -0.0377122100000000, -0.0000235700000000, 0.0132154500000000 ] - [ -0.0377433300000000, -0.0000071500000000, 0.0130559800000000 ] - [ 0.0386520600000000, 0.0006769700000000, -0.0144308300000000 ] - [ 0.0379791800000000, 0.0000433300000000, -0.0133008500000000 ] - [ -0.0205563100000000, 0.0004271800000000, 0.0119313400000000 ] - [ -0.0200246600000000, -0.0000675500000000, 0.0120403400000000 ] - [ 0.0199497300000000, -0.0000001700000000, -0.0120345900000000 ] - [ 0.0199307300000000, -0.0000101300000000, -0.0119960100000000 ] - [ -0.0164594600000000, 0.0000476900000000, 0.0202697100000000 ] - [ -0.0162252000000000, -0.0000231900000000, 0.0202096700000000 ] - [ 0.0145650200000000, 0.0005054400000000, -0.0203655600000000 ] - [ 0.0160365300000000, -0.0000053200000000, -0.0201880300000000 ] - [ -0.0111442000000000, 0.0005642200000000, 0.0159428600000000 ] - [ -0.0115634900000000, -0.0000843000000000, 0.0165268400000000 ] - [ 0.0114632000000000, -0.0003174500000000, -0.0144155800000000 ] - [ 0.0115683300000000, -0.0002071500000000, -0.0166839200000000 ] - [ -0.0377124300000000, 0.0000013700000000, 0.0130155900000000 ] - [ -0.0376998800000000, -0.0000668500000000, 0.0129316200000000 ] - [ 0.0376147000000000, 0.0000399500000000, -0.0127821800000000 ] - [ 0.0377838600000000, -0.0000203700000000, -0.0130564100000000 ] - [ -0.0198992200000000, 0.0000046100000000, 0.0119650600000000 ] - [ -0.0199094900000000, -0.0000069000000000, 0.0120216600000000 ] - [ 0.0198852500000000, 0.0000636000000000, -0.0120976800000000 ] - [ 0.0199132200000000, -0.0000207800000000, -0.0121094800000000 ] - [ -0.0162122100000000, -0.0000490000000000, 0.0202031200000000 ] - [ -0.0162268000000000, 0.0000167300000000, 0.0202112900000000 ] - [ 0.0144051000000000, -0.0009644600000000, -0.0202194600000000 ] - [ 0.0160395000000000, -0.0001211200000000, -0.0201957000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0419805200000000, 0.1968321800000000, -0.0133090200000000 ] - [ 0.0416331600000000, 0.0514539600000000, -0.0068157700000000 ] - [ -0.0412870400000000, 0.0526213200000000, 0.0069731200000000 ] - [ -0.0412673100000000, 0.0524663100000000, 0.0066237400000000 ] - [ -0.0413433700000000, -0.0523680500000000, 0.0066509500000000 ] - [ -0.0410856600000000, -0.0524765200000000, 0.0065723900000000 ] - [ 0.0405966700000000, -0.0626109500000000, -0.0068621500000000 ] - [ 0.0413453500000000, -0.0630178100000000, -0.0066470500000000 ] - [ -0.0295925000000000, -0.0202062000000000, 0.0165033000000000 ] - [ -0.0292051100000000, -0.0108035200000000, 0.0070699600000000 ] - [ 0.0295274800000000, -0.0105685000000000, -0.0071277500000000 ] - [ 0.0292738600000000, -0.0108474600000000, -0.0070862500000000 ] - [ 0.0293292600000000, 0.0106516500000000, -0.0070158600000000 ] - [ 0.0291867900000000, 0.0107511700000000, -0.0070868300000000 ] - [ -0.0290026300000000, 0.0122672900000000, 0.0071524300000000 ] - [ -0.0292972300000000, 0.0121269400000000, 0.0068020300000000 ] - [ 0.0380810200000000, -0.0634924900000000, -0.0191584100000000 ] - [ 0.0121712200000000, -0.0008855900000000, -0.0111393300000000 ] - [ -0.0117433800000000, -0.0001843300000000, 0.0111758500000000 ] - [ -0.0117979200000000, 0.0000303900000000, 0.0107776700000000 ] - [ 0.0044014300000000, -0.0000736500000000, -0.0170621200000000 ] - [ 0.0044493700000000, 0.0000070700000000, -0.0171208600000000 ] - [ -0.0013806700000000, -0.0014003800000000, 0.0116297400000000 ] - [ -0.0043251500000000, -0.0000720600000000, 0.0165564700000000 ] - [ 0.0176183000000000, -0.0010210300000000, -0.0034250800000000 ] - [ 0.0180086200000000, 0.0002237400000000, -0.0035439800000000 ] - [ -0.0178263300000000, 0.0000050900000000, 0.0035351400000000 ] - [ -0.0178768100000000, -0.0000147400000000, 0.0036068100000000 ] - [ 0.0133680000000000, -0.0002092900000000, 0.0154496300000000 ] - [ 0.0139216100000000, 0.0000637400000000, 0.0152424700000000 ] - [ -0.0210850200000000, 0.0003582800000000, -0.0155888800000000 ] - [ -0.0145904200000000, 0.0001797400000000, -0.0153008300000000 ] - [ -0.0154935800000000, 0.0344907900000000, -0.0029613200000000 ] - [ -0.0154690100000000, 0.0342859500000000, -0.0031112700000000 ] - [ 0.0154104200000000, 0.0342435400000000, 0.0029998800000000 ] - [ 0.0153182900000000, 0.0341076000000000, 0.0030030200000000 ] - [ 0.0153726100000000, -0.0341178800000000, 0.0030637000000000 ] - [ 0.0154019900000000, -0.0342399700000000, 0.0030075200000000 ] - [ -0.0158489000000000, -0.0342031500000000, -0.0032177300000000 ] - [ -0.0154427600000000, -0.0343536500000000, -0.0031029400000000 ] - [ -0.0285324200000000, -0.0303490900000000, 0.0340109300000000 ] - [ -0.0286396700000000, -0.0301134400000000, 0.0346880700000000 ] - [ 0.0296509900000000, -0.0314360100000000, -0.0346988600000000 ] - [ 0.0293488900000000, -0.0311585100000000, -0.0344151700000000 ] - [ 0.0294783100000000, 0.0311719000000000, -0.0363720300000000 ] - [ 0.0295049800000000, 0.0311501000000000, -0.0345068000000000 ] - [ -0.0301666100000000, 0.0192198700000000, 0.0358026700000000 ] - [ -0.0296687800000000, 0.0307201200000000, 0.0344862800000000 ] - [ -0.0007222800000000, 0.0097466200000000, 0.0120446400000000 ] - [ -0.0007661400000000, 0.0097439700000000, 0.0113772600000000 ] - [ 0.0005826000000000, 0.0101470200000000, -0.0120460000000000 ] - [ 0.0007090500000000, 0.0100669500000000, -0.0120041500000000 ] - [ 0.0005908700000000, -0.0101758800000000, -0.0119764400000000 ] - [ 0.0007006800000000, -0.0100661500000000, -0.0120517800000000 ] - [ -0.0015346200000000, -0.0104796900000000, 0.0097658100000000 ] - [ -0.0005194200000000, -0.0100007800000000, 0.0120677100000000 ] - [ 0.0412539000000000, 0.0534333300000000, -0.0067427700000000 ] - [ 0.0417738800000000, 0.0534399700000000, -0.0065026100000000 ] - [ -0.0412977500000000, 0.0516306900000000, 0.0074148900000000 ] - [ -0.0416841700000000, 0.0516059600000000, 0.0069540800000000 ] - [ -0.0409103100000000, -0.0498834700000000, 0.0061259100000000 ] - [ -0.0412423600000000, -0.0524995600000000, 0.0065894400000000 ] - [ 0.0418123200000000, -0.0539037100000000, -0.0066258600000000 ] - [ 0.0412279900000000, -0.0529765200000000, -0.0066520800000000 ] - [ -0.0293122100000000, -0.0110570800000000, 0.0070540500000000 ] - [ -0.0291674100000000, -0.0111018900000000, 0.0072682100000000 ] - [ 0.0291023400000000, -0.0099017700000000, -0.0072642600000000 ] - [ 0.0292629900000000, -0.0107799500000000, -0.0069584900000000 ] - [ 0.0292945700000000, 0.0099442700000000, -0.0068219700000000 ] - [ 0.0293966400000000, 0.0105124500000000, -0.0071341300000000 ] - [ -0.0291716900000000, 0.0114036400000000, 0.0070275500000000 ] - [ -0.0292584100000000, 0.0108012900000000, 0.0071337500000000 ] - [ 0.0116819900000000, -0.0010078900000000, -0.0110697300000000 ] - [ 0.0114274500000000, 0.0003272800000000, -0.0109331900000000 ] - [ -0.0124387800000000, -0.0010148700000000, 0.0138314600000000 ] - [ -0.0119004300000000, -0.0002475600000000, 0.0110833600000000 ] - [ 0.0045621000000000, -0.0000928200000000, -0.0174378600000000 ] - [ 0.0044136000000000, 0.0003028000000000, -0.0173266900000000 ] - [ -0.0046165000000000, -0.0000545700000000, 0.0173935100000000 ] - [ -0.0043809600000000, -0.0000190500000000, 0.0170205800000000 ] - [ 0.0181500600000000, 0.0001030900000000, -0.0035935700000000 ] - [ 0.0179634800000000, 0.0000048700000000, -0.0035100500000000 ] - [ -0.0177286300000000, -0.0000212200000000, 0.0036879700000000 ] - [ -0.0178913000000000, 0.0000521700000000, 0.0034592200000000 ] - [ 0.0138007900000000, -0.0000124800000000, 0.0151777900000000 ] - [ 0.0138163000000000, 0.0001727400000000, 0.0154272200000000 ] - [ -0.0167887100000000, -0.0008382100000000, -0.0152720700000000 ] - [ -0.0142706300000000, 0.0000044500000000, -0.0151922200000000 ] - [ -0.0154482200000000, 0.0342953000000000, -0.0031134800000000 ] - [ -0.0154423500000000, 0.0342758300000000, -0.0030755600000000 ] - [ 0.0151092300000000, 0.0337006100000000, 0.0029792900000000 ] - [ 0.0154286100000000, 0.0340733700000000, 0.0028864400000000 ] - [ 0.0155373100000000, -0.0335651600000000, 0.0034476400000000 ] - [ 0.0154022500000000, -0.0339972900000000, 0.0022867600000000 ] - [ -0.0154400100000000, -0.0343164200000000, -0.0030928200000000 ] - [ -0.0155309900000000, -0.0342634300000000, -0.0031014100000000 ] - [ -0.0289581300000000, -0.0287484500000000, 0.0345601300000000 ] - [ -0.0293871800000000, -0.0309396200000000, 0.0344598200000000 ] - [ 0.0293444600000000, -0.0313469400000000, -0.0344589500000000 ] - [ 0.0294136400000000, -0.0312517600000000, -0.0343600600000000 ] - [ 0.0297651600000000, 0.0312842100000000, -0.0346563100000000 ] - [ 0.0293490600000000, 0.0312766400000000, -0.0344949500000000 ] - [ -0.0300591700000000, 0.0297777000000000, 0.0345216400000000 ] - [ -0.0294414100000000, 0.0299304800000000, 0.0347162200000000 ] - [ -0.0006731100000000, 0.0097510200000000, 0.0119310400000000 ] - [ -0.0003865900000000, 0.0101412600000000, 0.0120426800000000 ] - [ 0.0007563700000000, 0.0100002300000000, -0.0122556000000000 ] - [ 0.0005888300000000, 0.0100619500000000, -0.0120062200000000 ] - [ 0.0002477800000000, -0.0101839200000000, -0.0116249100000000 ] - [ 0.0007675300000000, -0.0101716200000000, -0.0117063200000000 ] - [ -0.0002463000000000, -0.0100018900000000, 0.0120299700000000 ] - [ -0.0007684200000000, -0.0100078700000000, 0.0120059100000000 ] - [ -0.0325882700000000, -0.0357950300000000, 0.0287608000000000 ] - [ -0.0120046700000000, -0.0001941300000000, 0.0168653300000000 ] - [ 0.0114945200000000, 0.0000229100000000, -0.0167195300000000 ] - [ 0.0115321100000000, 0.0000208000000000, -0.0166811100000000 ] - [ -0.0377992500000000, 0.0000266700000000, 0.0129100700000000 ] - [ -0.0377674700000000, 0.0000107500000000, 0.0130673100000000 ] - [ 0.0368652700000000, -0.0006811100000000, -0.0116897500000000 ] - [ 0.0375318900000000, -0.0000473400000000, -0.0128204000000000 ] - [ -0.0192670100000000, -0.0004271700000000, 0.0120909500000000 ] - [ -0.0198031100000000, 0.0000736300000000, 0.0119844600000000 ] - [ 0.0198796000000000, -0.0000068100000000, -0.0119884700000000 ] - [ 0.0198988700000000, 0.0000045200000000, -0.0120268100000000 ] - [ -0.0159598100000000, -0.0000390800000000, 0.0201346500000000 ] - [ -0.0161980800000000, 0.0000303400000000, 0.0201972100000000 ] - [ 0.0178599900000000, -0.0005100900000000, -0.0200471800000000 ] - [ 0.0163910400000000, 0.0000003300000000, -0.0202219700000000 ] - [ -0.0119308800000000, -0.0005538400000000, 0.0174396300000000 ] - [ -0.0115129300000000, 0.0000909000000000, 0.0168615200000000 ] - [ 0.0116191100000000, 0.0003339700000000, -0.0189290200000000 ] - [ 0.0115070500000000, 0.0002058900000000, -0.0167034100000000 ] - [ -0.0377960600000000, 0.0000009000000000, 0.0131059500000000 ] - [ -0.0378110300000000, 0.0000709100000000, 0.0131931000000000 ] - [ 0.0378950600000000, -0.0000430300000000, -0.0133443300000000 ] - [ 0.0377280500000000, 0.0000168800000000, -0.0130658300000000 ] - [ -0.0199314700000000, 0.0000015600000000, 0.0120580000000000 ] - [ -0.0199205000000000, 0.0000125200000000, 0.0120012200000000 ] - [ 0.0199446000000000, -0.0000699600000000, -0.0119262900000000 ] - [ 0.0199181700000000, 0.0000169600000000, -0.0119134600000000 ] - [ -0.0162116800000000, 0.0000571000000000, 0.0202046700000000 ] - [ -0.0161981800000000, -0.0000092700000000, 0.0201958800000000 ] - [ 0.0179864900000000, 0.0009776600000000, -0.0201972500000000 ] - [ 0.0163884700000000, 0.0001145500000000, -0.0202128300000000 ]- atom: 1 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.1029344800000000, 0.0581143200000000, -0.1336690800000000 ] - [ 0.0419139500000000, 0.0528421000000000, -0.0075407700000000 ] - [ -0.0432185900000000, 0.0528753700000000, 0.0099573000000000 ] - [ -0.0412181300000000, 0.0525448100000000, 0.0065825900000000 ] - [ -0.0412013800000000, -0.0525932600000000, 0.0064979400000000 ] - [ -0.0411842500000000, -0.0524435800000000, 0.0066834300000000 ] - [ 0.0447096100000000, -0.0525894700000000, -0.0067786900000000 ] - [ 0.0431748200000000, -0.0525683900000000, -0.0083849900000000 ] - [ -0.0525233700000000, -0.0177106700000000, 0.0848517400000000 ] - [ -0.0292859100000000, -0.0106790700000000, 0.0070109300000000 ] - [ 0.0310183700000000, -0.0108719100000000, -0.0077486600000000 ] - [ 0.0292452500000000, -0.0108096200000000, -0.0070673000000000 ] - [ 0.0292009300000000, 0.0107540300000000, -0.0070960800000000 ] - [ 0.0292332600000000, 0.0108294800000000, -0.0071504900000000 ] - [ -0.0286310700000000, 0.0108759800000000, 0.0066658800000000 ] - [ -0.0294665000000000, 0.0104625800000000, 0.0063858800000000 ] - [ -0.0043754500000000, 0.0201187100000000, 0.0022647700000000 ] - [ 0.0104819200000000, 0.0003228400000000, -0.0101680800000000 ] - [ -0.0116997700000000, -0.0002303700000000, 0.0112770400000000 ] - [ -0.0117484600000000, 0.0000063200000000, 0.0108237300000000 ] - [ 0.0043684000000000, 0.0001366500000000, -0.0172318400000000 ] - [ 0.0044431500000000, -0.0000087800000000, -0.0170976900000000 ] - [ -0.0089142700000000, 0.0044495200000000, 0.0166737100000000 ] - [ -0.0046402200000000, -0.0000356000000000, 0.0170675100000000 ] - [ 0.0176924000000000, -0.0005217800000000, -0.0033574700000000 ] - [ 0.0178517500000000, 0.0000294400000000, -0.0035162700000000 ] - [ -0.0177962300000000, 0.0000160100000000, 0.0036371800000000 ] - [ -0.0178391500000000, -0.0000023300000000, 0.0036223100000000 ] - [ 0.0142035200000000, -0.0001317100000000, 0.0144397100000000 ] - [ 0.0138721000000000, -0.0001110500000000, 0.0151558100000000 ] - [ -0.0164619700000000, -0.0004079500000000, -0.0154147900000000 ] - [ -0.0141905800000000, -0.0000946800000000, -0.0154591100000000 ] - [ -0.0153171500000000, 0.0341109300000000, -0.0030872200000000 ] - [ -0.0153478700000000, 0.0341447800000000, -0.0030331400000000 ] - [ 0.0153445800000000, 0.0341893200000000, 0.0030978200000000 ] - [ 0.0154467700000000, 0.0343098700000000, 0.0031685500000000 ] - [ 0.0158682700000000, -0.0344830900000000, 0.0025129300000000 ] - [ 0.0153744500000000, -0.0342091000000000, 0.0031464400000000 ] - [ -0.0159573900000000, -0.0352587700000000, -0.0015056200000000 ] - [ -0.0153758700000000, -0.0340814600000000, -0.0029885900000000 ] - [ -0.0293146700000000, -0.0308795000000000, 0.0347533200000000 ] - [ -0.0293343200000000, -0.0309746700000000, 0.0349776900000000 ] - [ 0.0295585000000000, -0.0310170200000000, -0.0339937200000000 ] - [ 0.0295068400000000, -0.0309570100000000, -0.0342737600000000 ] - [ 0.0385842600000000, 0.0306995700000000, -0.0338695100000000 ] - [ 0.0295094300000000, 0.0310319000000000, -0.0342833400000000 ] - [ -0.0374112600000000, 0.0318220500000000, 0.0453096600000000 ] - [ -0.0293721600000000, 0.0311200600000000, 0.0347394700000000 ] - [ -0.0005481600000000, 0.0101094300000000, 0.0121613000000000 ] - [ -0.0007341600000000, 0.0101100500000000, 0.0111817600000000 ] - [ 0.0006109400000000, 0.0100936400000000, -0.0120265900000000 ] - [ 0.0007139300000000, 0.0102239700000000, -0.0120721800000000 ] - [ -0.0000254200000000, -0.0098640000000000, -0.0113415200000000 ] - [ 0.0006279800000000, -0.0100858500000000, -0.0120187700000000 ] - [ 0.0040693300000000, -0.0096658500000000, 0.0135341000000000 ] - [ -0.0006416400000000, -0.0099678400000000, 0.0120784800000000 ] - [ 0.0407079200000000, 0.0525792800000000, -0.0070926100000000 ] - [ 0.0412229800000000, 0.0526575500000000, -0.0069312000000000 ] - [ -0.0416403300000000, 0.0529947700000000, 0.0078914300000000 ] - [ -0.0409559700000000, 0.0533152100000000, 0.0081119500000000 ] - [ -0.0414952200000000, -0.0519821300000000, 0.0071640300000000 ] - [ -0.0413131500000000, -0.0525081100000000, 0.0066719600000000 ] - [ 0.0414839600000000, -0.0527093000000000, -0.0068756000000000 ] - [ 0.0412828700000000, -0.0525607400000000, -0.0067720800000000 ] - [ -0.0291824900000000, -0.0108575400000000, 0.0070863200000000 ] - [ -0.0293096000000000, -0.0109916300000000, 0.0069385400000000 ] - [ 0.0290546200000000, -0.0103387900000000, -0.0071900100000000 ] - [ 0.0290574200000000, -0.0114204100000000, -0.0074828700000000 ] - [ 0.0292254100000000, 0.0105080900000000, -0.0071063000000000 ] - [ 0.0291856800000000, 0.0107814900000000, -0.0071782500000000 ] - [ -0.0290624100000000, 0.0107847100000000, 0.0071016300000000 ] - [ -0.0292044000000000, 0.0108494000000000, 0.0071077500000000 ] - [ 0.0115480000000000, 0.0004385300000000, -0.0102231800000000 ] - [ 0.0116703200000000, -0.0001238400000000, -0.0105593800000000 ] - [ -0.0136846300000000, -0.0048582500000000, 0.0158415400000000 ] - [ -0.0117235400000000, -0.0002303500000000, 0.0111208600000000 ] - [ 0.0044048100000000, 0.0000208000000000, -0.0173105900000000 ] - [ 0.0044323300000000, 0.0000215500000000, -0.0166924400000000 ] - [ -0.0041671300000000, 0.0001249200000000, 0.0167651100000000 ] - [ -0.0043799100000000, -0.0000247100000000, 0.0170072000000000 ] - [ 0.0180406400000000, -0.0000257100000000, -0.0038093400000000 ] - [ 0.0179261300000000, -0.0000294600000000, -0.0036316400000000 ] - [ -0.0180025400000000, -0.0001118400000000, 0.0035281900000000 ] - [ -0.0179858400000000, 0.0001082400000000, 0.0035843700000000 ] - [ 0.0138580900000000, -0.0000404800000000, 0.0151327500000000 ] - [ 0.0138457600000000, 0.0000954700000000, 0.0153038300000000 ] - [ -0.0148008400000000, 0.0000516700000000, -0.0157178400000000 ] - [ -0.0141607600000000, 0.0001035100000000, -0.0152587900000000 ] - [ -0.0154332100000000, 0.0342231600000000, -0.0032355700000000 ] - [ -0.0154284300000000, 0.0342305900000000, -0.0030999200000000 ] - [ 0.0154018800000000, 0.0338906300000000, 0.0031679500000000 ] - [ 0.0153485000000000, 0.0343210600000000, 0.0031723100000000 ] - [ 0.0155763200000000, -0.0341814600000000, 0.0032664800000000 ] - [ 0.0153093600000000, -0.0341135900000000, 0.0030470900000000 ] - [ -0.0154802800000000, -0.0341976100000000, -0.0031433700000000 ] - [ -0.0154912200000000, -0.0341980600000000, -0.0031127200000000 ] - [ -0.0297302700000000, -0.0308769700000000, 0.0348602500000000 ] - [ -0.0295242500000000, -0.0309436500000000, 0.0344772400000000 ] - [ 0.0291748800000000, -0.0310692000000000, -0.0343526500000000 ] - [ 0.0294351100000000, -0.0309850500000000, -0.0343700500000000 ] - [ 0.0295444500000000, 0.0310531700000000, -0.0343022100000000 ] - [ 0.0295517300000000, 0.0311289100000000, -0.0341941000000000 ] - [ -0.0291417400000000, 0.0312511100000000, 0.0348302600000000 ] - [ -0.0295010400000000, 0.0307840200000000, 0.0348403100000000 ] - [ -0.0007754300000000, 0.0101079400000000, 0.0119586900000000 ] - [ -0.0006488900000000, 0.0101512300000000, 0.0120569300000000 ] - [ 0.0007836700000000, 0.0103288600000000, -0.0121342000000000 ] - [ 0.0006218200000000, 0.0101517300000000, -0.0121118800000000 ] - [ 0.0005735300000000, -0.0102168800000000, -0.0124774300000000 ] - [ 0.0007079700000000, -0.0101277800000000, -0.0121679600000000 ] - [ -0.0006411400000000, -0.0102034800000000, 0.0122257700000000 ] - [ -0.0006043600000000, -0.0101981000000000, 0.0120708500000000 ] - [ -0.0260639700000000, -0.0177802700000000, 0.0270894600000000 ] - [ -0.0119601000000000, -0.0001611900000000, 0.0166077600000000 ] - [ 0.0115253900000000, 0.0000400600000000, -0.0167535800000000 ] - [ 0.0115544900000000, -0.0000006000000000, -0.0166782800000000 ] - [ -0.0377658200000000, 0.0000920000000000, 0.0132419100000000 ] - [ -0.0377283000000000, 0.0000006000000000, 0.0130843000000000 ] - [ 0.0353190900000000, -0.0017364200000000, -0.0117315300000000 ] - [ 0.0374565400000000, 0.0000298700000000, -0.0129977800000000 ] - [ -0.0199494100000000, 0.0000546800000000, 0.0120613900000000 ] - [ -0.0199638400000000, -0.0000393400000000, 0.0120098400000000 ] - [ 0.0199366500000000, -0.0000054000000000, -0.0119825500000000 ] - [ 0.0199278400000000, -0.0000127000000000, -0.0119856600000000 ] - [ -0.0162153800000000, 0.0000341400000000, 0.0203503800000000 ] - [ -0.0162132800000000, 0.0000276700000000, 0.0201429800000000 ] - [ 0.0154127300000000, 0.0000885600000000, -0.0202560300000000 ] - [ 0.0162574000000000, 0.0000383700000000, -0.0203889800000000 ] - [ -0.0118576400000000, -0.0004640300000000, 0.0169606500000000 ] - [ -0.0115532700000000, 0.0000417900000000, 0.0167898300000000 ] - [ 0.0102633700000000, 0.0010423000000000, -0.0146793100000000 ] - [ 0.0115630300000000, -0.0000638100000000, -0.0168006300000000 ] - [ -0.0377566700000000, 0.0000769000000000, 0.0130245900000000 ] - [ -0.0378254000000000, -0.0000927700000000, 0.0130058800000000 ] - [ 0.0376295600000000, 0.0000103400000000, -0.0131476400000000 ] - [ 0.0377464700000000, 0.0000105600000000, -0.0131145000000000 ] - [ -0.0199668700000000, 0.0000033200000000, 0.0119594800000000 ] - [ -0.0199446200000000, -0.0000124200000000, 0.0119923200000000 ] - [ 0.0199117900000000, 0.0000126700000000, -0.0119935900000000 ] - [ 0.0198394800000000, -0.0000247300000000, -0.0119497200000000 ] - [ -0.0161591200000000, 0.0000736400000000, 0.0201787000000000 ] - [ -0.0162378100000000, -0.0000293500000000, 0.0202366000000000 ] - [ 0.0153290900000000, -0.0013269300000000, -0.0199400500000000 ] - [ 0.0161975800000000, 0.0000506800000000, -0.0202173800000000 ]- atom: 1 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ -0.0210959500000000, 0.0472966500000000, 0.1248824500000000 ] - [ 0.0405897100000000, 0.0522822400000000, -0.0057514900000000 ] - [ -0.0392615800000000, 0.0522544500000000, 0.0033583300000000 ] - [ -0.0412797300000000, 0.0525785700000000, 0.0067126800000000 ] - [ -0.0412990200000000, -0.0525314400000000, 0.0067970600000000 ] - [ -0.0413142400000000, -0.0526807800000000, 0.0066130200000000 ] - [ 0.0377681300000000, -0.0525430500000000, -0.0064852000000000 ] - [ 0.0393355300000000, -0.0525370400000000, -0.0049068000000000 ] - [ -0.0047286400000000, -0.0040075600000000, -0.0746103100000000 ] - [ -0.0292135900000000, -0.0109651700000000, 0.0072388100000000 ] - [ 0.0274904600000000, -0.0107700400000000, -0.0065080000000000 ] - [ 0.0292537400000000, -0.0108309500000000, -0.0071842700000000 ] - [ 0.0292988300000000, 0.0108860500000000, -0.0071557900000000 ] - [ 0.0292667600000000, 0.0108110400000000, -0.0071031000000000 ] - [ -0.0298700100000000, 0.0107596000000000, 0.0075763800000000 ] - [ -0.0290281900000000, 0.0112039500000000, 0.0078753400000000 ] - [ 0.0276984200000000, -0.0198352800000000, -0.0239762600000000 ] - [ 0.0129472700000000, -0.0003234600000000, -0.0113112300000000 ] - [ -0.0117331500000000, 0.0002282700000000, 0.0102066700000000 ] - [ -0.0116841700000000, -0.0000062500000000, 0.0106578500000000 ] - [ 0.0044627100000000, -0.0001361000000000, -0.0168549200000000 ] - [ 0.0043884900000000, 0.0000088600000000, -0.0169875300000000 ] - [ 0.0001608000000000, -0.0044940300000000, 0.0173446100000000 ] - [ -0.0041897600000000, 0.0000357600000000, 0.0170187800000000 ] - [ 0.0181380900000000, 0.0005258700000000, -0.0037375500000000 ] - [ 0.0179959600000000, -0.0000276600000000, -0.0035924300000000 ] - [ -0.0180516500000000, -0.0000148700000000, 0.0034675200000000 ] - [ -0.0180083500000000, 0.0000011600000000, 0.0034846200000000 ] - [ 0.0136576800000000, 0.0001340100000000, 0.0158824100000000 ] - [ 0.0139774900000000, 0.0001099900000000, 0.0151463800000000 ] - [ -0.0113747700000000, 0.0004017900000000, -0.0148662100000000 ] - [ -0.0136544500000000, 0.0000942900000000, -0.0148387800000000 ] - [ -0.0154777100000000, 0.0343683900000000, -0.0030396700000000 ] - [ -0.0154497600000000, 0.0343359200000000, -0.0030940900000000 ] - [ 0.0154538600000000, 0.0342914000000000, 0.0030272100000000 ] - [ 0.0153498900000000, 0.0341716500000000, 0.0029575000000000 ] - [ 0.0149344200000000, -0.0339986500000000, 0.0036101000000000 ] - [ 0.0154228200000000, -0.0342712000000000, 0.0029806200000000 ] - [ -0.0148503400000000, -0.0332062900000000, -0.0046454800000000 ] - [ -0.0154229800000000, -0.0343985600000000, -0.0031352800000000 ] - [ -0.0296305200000000, -0.0312389200000000, 0.0341200900000000 ] - [ -0.0296114100000000, -0.0311398600000000, 0.0338938100000000 ] - [ 0.0293870400000000, -0.0311025900000000, -0.0348786000000000 ] - [ 0.0294392000000000, -0.0311662600000000, -0.0346037300000000 ] - [ 0.0203616600000000, 0.0314373600000000, -0.0350044300000000 ] - [ 0.0294364400000000, 0.0310864200000000, -0.0345921200000000 ] - [ -0.0218971200000000, 0.0302803700000000, 0.0232805000000000 ] - [ -0.0295729700000000, 0.0309978700000000, 0.0341333500000000 ] - [ -0.0007096300000000, 0.0100947600000000, 0.0119593000000000 ] - [ -0.0005248600000000, 0.0100956600000000, 0.0129468600000000 ] - [ 0.0006475000000000, 0.0101103900000000, -0.0120900200000000 ] - [ 0.0005450100000000, 0.0099811800000000, -0.0120439600000000 ] - [ 0.0012775400000000, -0.0103405700000000, -0.0127732200000000 ] - [ 0.0006313000000000, -0.0101196400000000, -0.0120995000000000 ] - [ -0.0053239900000000, -0.0105202900000000, 0.0105777500000000 ] - [ -0.0006186300000000, -0.0102359900000000, 0.0120342100000000 ] - [ 0.0417932500000000, 0.0525479600000000, -0.0061996100000000 ] - [ 0.0412757900000000, 0.0524722700000000, -0.0063633500000000 ] - [ -0.0408593000000000, 0.0521369200000000, 0.0054007500000000 ] - [ -0.0415413300000000, 0.0518151600000000, 0.0051904000000000 ] - [ -0.0410272700000000, -0.0531594600000000, 0.0061594800000000 ] - [ -0.0411881800000000, -0.0526206000000000, 0.0066220900000000 ] - [ 0.0410149600000000, -0.0524158300000000, -0.0064181000000000 ] - [ 0.0412150500000000, -0.0525647800000000, -0.0065230600000000 ] - [ -0.0293168800000000, -0.0107821100000000, 0.0071666800000000 ] - [ -0.0291890800000000, -0.0106474900000000, 0.0073136800000000 ] - [ 0.0294470500000000, -0.0113084100000000, -0.0070578500000000 ] - [ 0.0294393000000000, -0.0102237200000000, -0.0067670100000000 ] - [ 0.0292735000000000, 0.0111330900000000, -0.0071472500000000 ] - [ 0.0293174800000000, 0.0108586300000000, -0.0070727800000000 ] - [ -0.0294360500000000, 0.0108534300000000, 0.0071506900000000 ] - [ -0.0292944300000000, 0.0107901900000000, 0.0071439000000000 ] - [ 0.0118857400000000, -0.0004388700000000, -0.0112562300000000 ] - [ 0.0117638000000000, 0.0001245400000000, -0.0109214100000000 ] - [ -0.0097623400000000, 0.0048164800000000, 0.0056961400000000 ] - [ -0.0117010700000000, 0.0002286000000000, 0.0103557000000000 ] - [ 0.0044231500000000, -0.0000176400000000, -0.0167763900000000 ] - [ 0.0043967700000000, -0.0000232900000000, -0.0173950300000000 ] - [ -0.0046607900000000, -0.0001261400000000, 0.0173244900000000 ] - [ -0.0044501400000000, 0.0000254500000000, 0.0170812000000000 ] - [ 0.0178083200000000, 0.0000255500000000, -0.0032960900000000 ] - [ 0.0179190300000000, 0.0000302900000000, -0.0034739900000000 ] - [ -0.0178453500000000, 0.0001171000000000, 0.0035920900000000 ] - [ -0.0178598300000000, -0.0001112400000000, 0.0035235800000000 ] - [ 0.0139873100000000, 0.0000394000000000, 0.0151690400000000 ] - [ 0.0140010900000000, -0.0000951600000000, 0.0149959000000000 ] - [ -0.0130431300000000, -0.0000324800000000, -0.0146015000000000 ] - [ -0.0136854400000000, -0.0001080300000000, -0.0150450800000000 ] - [ -0.0153622000000000, 0.0342585400000000, -0.0028906700000000 ] - [ -0.0153672900000000, 0.0342494400000000, -0.0030267700000000 ] - [ 0.0153994400000000, 0.0345875900000000, 0.0029648500000000 ] - [ 0.0154473500000000, 0.0341584400000000, 0.0029556500000000 ] - [ 0.0152193900000000, -0.0342984300000000, 0.0028556600000000 ] - [ 0.0154884200000000, -0.0343711100000000, 0.0030805900000000 ] - [ -0.0153165900000000, -0.0342823600000000, -0.0029835800000000 ] - [ -0.0153077100000000, -0.0342832200000000, -0.0030120900000000 ] - [ -0.0292212700000000, -0.0312389600000000, 0.0340120400000000 ] - [ -0.0294219500000000, -0.0311726600000000, 0.0343971300000000 ] - [ 0.0297637900000000, -0.0310479400000000, -0.0345244200000000 ] - [ 0.0295096300000000, -0.0311310300000000, -0.0345044400000000 ] - [ 0.0293968500000000, 0.0310568900000000, -0.0345813400000000 ] - [ 0.0293939300000000, 0.0309885600000000, -0.0346803300000000 ] - [ -0.0298089700000000, 0.0308639600000000, 0.0340411400000000 ] - [ -0.0294361300000000, 0.0313271600000000, 0.0340349600000000 ] - [ -0.0004844400000000, 0.0100942200000000, 0.0121598800000000 ] - [ -0.0006079300000000, 0.0100524700000000, 0.0120596000000000 ] - [ 0.0004769200000000, 0.0098793000000000, -0.0119766000000000 ] - [ 0.0006376200000000, 0.0100528200000000, -0.0120076700000000 ] - [ 0.0006938800000000, -0.0099851600000000, -0.0116483600000000 ] - [ 0.0005520800000000, -0.0100801900000000, -0.0119512900000000 ] - [ -0.0006191800000000, -0.0100016100000000, 0.0118896800000000 ] - [ -0.0006560900000000, -0.0100061900000000, 0.0120461500000000 ] - [ 0.0027004000000000, 0.0173169700000000, 0.0062470900000000 ] - [ -0.0111171900000000, 0.0001762600000000, 0.0167802700000000 ] - [ 0.0115534900000000, -0.0000458900000000, -0.0166328800000000 ] - [ 0.0115226000000000, -0.0000062500000000, -0.0167101400000000 ] - [ -0.0377402600000000, -0.0000867300000000, 0.0128859400000000 ] - [ -0.0377771300000000, 0.0000028800000000, 0.0130436100000000 ] - [ 0.0402166400000000, 0.0017608500000000, -0.0144257800000000 ] - [ 0.0380505800000000, -0.0000340100000000, -0.0131275000000000 ] - [ -0.0198729900000000, -0.0000579000000000, 0.0119511100000000 ] - [ -0.0198665100000000, 0.0000450900000000, 0.0120125300000000 ] - [ 0.0198934800000000, -0.0000010700000000, -0.0120380100000000 ] - [ 0.0199022600000000, 0.0000066100000000, -0.0120356400000000 ] - [ -0.0162049300000000, -0.0000245300000000, 0.0200660800000000 ] - [ -0.0162086300000000, -0.0000202100000000, 0.0202604100000000 ] - [ 0.0170303400000000, -0.0001093400000000, -0.0201532500000000 ] - [ 0.0161645200000000, -0.0000431900000000, -0.0200135800000000 ] - [ -0.0112229300000000, 0.0004702800000000, 0.0164279400000000 ] - [ -0.0115227000000000, -0.0000358000000000, 0.0165979000000000 ] - [ 0.0128334300000000, -0.0010667300000000, -0.0187202700000000 ] - [ 0.0115133600000000, 0.0000576100000000, -0.0165876300000000 ] - [ -0.0377476500000000, -0.0000739200000000, 0.0131007000000000 ] - [ -0.0376792500000000, 0.0000967800000000, 0.0131206100000000 ] - [ 0.0378724700000000, -0.0000132700000000, -0.0129805200000000 ] - [ 0.0377606100000000, -0.0000143200000000, -0.0130115300000000 ] - [ -0.0198640600000000, 0.0000025600000000, 0.0120615800000000 ] - [ -0.0198856800000000, 0.0000182700000000, 0.0120288400000000 ] - [ 0.0199185100000000, -0.0000183800000000, -0.0120316500000000 ] - [ 0.0199917400000000, 0.0000185600000000, -0.0120720000000000 ] - [ -0.0162611400000000, -0.0000656400000000, 0.0202234100000000 ] - [ -0.0161850400000000, 0.0000368500000000, 0.0201679500000000 ] - [ 0.0170993900000000, 0.0013336200000000, -0.0204476500000000 ] - [ 0.0162222000000000, -0.0000577600000000, -0.0201830300000000 ]- atom: 9 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0584766600000000, 0.0528281900000000, -0.0260051700000000 ] - [ 0.0413492600000000, 0.0525189000000000, -0.0066544400000000 ] - [ -0.0424913300000000, 0.0528354600000000, 0.0081124400000000 ] - [ -0.0412167300000000, 0.0525887200000000, 0.0066539000000000 ] - [ -0.0412422500000000, -0.0526429600000000, 0.0066000200000000 ] - [ -0.0411623900000000, -0.0525023400000000, 0.0066593700000000 ] - [ 0.0411639200000000, -0.0523142100000000, -0.0060217300000000 ] - [ 0.0412831100000000, -0.0526119800000000, -0.0068686300000000 ] - [ -0.1795755700000000, -0.0159206400000000, 0.0049327900000000 ] - [ -0.0296305600000000, -0.0110821500000000, 0.0072490900000000 ] - [ 0.0304094100000000, -0.0109253100000000, -0.0075866800000000 ] - [ 0.0292750900000000, -0.0107977400000000, -0.0070960500000000 ] - [ 0.0291564200000000, 0.0107021100000000, -0.0070999700000000 ] - [ 0.0290524400000000, 0.0108111500000000, -0.0070500300000000 ] - [ -0.0292590300000000, 0.0107967000000000, 0.0081658900000000 ] - [ -0.0300530200000000, 0.0085263700000000, 0.0091769100000000 ] - [ 0.0128059600000000, -0.0007198700000000, -0.0140098100000000 ] - [ 0.0117054800000000, -0.0000355100000000, -0.0111829500000000 ] - [ -0.0118108800000000, -0.0001884200000000, 0.0108549600000000 ] - [ -0.0117585800000000, 0.0000045500000000, 0.0107354000000000 ] - [ 0.0045098800000000, 0.0000011600000000, -0.0171482400000000 ] - [ 0.0044337800000000, 0.0000531400000000, -0.0170308900000000 ] - [ 0.0338694900000000, -0.0384936400000000, 0.0112756500000000 ] - [ -0.0038914300000000, -0.0001544000000000, 0.0167374700000000 ] - [ 0.0199515400000000, 0.0040933800000000, -0.0066973000000000 ] - [ 0.0179226700000000, -0.0004006600000000, -0.0036640800000000 ] - [ -0.0178914700000000, 0.0001106700000000, 0.0035216600000000 ] - [ -0.0179789400000000, 0.0000006800000000, 0.0035183300000000 ] - [ 0.0146468900000000, -0.0002615200000000, 0.0150718900000000 ] - [ 0.0141335400000000, -0.0001084200000000, 0.0151292500000000 ] - [ -0.0107611200000000, 0.0035336800000000, -0.0109571100000000 ] - [ -0.0137534500000000, -0.0001582700000000, -0.0151487000000000 ] - [ -0.0151877800000000, 0.0341544500000000, -0.0034747800000000 ] - [ -0.0146303500000000, 0.0336320200000000, -0.0036520700000000 ] - [ 0.0151848600000000, 0.0340559400000000, 0.0030712800000000 ] - [ 0.0153605900000000, 0.0343161400000000, 0.0032389400000000 ] - [ 0.0167888000000000, -0.0341373400000000, 0.0022963400000000 ] - [ 0.0153869400000000, -0.0342138700000000, 0.0030506600000000 ] - [ -0.0173744900000000, -0.0364551800000000, 0.0005515300000000 ] - [ -0.0153390600000000, -0.0339763000000000, -0.0031885400000000 ] - [ -0.0285127100000000, -0.0314021100000000, 0.0348882000000000 ] - [ -0.0294022600000000, -0.0312814900000000, 0.0340277200000000 ] - [ 0.0293380000000000, -0.0307533800000000, -0.0343604200000000 ] - [ 0.0294427500000000, -0.0308980800000000, -0.0339932100000000 ] - [ 0.0333418300000000, 0.0313259100000000, -0.0357150800000000 ] - [ 0.0294283000000000, 0.0309377200000000, -0.0344475000000000 ] - [ -0.0321784200000000, 0.0316324900000000, 0.0441099800000000 ] - [ -0.0294834600000000, 0.0311772000000000, 0.0345807300000000 ] - [ -0.0013720000000000, 0.0100281800000000, 0.0118149400000000 ] - [ 0.0004213700000000, 0.0203943700000000, 0.0099717300000000 ] - [ 0.0006396300000000, 0.0100785300000000, -0.0120549700000000 ] - [ 0.0006029500000000, 0.0102846400000000, -0.0119956900000000 ] - [ -0.0003846100000000, -0.0098254300000000, -0.0117544900000000 ] - [ 0.0006577500000000, -0.0100606000000000, -0.0120875000000000 ] - [ 0.0674227200000000, 0.0064607500000000, 0.0342450200000000 ] - [ -0.0004857800000000, -0.0103573800000000, 0.0120876100000000 ] - [ 0.0413236200000000, 0.0524840900000000, -0.0066899300000000 ] - [ 0.0413084400000000, 0.0526254300000000, -0.0065637200000000 ] - [ -0.0412534500000000, 0.0525768800000000, 0.0064483300000000 ] - [ -0.0414126400000000, 0.0524184100000000, 0.0063961100000000 ] - [ -0.0414286600000000, -0.0526078700000000, 0.0065678300000000 ] - [ -0.0413294100000000, -0.0527100000000000, 0.0065546200000000 ] - [ 0.0411738100000000, -0.0524889800000000, -0.0064766600000000 ] - [ 0.0411550300000000, -0.0525735900000000, -0.0066318300000000 ] - [ -0.0290006600000000, -0.0108249900000000, 0.0071490500000000 ] - [ -0.0289986000000000, -0.0108804200000000, 0.0072348500000000 ] - [ 0.0292457200000000, -0.0112196500000000, -0.0069379500000000 ] - [ 0.0292457500000000, -0.0106627800000000, -0.0071606100000000 ] - [ 0.0292905200000000, 0.0107173900000000, -0.0072410000000000 ] - [ 0.0291816400000000, 0.0108287800000000, -0.0072953300000000 ] - [ -0.0295632800000000, 0.0108734900000000, 0.0072448100000000 ] - [ -0.0290907700000000, 0.0108319200000000, 0.0071641300000000 ] - [ 0.0119769200000000, -0.0001362300000000, -0.0108306400000000 ] - [ 0.0117991100000000, 0.0000221400000000, -0.0107571300000000 ] - [ -0.0112954800000000, 0.0004134600000000, 0.0104849900000000 ] - [ -0.0114394300000000, 0.0000921800000000, 0.0106877600000000 ] - [ 0.0044350800000000, 0.0001296400000000, -0.0170765500000000 ] - [ 0.0046037300000000, -0.0001334900000000, -0.0169849200000000 ] - [ -0.0043854200000000, 0.0000139100000000, 0.0169512200000000 ] - [ -0.0045630000000000, -0.0000380000000000, 0.0171061700000000 ] - [ 0.0180043800000000, 0.0001528700000000, -0.0038981400000000 ] - [ 0.0180272800000000, -0.0001053000000000, -0.0034763600000000 ] - [ -0.0184586200000000, -0.0003966900000000, 0.0032971700000000 ] - [ -0.0180292200000000, 0.0000967100000000, 0.0036371600000000 ] - [ 0.0139528100000000, -0.0000063900000000, 0.0152484000000000 ] - [ 0.0139511100000000, 0.0000075100000000, 0.0150825100000000 ] - [ -0.0141743600000000, -0.0001437200000000, -0.0149566800000000 ] - [ -0.0138459500000000, 0.0000399200000000, -0.0150625400000000 ] - [ -0.0152479900000000, 0.0341702800000000, -0.0031352300000000 ] - [ -0.0154273100000000, 0.0341673300000000, -0.0030906600000000 ] - [ 0.0157469300000000, 0.0343109000000000, 0.0033365100000000 ] - [ 0.0157452100000000, 0.0343427600000000, 0.0031205100000000 ] - [ 0.0152754100000000, -0.0345790900000000, 0.0018619300000000 ] - [ 0.0155017100000000, -0.0347479000000000, 0.0033750500000000 ] - [ -0.0155219000000000, -0.0343158400000000, -0.0030340300000000 ] - [ -0.0153370500000000, -0.0341892900000000, -0.0029968300000000 ] - [ -0.0295204100000000, -0.0310308500000000, 0.0344268000000000 ] - [ -0.0294058600000000, -0.0311368200000000, 0.0344400200000000 ] - [ 0.0293710500000000, -0.0310282500000000, -0.0344437400000000 ] - [ 0.0294171100000000, -0.0310067600000000, -0.0344375800000000 ] - [ 0.0294241700000000, 0.0310061600000000, -0.0346331100000000 ] - [ 0.0294760000000000, 0.0310655400000000, -0.0343506900000000 ] - [ -0.0295857200000000, 0.0310352000000000, 0.0344295100000000 ] - [ -0.0295565100000000, 0.0312130100000000, 0.0342696800000000 ] - [ -0.0002262200000000, 0.0101734300000000, 0.0119609000000000 ] - [ -0.0004830300000000, 0.0102599900000000, 0.0120765300000000 ] - [ 0.0004002600000000, 0.0104093600000000, -0.0119491700000000 ] - [ 0.0006138400000000, 0.0103782300000000, -0.0119316700000000 ] - [ 0.0010078400000000, -0.0097270000000000, -0.0128151900000000 ] - [ 0.0006432700000000, -0.0099949000000000, -0.0121782500000000 ] - [ -0.0007038600000000, -0.0099289000000000, 0.0121875600000000 ] - [ -0.0006024500000000, -0.0103066700000000, 0.0121517900000000 ] - [ -0.0112761100000000, 0.0003438000000000, 0.0155511500000000 ] - [ -0.0115296500000000, -0.0000135800000000, 0.0165267100000000 ] - [ 0.0115383500000000, -0.0000038300000000, -0.0166874900000000 ] - [ 0.0115382800000000, 0.0000301200000000, -0.0167091600000000 ] - [ -0.0377610200000000, 0.0000631900000000, 0.0131088200000000 ] - [ -0.0377236400000000, 0.0000120800000000, 0.0130530700000000 ] - [ 0.0504736600000000, 0.0140646600000000, -0.0157315500000000 ] - [ 0.0377733700000000, 0.0005844500000000, -0.0130558100000000 ] - [ -0.0193226200000000, 0.0005306600000000, 0.0104044000000000 ] - [ -0.0199412900000000, -0.0000525100000000, 0.0120890700000000 ] - [ 0.0198775200000000, -0.0000199100000000, -0.0120090700000000 ] - [ 0.0198926500000000, -0.0000356000000000, -0.0120144000000000 ] - [ -0.0162245100000000, 0.0000163900000000, 0.0200899000000000 ] - [ -0.0162499700000000, -0.0000862800000000, 0.0201986500000000 ] - [ 0.0187126000000000, -0.0012186100000000, -0.0175311700000000 ] - [ 0.0161891000000000, -0.0000538600000000, -0.0202763000000000 ] - [ -0.0114860700000000, 0.0001660800000000, 0.0167815400000000 ] - [ -0.0115302500000000, 0.0000305400000000, 0.0166671800000000 ] - [ 0.0116027500000000, -0.0003995700000000, -0.0166910500000000 ] - [ 0.0115852800000000, 0.0001560700000000, -0.0168133500000000 ] - [ -0.0377352200000000, -0.0000573900000000, 0.0131431700000000 ] - [ -0.0377322500000000, 0.0000029900000000, 0.0130288400000000 ] - [ 0.0391139000000000, 0.0003507800000000, -0.0134113600000000 ] - [ 0.0378574400000000, 0.0000025300000000, -0.0130859500000000 ] - [ -0.0199912400000000, 0.0001002200000000, 0.0119566900000000 ] - [ -0.0199431500000000, -0.0000034300000000, 0.0119933400000000 ] - [ 0.0197873500000000, 0.0001146100000000, -0.0120355200000000 ] - [ 0.0198798700000000, 0.0001384300000000, -0.0117986000000000 ] - [ -0.0162172400000000, 0.0000262300000000, 0.0201861200000000 ] - [ -0.0162212500000000, 0.0000173200000000, 0.0201755600000000 ] - [ 0.0161123300000000, 0.0000650800000000, -0.0201290000000000 ] - [ 0.0162061100000000, -0.0000121800000000, -0.0202138000000000 ]- atom: 9 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0240228300000000, 0.0523361100000000, 0.0127944000000000 ] - [ 0.0411474400000000, 0.0526078300000000, -0.0066399500000000 ] - [ -0.0400127600000000, 0.0522924900000000, 0.0051953800000000 ] - [ -0.0412818000000000, 0.0525365400000000, 0.0066403000000000 ] - [ -0.0412575600000000, -0.0524823500000000, 0.0066955600000000 ] - [ -0.0413376000000000, -0.0526247200000000, 0.0066383300000000 ] - [ 0.0413204900000000, -0.0528150800000000, -0.0072670600000000 ] - [ 0.0412157200000000, -0.0525061100000000, -0.0064242600000000 ] - [ 0.1230182000000000, -0.0038990500000000, 0.0107594000000000 ] - [ -0.0288755800000000, -0.0105574100000000, 0.0070121500000000 ] - [ 0.0280993400000000, -0.0107217500000000, -0.0066710800000000 ] - [ 0.0292263000000000, -0.0108448000000000, -0.0071555000000000 ] - [ 0.0293452900000000, 0.0109394900000000, -0.0071539200000000 ] - [ 0.0294534000000000, 0.0108343800000000, -0.0072040500000000 ] - [ -0.0292705000000000, 0.0108337200000000, 0.0061136600000000 ] - [ -0.0284992400000000, 0.0132001900000000, 0.0050652900000000 ] - [ 0.0106511400000000, 0.0007066400000000, -0.0074260100000000 ] - [ 0.0117345700000000, 0.0000353400000000, -0.0103014700000000 ] - [ -0.0116322800000000, 0.0001868600000000, 0.0106255000000000 ] - [ -0.0116800800000000, -0.0000025000000000, 0.0107465900000000 ] - [ 0.0043189100000000, 0.0000015200000000, -0.0169371000000000 ] - [ 0.0043986900000000, -0.0000535100000000, -0.0170532900000000 ] - [ -0.0418544800000000, 0.0371205700000000, 0.0225313700000000 ] - [ -0.0049150400000000, 0.0001504500000000, 0.0173359000000000 ] - [ 0.0158819300000000, -0.0041041700000000, -0.0004581700000000 ] - [ 0.0179222400000000, 0.0004074700000000, -0.0034555200000000 ] - [ -0.0179545900000000, -0.0001121200000000, 0.0035865000000000 ] - [ -0.0178697600000000, -0.0000021600000000, 0.0035918100000000 ] - [ 0.0131969200000000, 0.0002635600000000, 0.0152234400000000 ] - [ 0.0137097400000000, 0.0001051000000000, 0.0151669400000000 ] - [ -0.0170414500000000, -0.0034952500000000, -0.0192725600000000 ] - [ -0.0140813200000000, 0.0001561200000000, -0.0151486900000000 ] - [ -0.0156067600000000, 0.0343276100000000, -0.0026505600000000 ] - [ -0.0161883500000000, 0.0348334500000000, -0.0024279200000000 ] - [ 0.0156140300000000, 0.0344239400000000, 0.0030522100000000 ] - [ 0.0154428000000000, 0.0341687600000000, 0.0028919400000000 ] - [ 0.0140002700000000, -0.0343596600000000, 0.0038128200000000 ] - [ 0.0154090500000000, -0.0342661900000000, 0.0030748400000000 ] - [ -0.0134464900000000, -0.0320127500000000, -0.0066598600000000 ] - [ -0.0154605200000000, -0.0345031400000000, -0.0029335200000000 ] - [ -0.0304313100000000, -0.0307210200000000, 0.0339934100000000 ] - [ -0.0295614900000000, -0.0308380100000000, 0.0348451600000000 ] - [ 0.0296108700000000, -0.0313707800000000, -0.0345135600000000 ] - [ 0.0295096200000000, -0.0312221600000000, -0.0348790800000000 ] - [ 0.0256265000000000, 0.0307993500000000, -0.0331596200000000 ] - [ 0.0295232100000000, 0.0311864100000000, -0.0344296200000000 ] - [ -0.0268428500000000, 0.0304971200000000, 0.0247592800000000 ] - [ -0.0294645500000000, 0.0309523800000000, 0.0342953700000000 ] - [ 0.0000956500000000, 0.0101799900000000, 0.0123019900000000 ] - [ -0.0017428800000000, -0.0002901000000000, 0.0140784200000000 ] - [ 0.0006198300000000, 0.0101249900000000, -0.0120629500000000 ] - [ 0.0006552400000000, 0.0099214500000000, -0.0121197500000000 ] - [ 0.0016309900000000, -0.0103756400000000, -0.0123629000000000 ] - [ 0.0006025100000000, -0.0101433300000000, -0.0120305600000000 ] - [ -0.0716680000000000, -0.0277790500000000, -0.0114003700000000 ] - [ -0.0007810400000000, -0.0098538600000000, 0.0120259900000000 ] - [ 0.0411774800000000, 0.0526458900000000, -0.0066063900000000 ] - [ 0.0411935300000000, 0.0524996400000000, -0.0067386900000000 ] - [ -0.0412453700000000, 0.0525527000000000, 0.0068517800000000 ] - [ -0.0410885900000000, 0.0527125300000000, 0.0069083200000000 ] - [ -0.0410715300000000, -0.0525198200000000, 0.0067290500000000 ] - [ -0.0411701100000000, -0.0524176100000000, 0.0067416900000000 ] - [ 0.0413257600000000, -0.0526381000000000, -0.0068184600000000 ] - [ 0.0413450300000000, -0.0525546700000000, -0.0066644300000000 ] - [ -0.0295043100000000, -0.0108097800000000, 0.0071112200000000 ] - [ -0.0295017700000000, -0.0107632900000000, 0.0070187000000000 ] - [ 0.0292541500000000, -0.0104180400000000, -0.0073146000000000 ] - [ 0.0292528000000000, -0.0109825000000000, -0.0070892000000000 ] - [ 0.0292126400000000, 0.0109255200000000, -0.0070139400000000 ] - [ 0.0293238700000000, 0.0108180700000000, -0.0069590500000000 ] - [ -0.0289433800000000, 0.0107690200000000, 0.0070067800000000 ] - [ -0.0294122200000000, 0.0108116400000000, 0.0070901800000000 ] - [ 0.0114767700000000, 0.0001425000000000, -0.0106476000000000 ] - [ 0.0116420200000000, -0.0000216700000000, -0.0107226100000000 ] - [ -0.0121457300000000, -0.0004201200000000, 0.0109999700000000 ] - [ -0.0120012300000000, -0.0000937000000000, 0.0107901000000000 ] - [ 0.0043961300000000, -0.0001281000000000, -0.0170042900000000 ] - [ 0.0042223100000000, 0.0001293600000000, -0.0170942500000000 ] - [ -0.0044496100000000, -0.0000209600000000, 0.0171291500000000 ] - [ -0.0042658000000000, 0.0000376000000000, 0.0169757300000000 ] - [ 0.0178178600000000, -0.0001533600000000, -0.0032419900000000 ] - [ 0.0178228300000000, 0.0001056000000000, -0.0036336600000000 ] - [ -0.0174031800000000, 0.0004159600000000, 0.0038456100000000 ] - [ -0.0178204500000000, -0.0000993300000000, 0.0034714000000000 ] - [ 0.0138900100000000, 0.0000059900000000, 0.0150475900000000 ] - [ 0.0138938200000000, -0.0000082800000000, 0.0152139000000000 ] - [ -0.0136653400000000, 0.0001567400000000, -0.0153367200000000 ] - [ -0.0139988700000000, -0.0000405800000000, -0.0152331100000000 ] - [ -0.0155472000000000, 0.0343074100000000, -0.0029927400000000 ] - [ -0.0153672600000000, 0.0343148200000000, -0.0030341900000000 ] - [ 0.0150601000000000, 0.0341682200000000, 0.0027889300000000 ] - [ 0.0150505400000000, 0.0341414100000000, 0.0030043200000000 ] - [ 0.0155102900000000, -0.0338919800000000, 0.0042699400000000 ] - [ 0.0153020900000000, -0.0337387400000000, 0.0027515200000000 ] - [ -0.0152756400000000, -0.0341691200000000, -0.0030894800000000 ] - [ -0.0154637100000000, -0.0342890000000000, -0.0031278500000000 ] - [ -0.0294271300000000, -0.0310919300000000, 0.0344533900000000 ] - [ -0.0295448100000000, -0.0309853100000000, 0.0344372100000000 ] - [ 0.0295778200000000, -0.0310950000000000, -0.0344335100000000 ] - [ 0.0295326400000000, -0.0311157400000000, -0.0344394200000000 ] - [ 0.0295272400000000, 0.0311168000000000, -0.0342458000000000 ] - [ 0.0294747200000000, 0.0310568100000000, -0.0345271600000000 ] - [ -0.0293635400000000, 0.0310862700000000, 0.0344473500000000 ] - [ -0.0293864800000000, 0.0309071400000000, 0.0346097700000000 ] - [ -0.0010202100000000, 0.0100235300000000, 0.0121534900000000 ] - [ -0.0007714700000000, 0.0099424000000000, 0.0120385800000000 ] - [ 0.0008578100000000, 0.0097975100000000, -0.0121654900000000 ] - [ 0.0006431200000000, 0.0098215100000000, -0.0121881000000000 ] - [ 0.0002512800000000, -0.0104789200000000, -0.0113092900000000 ] - [ 0.0006175700000000, -0.0102063300000000, -0.0119360100000000 ] - [ -0.0005518200000000, -0.0102781600000000, 0.0119255000000000 ] - [ -0.0006582900000000, -0.0098972700000000, 0.0119662600000000 ] - [ -0.0118034600000000, -0.0003539000000000, 0.0178577100000000 ] - [ -0.0115468800000000, 0.0000204300000000, 0.0168585000000000 ] - [ 0.0115386700000000, -0.0000028600000000, -0.0166996600000000 ] - [ 0.0115400300000000, -0.0000361400000000, -0.0166778200000000 ] - [ -0.0377491400000000, -0.0000608400000000, 0.0130144900000000 ] - [ -0.0377874000000000, -0.0000082300000000, 0.0130700900000000 ] - [ 0.0254051300000000, -0.0134496700000000, -0.0104844700000000 ] - [ 0.0377494700000000, -0.0005928500000000, -0.0130636000000000 ] - [ -0.0204904100000000, -0.0005265400000000, 0.0136243800000000 ] - [ -0.0198859600000000, 0.0000578200000000, 0.0119357100000000 ] - [ 0.0199573900000000, 0.0000140700000000, -0.0120148900000000 ] - [ 0.0199350700000000, 0.0000296300000000, -0.0120097700000000 ] - [ -0.0162012300000000, -0.0000085100000000, 0.0203203000000000 ] - [ -0.0161770900000000, 0.0000935200000000, 0.0202121700000000 ] - [ 0.0137139500000000, 0.0012023600000000, -0.0228905700000000 ] - [ 0.0162379600000000, 0.0000466500000000, -0.0201338300000000 ] - [ -0.0115896100000000, -0.0001567200000000, 0.0166099600000000 ] - [ -0.0115474200000000, -0.0000259700000000, 0.0167207600000000 ] - [ 0.0114746300000000, 0.0004006700000000, -0.0166933100000000 ] - [ 0.0114935300000000, -0.0001606500000000, -0.0165742000000000 ] - [ -0.0377742100000000, 0.0000620800000000, 0.0129773600000000 ] - [ -0.0377801800000000, 0.0000002000000000, 0.0130951800000000 ] - [ 0.0364138000000000, -0.0003429000000000, -0.0127102900000000 ] - [ 0.0376541700000000, -0.0000058300000000, -0.0130373000000000 ] - [ -0.0198361200000000, -0.0000951100000000, 0.0120673700000000 ] - [ -0.0198853000000000, 0.0000078300000000, 0.0120306600000000 ] - [ 0.0200360800000000, -0.0001276600000000, -0.0119855200000000 ] - [ 0.0199482500000000, -0.0001452100000000, -0.0122285800000000 ] - [ -0.0162088600000000, -0.0000187500000000, 0.0202237000000000 ] - [ -0.0162052000000000, -0.0000098400000000, 0.0202354200000000 ] - [ 0.0163162100000000, -0.0000707800000000, -0.0202785600000000 ] - [ 0.0162215100000000, 0.0000053400000000, -0.0201958800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0412020400000000, 0.0619412300000000, -0.0140648600000000 ] - [ 0.0412508600000000, 0.0525460700000000, -0.0065027600000000 ] - [ -0.0413738200000000, 0.0523115900000000, 0.0066726000000000 ] - [ -0.0412196400000000, 0.0525901400000000, 0.0066471200000000 ] - [ -0.0411565500000000, -0.0523930100000000, 0.0066096100000000 ] - [ -0.0412829900000000, -0.0524945300000000, 0.0066499600000000 ] - [ 0.0412173100000000, -0.0540159800000000, -0.0067168400000000 ] - [ 0.0412234400000000, -0.0538635300000000, -0.0062794000000000 ] - [ -0.0367136500000000, -0.1445440100000000, 0.0053412100000000 ] - [ -0.0295150100000000, -0.0097600400000000, 0.0075073000000000 ] - [ 0.0293594400000000, -0.0109770800000000, -0.0072667100000000 ] - [ 0.0292283300000000, -0.0106968700000000, -0.0071532600000000 ] - [ 0.0291331500000000, 0.0107212300000000, -0.0070984300000000 ] - [ 0.0292415600000000, 0.0107590600000000, -0.0071534300000000 ] - [ -0.0292452400000000, 0.0179019800000000, 0.0072179100000000 ] - [ -0.0269115900000000, 0.0250979900000000, 0.0077459300000000 ] - [ 0.0105397300000000, 0.0005205200000000, -0.0050578600000000 ] - [ 0.0118022200000000, 0.0000302500000000, -0.0105583700000000 ] - [ -0.0120002500000000, -0.0000487700000000, 0.0105996400000000 ] - [ -0.0117418100000000, -0.0000058600000000, 0.0107687000000000 ] - [ 0.0043688400000000, 0.0000864400000000, -0.0170907100000000 ] - [ 0.0044635900000000, -0.0000629000000000, -0.0170748100000000 ] - [ -0.0352763900000000, 0.0513656400000000, 0.0226031600000000 ] - [ -0.0045916400000000, 0.0006572700000000, 0.0170584100000000 ] - [ 0.0199984300000000, 0.0021986800000000, -0.0086454600000000 ] - [ 0.0182774800000000, 0.0001398000000000, -0.0038058700000000 ] - [ -0.0178070200000000, 0.0000286600000000, 0.0036149700000000 ] - [ -0.0178568500000000, -0.0000875100000000, 0.0035876600000000 ] - [ 0.0135756400000000, 0.0000790800000000, 0.0153011700000000 ] - [ 0.0139278400000000, -0.0000130100000000, 0.0154911500000000 ] - [ -0.0118847000000000, 0.0008357900000000, -0.0132725500000000 ] - [ -0.0139307200000000, -0.0001697100000000, -0.0149120200000000 ] - [ -0.0153659900000000, 0.0340624900000000, -0.0032269400000000 ] - [ -0.0152707100000000, 0.0348412100000000, -0.0035402700000000 ] - [ 0.0152259500000000, 0.0340825900000000, 0.0030625700000000 ] - [ 0.0153509100000000, 0.0339988200000000, 0.0029538300000000 ] - [ 0.0159578200000000, -0.0343166200000000, 0.0020700200000000 ] - [ 0.0152940500000000, -0.0341239800000000, 0.0030355900000000 ] - [ -0.0171717000000000, -0.0347668400000000, -0.0013621200000000 ] - [ -0.0153310600000000, -0.0345090200000000, -0.0033664100000000 ] - [ -0.0296614100000000, -0.0303792300000000, 0.0342593300000000 ] - [ -0.0290772100000000, -0.0300448200000000, 0.0348065900000000 ] - [ 0.0295609000000000, -0.0315326300000000, -0.0342848200000000 ] - [ 0.0292848900000000, -0.0316112000000000, -0.0350284500000000 ] - [ 0.0301078300000000, 0.0321712100000000, -0.0346637500000000 ] - [ 0.0294032000000000, 0.0312759300000000, -0.0343474100000000 ] - [ -0.0285970700000000, 0.0279048400000000, 0.0360258700000000 ] - [ -0.0294473000000000, 0.0309964800000000, 0.0343125500000000 ] - [ -0.0008743400000000, 0.0093417600000000, 0.0119524200000000 ] - [ 0.0016984200000000, 0.0143026200000000, 0.0127835400000000 ] - [ 0.0007482300000000, 0.0101353300000000, -0.0120540400000000 ] - [ 0.0006808300000000, 0.0101766600000000, -0.0121761700000000 ] - [ 0.0000524800000000, -0.0099474000000000, -0.0118752300000000 ] - [ 0.0006451200000000, -0.0101620100000000, -0.0120167600000000 ] - [ 0.0105489500000000, 0.0039103600000000, 0.0168584300000000 ] - [ -0.0001954600000000, -0.0101809100000000, 0.0124051100000000 ] - [ 0.0412749200000000, 0.0528460300000000, -0.0068215700000000 ] - [ 0.0413196500000000, 0.0528001300000000, -0.0066686400000000 ] - [ -0.0412496200000000, 0.0525277500000000, 0.0072762600000000 ] - [ -0.0415636600000000, 0.0516456700000000, 0.0060414800000000 ] - [ -0.0410010100000000, -0.0516862100000000, 0.0063965400000000 ] - [ -0.0413076700000000, -0.0522553200000000, 0.0065911200000000 ] - [ 0.0413349200000000, -0.0531485400000000, -0.0065868400000000 ] - [ 0.0413109100000000, -0.0525447800000000, -0.0066620700000000 ] - [ -0.0293129500000000, -0.0108547400000000, 0.0072071100000000 ] - [ -0.0292596100000000, -0.0108564200000000, 0.0070186300000000 ] - [ 0.0290887800000000, -0.0105973200000000, -0.0072164600000000 ] - [ 0.0296518000000000, -0.0106017900000000, -0.0070679800000000 ] - [ 0.0291449800000000, 0.0106727100000000, -0.0068997700000000 ] - [ 0.0292571100000000, 0.0108173500000000, -0.0068272800000000 ] - [ -0.0293062600000000, 0.0107649300000000, 0.0072510500000000 ] - [ -0.0292620600000000, 0.0105772300000000, 0.0071184600000000 ] - [ 0.0112796100000000, 0.0001096400000000, -0.0102302000000000 ] - [ 0.0117093500000000, -0.0000208000000000, -0.0106884000000000 ] - [ -0.0112439000000000, 0.0010076700000000, 0.0102395500000000 ] - [ -0.0118756000000000, -0.0002198300000000, 0.0108291700000000 ] - [ 0.0045182000000000, 0.0001664300000000, -0.0169933000000000 ] - [ 0.0046186200000000, -0.0000074800000000, -0.0174129700000000 ] - [ -0.0043306200000000, -0.0000022700000000, 0.0167336100000000 ] - [ -0.0044239200000000, 0.0000224800000000, 0.0169674700000000 ] - [ 0.0181591600000000, 0.0002201200000000, -0.0037954900000000 ] - [ 0.0180903000000000, -0.0000565000000000, -0.0034838900000000 ] - [ -0.0174585300000000, -0.0002207400000000, 0.0033684900000000 ] - [ -0.0178238200000000, 0.0000328500000000, 0.0035634400000000 ] - [ 0.0139562000000000, -0.0000090000000000, 0.0152383200000000 ] - [ 0.0138790400000000, 0.0000106300000000, 0.0152460400000000 ] - [ -0.0145756400000000, 0.0000663300000000, -0.0154379400000000 ] - [ -0.0140393400000000, 0.0000165700000000, -0.0150943000000000 ] - [ -0.0155136100000000, 0.0343261000000000, -0.0031687500000000 ] - [ -0.0153593300000000, 0.0342832300000000, -0.0031040300000000 ] - [ 0.0152442400000000, 0.0324497500000000, 0.0032769300000000 ] - [ 0.0151399000000000, 0.0343043400000000, 0.0030266300000000 ] - [ 0.0159734200000000, -0.0337649200000000, 0.0027051800000000 ] - [ 0.0153183000000000, -0.0333845700000000, 0.0024130100000000 ] - [ -0.0154298600000000, -0.0342082600000000, -0.0031494000000000 ] - [ -0.0155331400000000, -0.0343694900000000, -0.0030275400000000 ] - [ -0.0294126600000000, -0.0308577100000000, 0.0344844500000000 ] - [ -0.0295582800000000, -0.0310029200000000, 0.0343495000000000 ] - [ 0.0293960000000000, -0.0310859300000000, -0.0344630700000000 ] - [ 0.0294907100000000, -0.0311282900000000, -0.0344746100000000 ] - [ 0.0296015200000000, 0.0311442900000000, -0.0343640800000000 ] - [ 0.0293757100000000, 0.0311061200000000, -0.0344187900000000 ] - [ -0.0294019600000000, 0.0310198300000000, 0.0344829800000000 ] - [ -0.0294130000000000, 0.0310002800000000, 0.0345960400000000 ] - [ -0.0000695600000000, 0.0099872400000000, 0.0118854100000000 ] - [ -0.0004474400000000, 0.0100972900000000, 0.0120335600000000 ] - [ 0.0003606000000000, 0.0103835800000000, -0.0115665300000000 ] - [ 0.0006947700000000, 0.0098157100000000, -0.0122671600000000 ] - [ 0.0005097900000000, -0.0097610100000000, -0.0122796800000000 ] - [ 0.0005544800000000, -0.0106634000000000, -0.0116082900000000 ] - [ 0.0000571800000000, -0.0098867600000000, 0.0119053300000000 ] - [ -0.0008442500000000, -0.0100572000000000, 0.0120762700000000 ] - [ -0.0107382400000000, -0.0003070800000000, 0.0149566500000000 ] - [ -0.0114453400000000, -0.0000625400000000, 0.0164526700000000 ] - [ 0.0116833000000000, 0.0000102300000000, -0.0166940100000000 ] - [ 0.0115247800000000, -0.0000052800000000, -0.0166734000000000 ] - [ -0.0377145000000000, 0.0000025400000000, 0.0130837700000000 ] - [ -0.0378140500000000, -0.0000212800000000, 0.0130918700000000 ] - [ 0.0557041200000000, 0.0337864000000000, -0.0166112800000000 ] - [ 0.0386431400000000, 0.0003688000000000, -0.0131680100000000 ] - [ -0.0195260600000000, -0.0003693100000000, 0.0140976400000000 ] - [ -0.0199250600000000, -0.0002088300000000, 0.0120289100000000 ] - [ 0.0198649100000000, 0.0000109300000000, -0.0120780500000000 ] - [ 0.0198335800000000, -0.0000030400000000, -0.0120098800000000 ] - [ -0.0161665500000000, -0.0000431100000000, 0.0201479500000000 ] - [ -0.0162520300000000, 0.0000816800000000, 0.0201684600000000 ] - [ 0.0152684700000000, -0.0007865900000000, -0.0226642800000000 ] - [ 0.0162698400000000, -0.0000569300000000, -0.0201738500000000 ] - [ -0.0113350100000000, 0.0000271700000000, 0.0167448300000000 ] - [ -0.0115481700000000, -0.0000476800000000, 0.0167076600000000 ] - [ 0.0109748700000000, 0.0005759100000000, -0.0163809900000000 ] - [ 0.0114754300000000, -0.0001344000000000, -0.0165846500000000 ] - [ -0.0379287300000000, -0.0000567800000000, 0.0130920900000000 ] - [ -0.0377963400000000, -0.0000213800000000, 0.0130637000000000 ] - [ 0.0383325500000000, 0.0002257600000000, -0.0131133700000000 ] - [ 0.0377379600000000, 0.0000290800000000, -0.0130978800000000 ] - [ -0.0199826100000000, 0.0000428600000000, 0.0119734200000000 ] - [ -0.0199248000000000, -0.0000044800000000, 0.0120108500000000 ] - [ 0.0197008400000000, -0.0000420800000000, -0.0120635500000000 ] - [ 0.0198863800000000, -0.0000689200000000, -0.0120110100000000 ] - [ -0.0162202800000000, 0.0000021100000000, 0.0201432500000000 ] - [ -0.0162309900000000, 0.0000010200000000, 0.0202275000000000 ] - [ 0.0162431000000000, -0.0002458100000000, -0.0203364900000000 ] - [ 0.0162433300000000, 0.0000467200000000, -0.0202202000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0414588000000000, 0.0432414700000000, 0.0003832700000000 ] - [ 0.0412487200000000, 0.0525875100000000, -0.0068026900000000 ] - [ -0.0411353400000000, 0.0528152900000000, 0.0066380500000000 ] - [ -0.0412804800000000, 0.0525352800000000, 0.0066476500000000 ] - [ -0.0413427900000000, -0.0527295800000000, 0.0066861900000000 ] - [ -0.0412198000000000, -0.0526326100000000, 0.0066482300000000 ] - [ 0.0412725800000000, -0.0511268300000000, -0.0065765300000000 ] - [ 0.0412873400000000, -0.0512675900000000, -0.0070332600000000 ] - [ -0.0247188800000000, 0.1233702400000000, 0.0098549600000000 ] - [ -0.0289864000000000, -0.0118835800000000, 0.0067425100000000 ] - [ 0.0291540600000000, -0.0106681400000000, -0.0069901000000000 ] - [ 0.0292742200000000, -0.0109444400000000, -0.0071000800000000 ] - [ 0.0293697000000000, 0.0109202100000000, -0.0071551800000000 ] - [ 0.0292637300000000, 0.0108835400000000, -0.0071002200000000 ] - [ -0.0292808800000000, 0.0038946300000000, 0.0070358500000000 ] - [ -0.0315795700000000, -0.0037410100000000, 0.0064940300000000 ] - [ 0.0128956400000000, -0.0005144600000000, -0.0163855600000000 ] - [ 0.0116354500000000, -0.0000231400000000, -0.0109171800000000 ] - [ -0.0114447300000000, 0.0000461300000000, 0.0108806000000000 ] - [ -0.0116965200000000, 0.0000065700000000, 0.0107156100000000 ] - [ 0.0044615000000000, -0.0000852700000000, -0.0169949500000000 ] - [ 0.0043669500000000, 0.0000614700000000, -0.0170098500000000 ] - [ 0.0281618400000000, -0.0530765400000000, 0.0110893100000000 ] - [ -0.0042447700000000, -0.0006498500000000, 0.0170281100000000 ] - [ 0.0158185100000000, -0.0022417300000000, 0.0014800800000000 ] - [ 0.0175652300000000, -0.0001380600000000, -0.0032929600000000 ] - [ -0.0180389700000000, -0.0000284600000000, 0.0034943400000000 ] - [ -0.0179911400000000, 0.0000864400000000, 0.0035219300000000 ] - [ 0.0142623400000000, -0.0000732200000000, 0.0149945600000000 ] - [ 0.0139149700000000, 0.0000123900000000, 0.0148053200000000 ] - [ -0.0159396400000000, -0.0008566500000000, -0.0169900100000000 ] - [ -0.0139186900000000, 0.0001686700000000, -0.0153936400000000 ] - [ -0.0154285600000000, 0.0344148100000000, -0.0028983800000000 ] - [ -0.0155313900000000, 0.0336164200000000, -0.0025658100000000 ] - [ 0.0155718200000000, 0.0343972900000000, 0.0030624800000000 ] - [ 0.0154589900000000, 0.0344848300000000, 0.0031762700000000 ] - [ 0.0148551500000000, -0.0341723200000000, 0.0040467100000000 ] - [ 0.0155040100000000, -0.0343561100000000, 0.0030905500000000 ] - [ -0.0136327900000000, -0.0337324700000000, -0.0047519400000000 ] - [ -0.0154652100000000, -0.0339683300000000, -0.0027575300000000 ] - [ -0.0292963600000000, -0.0317287500000000, 0.0346124200000000 ] - [ -0.0298862700000000, -0.0320841800000000, 0.0340648900000000 ] - [ 0.0293856900000000, -0.0305980300000000, -0.0345862000000000 ] - [ 0.0296682200000000, -0.0305093500000000, -0.0338493900000000 ] - [ 0.0288718500000000, 0.0299551100000000, -0.0342396500000000 ] - [ 0.0295474100000000, 0.0308457700000000, -0.0345308100000000 ] - [ -0.0304338600000000, 0.0341952400000000, 0.0328463700000000 ] - [ -0.0294993300000000, 0.0311284700000000, 0.0345613100000000 ] - [ -0.0003957100000000, 0.0108525400000000, 0.0121637600000000 ] - [ -0.0029921000000000, 0.0058071100000000, 0.0112845100000000 ] - [ 0.0005124500000000, 0.0100657700000000, -0.0120631800000000 ] - [ 0.0005763700000000, 0.0100303600000000, -0.0119390600000000 ] - [ 0.0011968700000000, -0.0102515900000000, -0.0122417000000000 ] - [ 0.0006145200000000, -0.0100397200000000, -0.0121004900000000 ] - [ -0.0117173300000000, -0.0239657900000000, 0.0072980500000000 ] - [ -0.0010560000000000, -0.0100196000000000, 0.0117164400000000 ] - [ 0.0412271000000000, 0.0522883800000000, -0.0064728700000000 ] - [ 0.0411810000000000, 0.0523230800000000, -0.0066312400000000 ] - [ -0.0412484400000000, 0.0526014400000000, 0.0060197500000000 ] - [ -0.0409313100000000, 0.0534828000000000, 0.0072540200000000 ] - [ -0.0414957600000000, -0.0534403200000000, 0.0068932600000000 ] - [ -0.0411915100000000, -0.0528692600000000, 0.0067064000000000 ] - [ 0.0411659500000000, -0.0519824900000000, -0.0067091300000000 ] - [ 0.0411921200000000, -0.0525840800000000, -0.0066351500000000 ] - [ -0.0291932300000000, -0.0107833400000000, 0.0070520800000000 ] - [ -0.0292438800000000, -0.0107869800000000, 0.0072340800000000 ] - [ 0.0294057900000000, -0.0110365600000000, -0.0070371900000000 ] - [ 0.0288486000000000, -0.0110413200000000, -0.0071829700000000 ] - [ 0.0293523300000000, 0.0109667500000000, -0.0073541600000000 ] - [ 0.0292461100000000, 0.0108235300000000, -0.0074270100000000 ] - [ -0.0292004400000000, 0.0108770500000000, 0.0070038600000000 ] - [ -0.0292393800000000, 0.0110652700000000, 0.0071346900000000 ] - [ 0.0121549600000000, -0.0001073800000000, -0.0112574000000000 ] - [ 0.0117293700000000, 0.0000210000000000, -0.0107916900000000 ] - [ -0.0121943100000000, -0.0010082600000000, 0.0112396200000000 ] - [ -0.0115658400000000, 0.0002169000000000, 0.0106508900000000 ] - [ 0.0043132000000000, -0.0001637300000000, -0.0170878300000000 ] - [ 0.0042116600000000, 0.0000007600000000, -0.0166684400000000 ] - [ -0.0044999500000000, -0.0000020400000000, 0.0173461400000000 ] - [ -0.0043996700000000, -0.0000234200000000, 0.0171163400000000 ] - [ 0.0176834600000000, -0.0002207400000000, -0.0033217200000000 ] - [ 0.0177582500000000, 0.0000543600000000, -0.0036242600000000 ] - [ -0.0184007000000000, 0.0002261200000000, 0.0037409800000000 ] - [ -0.0180245300000000, -0.0000345800000000, 0.0035442900000000 ] - [ 0.0138874600000000, 0.0000091400000000, 0.0150587500000000 ] - [ 0.0139648800000000, -0.0000117800000000, 0.0150543500000000 ] - [ -0.0132628000000000, -0.0000651600000000, -0.0148594500000000 ] - [ -0.0138105200000000, -0.0000198000000000, -0.0152085400000000 ] - [ -0.0152834300000000, 0.0341556600000000, -0.0029590200000000 ] - [ -0.0154386800000000, 0.0341984800000000, -0.0030210100000000 ] - [ 0.0155607300000000, 0.0360080500000000, 0.0028690100000000 ] - [ 0.0156608400000000, 0.0341793000000000, 0.0030977000000000 ] - [ 0.0148367500000000, -0.0346813700000000, 0.0034304400000000 ] - [ 0.0154754800000000, -0.0351030600000000, 0.0037108600000000 ] - [ -0.0153688800000000, -0.0342729900000000, -0.0029771100000000 ] - [ -0.0152695600000000, -0.0341095800000000, -0.0030963400000000 ] - [ -0.0295335400000000, -0.0312635700000000, 0.0343939000000000 ] - [ -0.0293920500000000, -0.0311170800000000, 0.0345290800000000 ] - [ 0.0295521300000000, -0.0310369100000000, -0.0344128600000000 ] - [ 0.0294588300000000, -0.0309946500000000, -0.0344030700000000 ] - [ 0.0293485000000000, 0.0309793900000000, -0.0345128100000000 ] - [ 0.0295742200000000, 0.0310165500000000, -0.0344593100000000 ] - [ -0.0295455500000000, 0.0310994100000000, 0.0343938900000000 ] - [ -0.0295349200000000, 0.0311238800000000, 0.0342810700000000 ] - [ -0.0011794900000000, 0.0102034800000000, 0.0122283400000000 ] - [ -0.0008151200000000, 0.0101021700000000, 0.0120837500000000 ] - [ 0.0008952200000000, 0.0098133600000000, -0.0125459300000000 ] - [ 0.0005630700000000, 0.0103836400000000, -0.0118549100000000 ] - [ 0.0007459000000000, -0.0104483000000000, -0.0118250200000000 ] - [ 0.0007080400000000, -0.0095432400000000, -0.0125098900000000 ] - [ -0.0013090100000000, -0.0103137600000000, 0.0122023500000000 ] - [ -0.0004194400000000, -0.0101421900000000, 0.0120413100000000 ] - [ -0.0123642600000000, 0.0003131400000000, 0.0184486800000000 ] - [ -0.0116319300000000, 0.0000713800000000, 0.0169358900000000 ] - [ 0.0113948900000000, -0.0000158500000000, -0.0166945700000000 ] - [ 0.0115531100000000, -0.0000013200000000, -0.0167141500000000 ] - [ -0.0377932200000000, -0.0000001700000000, 0.0130418600000000 ] - [ -0.0376967100000000, 0.0000247800000000, 0.0130331700000000 ] - [ 0.0209290600000000, -0.0323835800000000, -0.0096961700000000 ] - [ 0.0368585600000000, -0.0003891600000000, -0.0129588100000000 ] - [ -0.0203028500000000, 0.0003607300000000, 0.0099081200000000 ] - [ -0.0199034300000000, 0.0002121700000000, 0.0119935800000000 ] - [ 0.0199661900000000, -0.0000173100000000, -0.0119435300000000 ] - [ 0.0199943600000000, -0.0000031300000000, -0.0120128800000000 ] - [ -0.0162588000000000, 0.0000488500000000, 0.0202617800000000 ] - [ -0.0161722800000000, -0.0000725400000000, 0.0202385600000000 ] - [ 0.0171551000000000, 0.0007859500000000, -0.0177236200000000 ] - [ 0.0161557500000000, 0.0000489000000000, -0.0202330100000000 ] - [ -0.0117360200000000, -0.0000198200000000, 0.0166452500000000 ] - [ -0.0115317400000000, 0.0000533700000000, 0.0166809500000000 ] - [ 0.0121007700000000, -0.0005727800000000, -0.0169995900000000 ] - [ 0.0116022000000000, 0.0001274700000000, -0.0168026100000000 ] - [ -0.0375812300000000, 0.0000591500000000, 0.0130338900000000 ] - [ -0.0377136100000000, 0.0000252800000000, 0.0130619000000000 ] - [ 0.0371914700000000, -0.0002240900000000, -0.0130154900000000 ] - [ 0.0377733800000000, -0.0000322100000000, -0.0130269500000000 ] - [ -0.0198465500000000, -0.0000358100000000, 0.0120468700000000 ] - [ -0.0199053500000000, 0.0000094000000000, 0.0120106400000000 ] - [ 0.0201236700000000, 0.0000346400000000, -0.0119559500000000 ] - [ 0.0199419100000000, 0.0000653700000000, -0.0120133300000000 ] - [ -0.0162036600000000, 0.0000055200000000, 0.0202624000000000 ] - [ -0.0161935300000000, 0.0000073700000000, 0.0201810800000000 ] - [ 0.0161819800000000, 0.0002406100000000, -0.0200697100000000 ] - [ 0.0161814000000000, -0.0000545800000000, -0.0201871800000000 ]- atom: 9 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0172426100000000, 0.0437376900000000, 0.0752490000000000 ] - [ 0.0413763200000000, 0.0526329500000000, -0.0067089900000000 ] - [ -0.0405469200000000, 0.0524846800000000, 0.0056903600000000 ] - [ -0.0412883900000000, 0.0525914900000000, 0.0066948300000000 ] - [ -0.0412846600000000, -0.0526450900000000, 0.0066816000000000 ] - [ -0.0412795300000000, -0.0526182000000000, 0.0066205000000000 ] - [ 0.0420835600000000, -0.0526310900000000, -0.0070316500000000 ] - [ 0.0416925000000000, -0.0528464100000000, -0.0071845400000000 ] - [ 0.0141279800000000, -0.0112265400000000, -0.1215628200000000 ] - [ -0.0290211500000000, -0.0103806700000000, 0.0066989000000000 ] - [ 0.0284652900000000, -0.0106595200000000, -0.0063202200000000 ] - [ 0.0292712400000000, -0.0108033100000000, -0.0070704900000000 ] - [ 0.0293044900000000, 0.0108846800000000, -0.0071058000000000 ] - [ 0.0293852500000000, 0.0107997700000000, -0.0072008300000000 ] - [ -0.0282781500000000, 0.0107283500000000, 0.0059140600000000 ] - [ -0.0270342900000000, 0.0109293600000000, 0.0067627300000000 ] - [ 0.0082793200000000, 0.0046470000000000, -0.0102806800000000 ] - [ 0.0114056400000000, -0.0000095800000000, -0.0103112300000000 ] - [ -0.0115021200000000, 0.0002015600000000, 0.0108731200000000 ] - [ -0.0116867700000000, 0.0000073800000000, 0.0107846300000000 ] - [ 0.0042874600000000, 0.0000929200000000, -0.0169704300000000 ] - [ 0.0044151300000000, 0.0000288000000000, -0.0170003800000000 ] - [ -0.0218225000000000, 0.0162760600000000, 0.0298667200000000 ] - [ -0.0053140100000000, 0.0000529600000000, 0.0173652200000000 ] - [ 0.0149076100000000, -0.0047740000000000, 0.0009858100000000 ] - [ 0.0178351900000000, -0.0001652000000000, -0.0034500300000000 ] - [ -0.0179838300000000, -0.0000699300000000, 0.0036493300000000 ] - [ -0.0179799700000000, -0.0000513500000000, 0.0035491200000000 ] - [ 0.0141774900000000, 0.0000298900000000, 0.0155915700000000 ] - [ 0.0138809100000000, 0.0000849800000000, 0.0153059800000000 ] - [ -0.0136145700000000, 0.0015717500000000, -0.0159681100000000 ] - [ -0.0139998400000000, 0.0001325300000000, -0.0152237400000000 ] - [ -0.0153076900000000, 0.0341694700000000, -0.0030233500000000 ] - [ -0.0153637800000000, 0.0342018200000000, -0.0026386600000000 ] - [ 0.0155233600000000, 0.0343538400000000, 0.0030694300000000 ] - [ 0.0155256200000000, 0.0344625600000000, 0.0029830000000000 ] - [ 0.0145187900000000, -0.0342087600000000, 0.0057911500000000 ] - [ 0.0153502700000000, -0.0342365200000000, 0.0030594500000000 ] - [ -0.0068868600000000, -0.0325590600000000, 0.0004489900000000 ] - [ -0.0153657200000000, -0.0342846800000000, -0.0030629800000000 ] - [ -0.0293259000000000, -0.0312929400000000, 0.0350354100000000 ] - [ -0.0292633000000000, -0.0304144700000000, 0.0354967400000000 ] - [ 0.0293212200000000, -0.0307363800000000, -0.0342964300000000 ] - [ 0.0292868800000000, -0.0316184200000000, -0.0347603700000000 ] - [ 0.0280035600000000, 0.0314358400000000, -0.0323865500000000 ] - [ 0.0294546100000000, 0.0312056800000000, -0.0344522900000000 ] - [ -0.0227884700000000, 0.0302478500000000, 0.0387591800000000 ] - [ -0.0294356300000000, 0.0311343200000000, 0.0343604200000000 ] - [ -0.0003442800000000, 0.0102414300000000, 0.0121384500000000 ] - [ -0.0000270000000000, 0.0103748200000000, 0.0128292600000000 ] - [ 0.0006123800000000, 0.0100923700000000, -0.0120569100000000 ] - [ 0.0005982100000000, 0.0099701100000000, -0.0122448000000000 ] - [ 0.0018654400000000, -0.0105421500000000, -0.0125588300000000 ] - [ 0.0006528500000000, -0.0101334800000000, -0.0120588100000000 ] - [ -0.0042606400000000, -0.0074060400000000, 0.0204561800000000 ] - [ -0.0005636100000000, -0.0100874900000000, 0.0120655800000000 ] - [ 0.0409215700000000, 0.0524507500000000, -0.0069186200000000 ] - [ 0.0411822300000000, 0.0526162800000000, -0.0067289200000000 ] - [ -0.0412393300000000, 0.0527172800000000, 0.0063527100000000 ] - [ -0.0411362800000000, 0.0524795900000000, 0.0066796900000000 ] - [ -0.0412851100000000, -0.0528367900000000, 0.0066602700000000 ] - [ -0.0411798600000000, -0.0525125700000000, 0.0066371600000000 ] - [ 0.0412765000000000, -0.0526785200000000, -0.0067199000000000 ] - [ 0.0412958100000000, -0.0525536400000000, -0.0066649000000000 ] - [ -0.0292240500000000, -0.0109221300000000, 0.0070835500000000 ] - [ -0.0293064900000000, -0.0107299600000000, 0.0070548300000000 ] - [ 0.0292188900000000, -0.0107577400000000, -0.0073061400000000 ] - [ 0.0294280700000000, -0.0107856100000000, -0.0072363600000000 ] - [ 0.0291294800000000, 0.0110679900000000, -0.0070707700000000 ] - [ 0.0291123900000000, 0.0111070000000000, -0.0071260600000000 ] - [ -0.0290432800000000, 0.0106879100000000, 0.0069580600000000 ] - [ -0.0292631600000000, 0.0108257800000000, 0.0070316600000000 ] - [ 0.0116334800000000, 0.0001306400000000, -0.0103311700000000 ] - [ 0.0117669000000000, -0.0000087200000000, -0.0106219000000000 ] - [ -0.0119232800000000, -0.0003298000000000, 0.0110798700000000 ] - [ -0.0117669100000000, 0.0000475400000000, 0.0107529000000000 ] - [ 0.0044163100000000, -0.0000045700000000, -0.0171073000000000 ] - [ 0.0044304700000000, -0.0003017800000000, -0.0169798900000000 ] - [ -0.0040840900000000, -0.0002110600000000, 0.0170116600000000 ] - [ -0.0043641700000000, 0.0000382700000000, 0.0169793100000000 ] - [ 0.0172649300000000, -0.0005945100000000, -0.0035872900000000 ] - [ 0.0178489700000000, 0.0000200900000000, -0.0036043500000000 ] - [ -0.0182251400000000, 0.0002871000000000, 0.0035157700000000 ] - [ -0.0180018800000000, -0.0000707900000000, 0.0036084300000000 ] - [ 0.0140287400000000, -0.0000101400000000, 0.0152192100000000 ] - [ 0.0139293700000000, -0.0000415800000000, 0.0150564500000000 ] - [ -0.0135284300000000, 0.0003577500000000, -0.0155255500000000 ] - [ -0.0139841300000000, -0.0000237100000000, -0.0152800000000000 ] - [ -0.0153189200000000, 0.0341016200000000, -0.0030923500000000 ] - [ -0.0152955100000000, 0.0342117300000000, -0.0031776000000000 ] - [ 0.0153046500000000, 0.0348420200000000, 0.0025960300000000 ] - [ 0.0154381600000000, 0.0342483500000000, 0.0032006900000000 ] - [ 0.0151873500000000, -0.0339833400000000, 0.0041774300000000 ] - [ 0.0153058900000000, -0.0340766300000000, 0.0043586200000000 ] - [ -0.0151704700000000, -0.0341925700000000, -0.0029468200000000 ] - [ -0.0152710900000000, -0.0342111600000000, -0.0030900900000000 ] - [ -0.0295205000000000, -0.0313296300000000, 0.0346150000000000 ] - [ -0.0294981900000000, -0.0310721000000000, 0.0345416600000000 ] - [ 0.0295024500000000, -0.0309186500000000, -0.0343979300000000 ] - [ 0.0295235800000000, -0.0310208400000000, -0.0344166800000000 ] - [ 0.0294582100000000, 0.0309178700000000, -0.0342572000000000 ] - [ 0.0293994400000000, 0.0309580200000000, -0.0343958000000000 ] - [ -0.0291660300000000, 0.0310971900000000, 0.0344553800000000 ] - [ -0.0293375800000000, 0.0309991600000000, 0.0347518800000000 ] - [ -0.0007856600000000, 0.0100653600000000, 0.0122135100000000 ] - [ -0.0007637700000000, 0.0100048900000000, 0.0120584400000000 ] - [ 0.0008112100000000, 0.0096819700000000, -0.0120219300000000 ] - [ 0.0006059600000000, 0.0101173900000000, -0.0118653800000000 ] - [ 0.0002241800000000, -0.0104256400000000, -0.0108320000000000 ] - [ 0.0004064800000000, -0.0098422900000000, -0.0124605600000000 ] - [ -0.0007092500000000, -0.0098618500000000, 0.0120988100000000 ] - [ -0.0004525100000000, -0.0100062000000000, 0.0119619400000000 ] - [ -0.0121451000000000, -0.0012425000000000, 0.0183919100000000 ] - [ -0.0116553800000000, -0.0000568800000000, 0.0168237600000000 ] - [ 0.0116126800000000, -0.0000123200000000, -0.0167152400000000 ] - [ 0.0115195500000000, -0.0000307500000000, -0.0166936300000000 ] - [ -0.0378126400000000, -0.0000384400000000, 0.0130549100000000 ] - [ -0.0377583400000000, 0.0000009100000000, 0.0130507600000000 ] - [ 0.0295594600000000, -0.0105433000000000, -0.0102999000000000 ] - [ 0.0374836000000000, -0.0001006800000000, -0.0132694300000000 ] - [ -0.0213275300000000, 0.0005416600000000, 0.0134694200000000 ] - [ -0.0199212000000000, 0.0000006700000000, 0.0119274300000000 ] - [ 0.0200855600000000, 0.0000154900000000, -0.0119753700000000 ] - [ 0.0199179600000000, 0.0000101400000000, -0.0120047800000000 ] - [ -0.0162129900000000, 0.0001002000000000, 0.0201415500000000 ] - [ -0.0162107900000000, -0.0000356300000000, 0.0202520600000000 ] - [ 0.0168660300000000, -0.0013017800000000, -0.0211821600000000 ] - [ 0.0161933500000000, -0.0000128700000000, -0.0202150700000000 ] - [ -0.0117127500000000, -0.0002199500000000, 0.0168809800000000 ] - [ -0.0115651700000000, 0.0000053800000000, 0.0167435700000000 ] - [ 0.0115120100000000, -0.0001595100000000, -0.0167775800000000 ] - [ 0.0115428700000000, -0.0001103500000000, -0.0166176400000000 ] - [ -0.0377732500000000, -0.0000558300000000, 0.0131052300000000 ] - [ -0.0377074800000000, -0.0000107800000000, 0.0131176200000000 ] - [ 0.0371558800000000, 0.0000202900000000, -0.0129469600000000 ] - [ 0.0377208000000000, -0.0000167700000000, -0.0130701500000000 ] - [ -0.0198936700000000, 0.0000489000000000, 0.0120139600000000 ] - [ -0.0199060000000000, -0.0000079900000000, 0.0120282100000000 ] - [ 0.0199743000000000, -0.0000249300000000, -0.0117633900000000 ] - [ 0.0198596000000000, -0.0000117000000000, -0.0121746600000000 ] - [ -0.0162467500000000, 0.0000218300000000, 0.0202326600000000 ] - [ -0.0161857700000000, 0.0000289800000000, 0.0202138600000000 ] - [ 0.0163166100000000, 0.0000217500000000, -0.0203372200000000 ] - [ 0.0162263800000000, 0.0000081100000000, -0.0201989400000000 ]- atom: 9 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0640022900000000, 0.0614787800000000, -0.0845385200000000 ] - [ 0.0411242200000000, 0.0524921200000000, -0.0065831300000000 ] - [ -0.0419399500000000, 0.0526452500000000, 0.0076013600000000 ] - [ -0.0412101300000000, 0.0525319300000000, 0.0065996100000000 ] - [ -0.0412150300000000, -0.0524796200000000, 0.0066129900000000 ] - [ -0.0412199500000000, -0.0525057400000000, 0.0066754200000000 ] - [ 0.0404067300000000, -0.0525050700000000, -0.0062589300000000 ] - [ 0.0408168800000000, -0.0522744100000000, -0.0061088200000000 ] - [ -0.0717340600000000, -0.0105223700000000, 0.1309792500000000 ] - [ -0.0294748500000000, -0.0112670000000000, 0.0075487900000000 ] - [ 0.0300343700000000, -0.0109830700000000, -0.0079350000000000 ] - [ 0.0292277000000000, -0.0108381800000000, -0.0071822500000000 ] - [ 0.0291948300000000, 0.0107576300000000, -0.0071490800000000 ] - [ 0.0291161500000000, 0.0108418800000000, -0.0070519800000000 ] - [ -0.0302379900000000, 0.0108900500000000, 0.0083250100000000 ] - [ -0.0314232400000000, 0.0107227200000000, 0.0074685800000000 ] - [ 0.0151141400000000, -0.0045994200000000, -0.0110804900000000 ] - [ 0.0120255100000000, 0.0000125300000000, -0.0111690000000000 ] - [ -0.0119286000000000, -0.0002046500000000, 0.0106137800000000 ] - [ -0.0117461200000000, -0.0000076500000000, 0.0106971300000000 ] - [ 0.0045453500000000, -0.0000936400000000, -0.0171171200000000 ] - [ 0.0044177200000000, -0.0000285000000000, -0.0170870600000000 ] - [ 0.0130577100000000, -0.0164751500000000, 0.0044931600000000 ] - [ -0.0035100300000000, -0.0000551700000000, 0.0167213800000000 ] - [ 0.0209452500000000, 0.0048106000000000, -0.0081018900000000 ] - [ 0.0180060600000000, 0.0001606800000000, -0.0036535300000000 ] - [ -0.0178633600000000, 0.0000705600000000, 0.0034533600000000 ] - [ -0.0178715500000000, 0.0000523500000000, 0.0035541000000000 ] - [ 0.0136614400000000, -0.0000247600000000, 0.0146974400000000 ] - [ 0.0139678800000000, -0.0000877400000000, 0.0149951100000000 ] - [ -0.0142172200000000, -0.0015724900000000, -0.0143156500000000 ] - [ -0.0138459100000000, -0.0001355800000000, -0.0150755800000000 ] - [ -0.0154878700000000, 0.0343125400000000, -0.0031016300000000 ] - [ -0.0154398500000000, 0.0342708500000000, -0.0034804700000000 ] - [ 0.0152745900000000, 0.0341272900000000, 0.0030558500000000 ] - [ 0.0152766400000000, 0.0340220300000000, 0.0031452400000000 ] - [ 0.0162639200000000, -0.0342736700000000, 0.0003303300000000 ] - [ 0.0154470600000000, -0.0342460000000000, 0.0030674500000000 ] - [ -0.0239030000000000, -0.0359071100000000, -0.0065743000000000 ] - [ -0.0154305300000000, -0.0341929500000000, -0.0030607500000000 ] - [ -0.0296165300000000, -0.0308336200000000, 0.0338375900000000 ] - [ -0.0296850000000000, -0.0316998700000000, 0.0333642600000000 ] - [ 0.0296232300000000, -0.0313835900000000, -0.0345727100000000 ] - [ 0.0296608400000000, -0.0305015600000000, -0.0341132900000000 ] - [ 0.0309393700000000, 0.0306731600000000, -0.0364744400000000 ] - [ 0.0294930500000000, 0.0309138500000000, -0.0344207500000000 ] - [ -0.0361041900000000, 0.0318744600000000, 0.0301066800000000 ] - [ -0.0295096100000000, 0.0309896500000000, 0.0345125400000000 ] - [ -0.0009121100000000, 0.0099659600000000, 0.0119832000000000 ] - [ -0.0012411800000000, 0.0098774800000000, 0.0112581900000000 ] - [ 0.0006463600000000, 0.0101113300000000, -0.0120589800000000 ] - [ 0.0006588100000000, 0.0102339700000000, -0.0118751600000000 ] - [ -0.0006135800000000, -0.0096622800000000, -0.0115559100000000 ] - [ 0.0006050300000000, -0.0100722100000000, -0.0120603500000000 ] - [ 0.0032036000000000, -0.0128106200000000, 0.0039573800000000 ] - [ -0.0006975200000000, -0.0101166800000000, 0.0120473800000000 ] - [ 0.0415757100000000, 0.0526719000000000, -0.0063759600000000 ] - [ 0.0413141300000000, 0.0525111500000000, -0.0065643200000000 ] - [ -0.0412603900000000, 0.0524131300000000, 0.0069415400000000 ] - [ -0.0413556000000000, 0.0526572200000000, 0.0066195500000000 ] - [ -0.0412152100000000, -0.0522878200000000, 0.0066261300000000 ] - [ -0.0413182300000000, -0.0526126100000000, 0.0066571500000000 ] - [ 0.0412211300000000, -0.0524444100000000, -0.0065706900000000 ] - [ 0.0412033100000000, -0.0525718700000000, -0.0066293000000000 ] - [ -0.0292785200000000, -0.0107194600000000, 0.0071706900000000 ] - [ -0.0291904000000000, -0.0109105900000000, 0.0071955800000000 ] - [ 0.0292829500000000, -0.0108871700000000, -0.0069485200000000 ] - [ 0.0290646600000000, -0.0108599400000000, -0.0070129600000000 ] - [ 0.0293689200000000, 0.0105707600000000, -0.0071794700000000 ] - [ 0.0293896800000000, 0.0105365300000000, -0.0071269400000000 ] - [ -0.0294557500000000, 0.0109530700000000, 0.0072946800000000 ] - [ -0.0292365900000000, 0.0108146700000000, 0.0072211900000000 ] - [ 0.0118056700000000, -0.0001304700000000, -0.0111471700000000 ] - [ 0.0116694600000000, 0.0000087200000000, -0.0108564000000000 ] - [ -0.0115123200000000, 0.0003181600000000, 0.0104075900000000 ] - [ -0.0116685000000000, -0.0000504300000000, 0.0107264500000000 ] - [ 0.0044187500000000, 0.0000068400000000, -0.0169808300000000 ] - [ 0.0044013700000000, 0.0002971100000000, -0.0171053700000000 ] - [ -0.0047453100000000, 0.0002093700000000, 0.0170750200000000 ] - [ -0.0044674900000000, -0.0000375300000000, 0.0171095100000000 ] - [ 0.0185796600000000, 0.0005928200000000, -0.0035269800000000 ] - [ 0.0179984500000000, -0.0000193100000000, -0.0035022900000000 ] - [ -0.0176355300000000, -0.0002923100000000, 0.0035698300000000 ] - [ -0.0178462000000000, 0.0000676400000000, 0.0034985000000000 ] - [ 0.0138161900000000, 0.0000100500000000, 0.0150790900000000 ] - [ 0.0139147100000000, 0.0000422700000000, 0.0152412600000000 ] - [ -0.0143082900000000, -0.0003460200000000, -0.0147776400000000 ] - [ -0.0138622800000000, 0.0000232700000000, -0.0150194300000000 ] - [ -0.0154782300000000, 0.0343805800000000, -0.0030311700000000 ] - [ -0.0155029900000000, 0.0342689800000000, -0.0029478200000000 ] - [ 0.0155171600000000, 0.0336504100000000, 0.0035151300000000 ] - [ 0.0153590400000000, 0.0342410500000000, 0.0029283100000000 ] - [ 0.0156284400000000, -0.0344894900000000, 0.0019329400000000 ] - [ 0.0154893500000000, -0.0344152700000000, 0.0017843100000000 ] - [ -0.0156290800000000, -0.0342879000000000, -0.0031810700000000 ] - [ -0.0155238800000000, -0.0342637000000000, -0.0030291500000000 ] - [ -0.0294264600000000, -0.0307891700000000, 0.0342578000000000 ] - [ -0.0294497800000000, -0.0310468400000000, 0.0343318700000000 ] - [ 0.0294435600000000, -0.0311999700000000, -0.0344749000000000 ] - [ 0.0294220200000000, -0.0310970500000000, -0.0344572100000000 ] - [ 0.0294893700000000, 0.0311993700000000, -0.0346170300000000 ] - [ 0.0295446700000000, 0.0311586200000000, -0.0344778700000000 ] - [ -0.0297786500000000, 0.0310236000000000, 0.0344156500000000 ] - [ -0.0296075100000000, 0.0311170900000000, 0.0341266800000000 ] - [ -0.0004712200000000, 0.0101380500000000, 0.0119048100000000 ] - [ -0.0004934500000000, 0.0101989000000000, 0.0120592600000000 ] - [ 0.0004418400000000, 0.0105207000000000, -0.0120846000000000 ] - [ 0.0006532900000000, 0.0100901900000000, -0.0122575800000000 ] - [ 0.0010354200000000, -0.0097693100000000, -0.0132903400000000 ] - [ 0.0008539900000000, -0.0103638600000000, -0.0116674600000000 ] - [ -0.0005517000000000, -0.0103446100000000, 0.0120182400000000 ] - [ -0.0008103200000000, -0.0101964200000000, 0.0121568900000000 ] - [ -0.0109485100000000, 0.0012367700000000, 0.0150373400000000 ] - [ -0.0114216300000000, 0.0000669500000000, 0.0165609700000000 ] - [ 0.0114615500000000, 0.0000074400000000, -0.0166690800000000 ] - [ 0.0115555600000000, 0.0000255500000000, -0.0166909000000000 ] - [ -0.0376951100000000, 0.0000423100000000, 0.0130707600000000 ] - [ -0.0377511100000000, 0.0000023300000000, 0.0130731000000000 ] - [ 0.0459789200000000, 0.0106041100000000, -0.0156683900000000 ] - [ 0.0380208000000000, 0.0000984000000000, -0.0128541100000000 ] - [ -0.0185309800000000, -0.0005035900000000, 0.0105742200000000 ] - [ -0.0199096200000000, 0.0000065600000000, 0.0120969100000000 ] - [ 0.0197441900000000, -0.0000219500000000, -0.0120496300000000 ] - [ 0.0199120400000000, -0.0000164900000000, -0.0120185400000000 ] - [ -0.0162094200000000, -0.0000911500000000, 0.0202678400000000 ] - [ -0.0162125200000000, 0.0000436400000000, 0.0201545600000000 ] - [ 0.0155916000000000, 0.0012709400000000, -0.0192162300000000 ] - [ 0.0162300300000000, 0.0000055700000000, -0.0201909000000000 ] - [ -0.0113715200000000, 0.0002246400000000, 0.0165068400000000 ] - [ -0.0115103100000000, 0.0000001000000000, 0.0166424600000000 ] - [ 0.0115593100000000, 0.0001716300000000, -0.0165962900000000 ] - [ 0.0115336000000000, 0.0001054400000000, -0.0167693700000000 ] - [ -0.0377346100000000, 0.0000590500000000, 0.0130202400000000 ] - [ -0.0378042300000000, 0.0000152900000000, 0.0130064800000000 ] - [ 0.0383654600000000, -0.0000183900000000, -0.0131778000000000 ] - [ 0.0377879100000000, 0.0000129700000000, -0.0130548200000000 ] - [ -0.0199364700000000, -0.0000423200000000, 0.0120090300000000 ] - [ -0.0199230300000000, 0.0000148500000000, 0.0119950900000000 ] - [ 0.0198506600000000, 0.0000178300000000, -0.0122722000000000 ] - [ 0.0199696200000000, 0.0000067500000000, -0.0118487000000000 ] - [ -0.0161781300000000, -0.0000144300000000, 0.0201746100000000 ] - [ -0.0162379400000000, -0.0000205400000000, 0.0201939900000000 ] - [ 0.0161147500000000, -0.0000317100000000, -0.0200699900000000 ] - [ 0.0161983900000000, -0.0000165700000000, -0.0202084400000000 ]- atom: 17 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0738985300000000, 0.0250590800000000, -0.0133345900000000 ] - [ 0.0427260800000000, 0.0521121200000000, -0.0074754000000000 ] - [ -0.0409993900000000, 0.0525416200000000, 0.0067485800000000 ] - [ -0.0411793200000000, 0.0524853000000000, 0.0066370600000000 ] - [ -0.0409993900000000, -0.0525416200000000, 0.0067485800000000 ] - [ -0.0411793200000000, -0.0524853000000000, 0.0066370600000000 ] - [ 0.0738985300000000, -0.0250590800000000, -0.0133345900000000 ] - [ 0.0427260800000000, -0.0521121200000000, -0.0074754000000000 ] - [ -0.0281721500000000, -0.0120099200000000, 0.0039024300000000 ] - [ -0.0292690900000000, -0.0107467600000000, 0.0067966200000000 ] - [ 0.0291690000000000, -0.0105486800000000, -0.0069306400000000 ] - [ 0.0292181900000000, -0.0108047000000000, -0.0071066200000000 ] - [ 0.0291690000000000, 0.0105486800000000, -0.0069306400000000 ] - [ 0.0292181900000000, 0.0108047000000000, -0.0071066200000000 ] - [ -0.0281721500000000, 0.0120099200000000, 0.0039024300000000 ] - [ -0.0292690900000000, 0.0107467600000000, 0.0067966200000000 ] - [ -0.1207160900000000, 0.0000000000000000, -0.0078062200000000 ] - [ 0.0097589300000000, 0.0000000000000000, -0.0099908800000000 ] - [ -0.0118595600000000, 0.0000000000000000, 0.0107090100000000 ] - [ -0.0117561600000000, 0.0000000000000000, 0.0107448100000000 ] - [ 0.0044646400000000, -0.0000235600000000, -0.0170677700000000 ] - [ 0.0044646400000000, 0.0000235600000000, -0.0170677700000000 ] - [ -0.0042298800000000, 0.0001671500000000, 0.0180098400000000 ] - [ -0.0042298800000000, -0.0001671500000000, 0.0180098400000000 ] - [ 0.0178092200000000, 0.0000000000000000, -0.0037016100000000 ] - [ 0.0178583000000000, 0.0000000000000000, -0.0035879200000000 ] - [ -0.0178908300000000, 0.0000000000000000, 0.0032841500000000 ] - [ -0.0179272400000000, 0.0000000000000000, 0.0035143800000000 ] - [ 0.0155799100000000, 0.0000000000000000, 0.0189313700000000 ] - [ 0.0140171400000000, 0.0000000000000000, 0.0152285600000000 ] - [ -0.0154512900000000, 0.0000000000000000, -0.0149174300000000 ] - [ -0.0142418600000000, 0.0000000000000000, -0.0150472500000000 ] - [ -0.0154764200000000, 0.0342198100000000, -0.0030408100000000 ] - [ -0.0154225700000000, 0.0342298900000000, -0.0032840000000000 ] - [ 0.0151745700000000, 0.0340540600000000, 0.0030941600000000 ] - [ 0.0153524300000000, 0.0341379400000000, 0.0030513900000000 ] - [ 0.0151745700000000, -0.0340540600000000, 0.0030941600000000 ] - [ 0.0153524300000000, -0.0341379400000000, 0.0030513900000000 ] - [ -0.0154764200000000, -0.0342198100000000, -0.0030408100000000 ] - [ -0.0154225700000000, -0.0342298900000000, -0.0032840000000000 ] - [ -0.0242401000000000, -0.0242935800000000, 0.0341886900000000 ] - [ -0.0288662400000000, -0.0304435600000000, 0.0344494100000000 ] - [ 0.0291357500000000, -0.0313095300000000, -0.0348472100000000 ] - [ 0.0295260100000000, -0.0310756500000000, -0.0344138900000000 ] - [ 0.0291357500000000, 0.0313095300000000, -0.0348472100000000 ] - [ 0.0295260100000000, 0.0310756500000000, -0.0344138900000000 ] - [ -0.0242401000000000, 0.0242935800000000, 0.0341886900000000 ] - [ -0.0288662400000000, 0.0304435600000000, 0.0344494100000000 ] - [ -0.0008846200000000, 0.0101401100000000, 0.0120122500000000 ] - [ -0.0006628200000000, 0.0100676600000000, 0.0119545400000000 ] - [ 0.0006634300000000, 0.0102702200000000, -0.0122273000000000 ] - [ 0.0006852000000000, 0.0100634400000000, -0.0120552600000000 ] - [ 0.0006634300000000, -0.0102702200000000, -0.0122273000000000 ] - [ 0.0006852000000000, -0.0100634400000000, -0.0120552600000000 ] - [ -0.0008846200000000, -0.0101401100000000, 0.0120122500000000 ] - [ -0.0006628200000000, -0.0100676600000000, 0.0119545400000000 ] - [ 0.0417154500000000, 0.0525910100000000, -0.0066810300000000 ] - [ 0.0416776300000000, 0.0528566100000000, -0.0065656300000000 ] - [ -0.0411267200000000, 0.0518397400000000, 0.0046458700000000 ] - [ -0.0414970800000000, 0.0523809300000000, 0.0065603300000000 ] - [ -0.0411267200000000, -0.0518397400000000, 0.0046458700000000 ] - [ -0.0414970800000000, -0.0523809300000000, 0.0065603300000000 ] - [ 0.0417154500000000, -0.0525910100000000, -0.0066810300000000 ] - [ 0.0416776300000000, -0.0528566100000000, -0.0065656300000000 ] - [ -0.0290063200000000, -0.0112559400000000, 0.0071160400000000 ] - [ -0.0291782500000000, -0.0108376000000000, 0.0072022600000000 ] - [ 0.0296786600000000, -0.0112969800000000, -0.0072064200000000 ] - [ 0.0295362200000000, -0.0106729600000000, -0.0070902900000000 ] - [ 0.0296786600000000, 0.0112969800000000, -0.0072064200000000 ] - [ 0.0295362200000000, 0.0106729600000000, -0.0070902900000000 ] - [ -0.0290063200000000, 0.0112559400000000, 0.0071160400000000 ] - [ -0.0291782500000000, 0.0108376000000000, 0.0072022600000000 ] - [ 0.0117745400000000, -0.0003431900000000, -0.0108738600000000 ] - [ 0.0117745400000000, 0.0003431900000000, -0.0108738600000000 ] - [ -0.0116305500000000, 0.0000252000000000, 0.0114635500000000 ] - [ -0.0116305500000000, -0.0000252000000000, 0.0114635500000000 ] - [ 0.0041895100000000, 0.0000000000000000, -0.0172078700000000 ] - [ 0.0043502400000000, 0.0000000000000000, -0.0172176500000000 ] - [ -0.0018803000000000, 0.0000000000000000, 0.0191241900000000 ] - [ -0.0044414500000000, 0.0000000000000000, 0.0169978300000000 ] - [ 0.0179842700000000, 0.0000647500000000, -0.0034380100000000 ] - [ 0.0179842700000000, -0.0000647500000000, -0.0034380100000000 ] - [ -0.0179377100000000, -0.0001689900000000, 0.0036221400000000 ] - [ -0.0179377100000000, 0.0001689900000000, 0.0036221400000000 ] - [ 0.0141874300000000, 0.0000920400000000, 0.0154623700000000 ] - [ 0.0141874300000000, -0.0000920400000000, 0.0154623700000000 ] - [ -0.0155046500000000, -0.0001784600000000, -0.0149091600000000 ] - [ -0.0155046500000000, 0.0001784600000000, -0.0149091600000000 ] - [ -0.0154173800000000, 0.0342896700000000, -0.0030404400000000 ] - [ -0.0153498800000000, 0.0342420400000000, -0.0030388100000000 ] - [ 0.0155003200000000, 0.0341772400000000, 0.0031665200000000 ] - [ 0.0153900800000000, 0.0342780500000000, 0.0031607500000000 ] - [ 0.0155003200000000, -0.0341772400000000, 0.0031665200000000 ] - [ 0.0153900800000000, -0.0342780500000000, 0.0031607500000000 ] - [ -0.0154173800000000, -0.0342896700000000, -0.0030404400000000 ] - [ -0.0153498800000000, -0.0342420400000000, -0.0030388100000000 ] - [ -0.0244605800000000, -0.0272580700000000, 0.0339191900000000 ] - [ -0.0291080500000000, -0.0304978600000000, 0.0342247400000000 ] - [ 0.0287889400000000, -0.0319435500000000, -0.0351140300000000 ] - [ 0.0292122500000000, -0.0311946900000000, -0.0344750200000000 ] - [ 0.0287889400000000, 0.0319435500000000, -0.0351140300000000 ] - [ 0.0292122500000000, 0.0311946900000000, -0.0344750200000000 ] - [ -0.0244605800000000, 0.0272580700000000, 0.0339191900000000 ] - [ -0.0291080500000000, 0.0304978600000000, 0.0342247400000000 ] - [ -0.0005184400000000, 0.0100380200000000, 0.0121121200000000 ] - [ -0.0005781800000000, 0.0100856600000000, 0.0120232200000000 ] - [ 0.0008899700000000, 0.0103035700000000, -0.0120780000000000 ] - [ 0.0006453700000000, 0.0101275500000000, -0.0120767100000000 ] - [ 0.0008899700000000, -0.0103035700000000, -0.0120780000000000 ] - [ 0.0006453700000000, -0.0101275500000000, -0.0120767100000000 ] - [ -0.0005184400000000, -0.0100380200000000, 0.0121121200000000 ] - [ -0.0005781800000000, -0.0100856600000000, 0.0120232200000000 ] - [ -0.0127522700000000, 0.0012547100000000, 0.0170593100000000 ] - [ -0.0127522700000000, -0.0012547100000000, 0.0170593100000000 ] - [ 0.0115349400000000, 0.0000362400000000, -0.0166879200000000 ] - [ 0.0115349400000000, -0.0000362400000000, -0.0166879200000000 ] - [ -0.0377160400000000, 0.0000000000000000, 0.0127133900000000 ] - [ -0.0377467400000000, 0.0000000000000000, 0.0130628300000000 ] - [ 0.0377325900000000, 0.0000000000000000, -0.0131045700000000 ] - [ 0.0377741100000000, 0.0000000000000000, -0.0130575700000000 ] - [ -0.0199663200000000, 0.0000776400000000, 0.0119613700000000 ] - [ -0.0199663200000000, -0.0000776400000000, 0.0119613700000000 ] - [ 0.0198858400000000, -0.0000002200000000, -0.0120227800000000 ] - [ 0.0198858400000000, 0.0000002200000000, -0.0120227800000000 ] - [ -0.0161670100000000, 0.0000297600000000, 0.0201023800000000 ] - [ -0.0161670100000000, -0.0000297600000000, 0.0201023800000000 ] - [ 0.0165087300000000, -0.0000206800000000, -0.0200376200000000 ] - [ 0.0165087300000000, 0.0000206800000000, -0.0200376200000000 ] - [ -0.0117499000000000, 0.0000000000000000, 0.0166981300000000 ] - [ -0.0115504100000000, 0.0000000000000000, 0.0166938600000000 ] - [ 0.0143261300000000, 0.0000000000000000, -0.0149423900000000 ] - [ 0.0116201200000000, 0.0000000000000000, -0.0166935300000000 ] - [ -0.0377417400000000, -0.0000904700000000, 0.0129738800000000 ] - [ -0.0377417400000000, 0.0000904700000000, 0.0129738800000000 ] - [ 0.0377683600000000, -0.0000843500000000, -0.0130993800000000 ] - [ 0.0377683600000000, 0.0000843500000000, -0.0130993800000000 ] - [ -0.0200530800000000, 0.0000000000000000, 0.0121974300000000 ] - [ -0.0198832400000000, 0.0000000000000000, 0.0120061400000000 ] - [ 0.0199917300000000, 0.0000000000000000, -0.0119764000000000 ] - [ 0.0199571500000000, 0.0000000000000000, -0.0120680000000000 ] - [ -0.0161342300000000, 0.0000000000000000, 0.0201243000000000 ] - [ -0.0161862900000000, 0.0000000000000000, 0.0201471100000000 ] - [ 0.0553359900000000, 0.0000000000000000, -0.0055518200000000 ] - [ 0.0161854300000000, 0.0000000000000000, -0.0201112100000000 ]- atom: 17 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0088489700000000, 0.0793193500000000, -0.0002308500000000 ] - [ 0.0397761000000000, 0.0530086100000000, -0.0058232000000000 ] - [ -0.0415090400000000, 0.0525888200000000, 0.0065522600000000 ] - [ -0.0413259800000000, 0.0526448400000000, 0.0066591000000000 ] - [ -0.0415090400000000, -0.0525888200000000, 0.0065522600000000 ] - [ -0.0413259800000000, -0.0526448400000000, 0.0066591000000000 ] - [ 0.0088489700000000, -0.0793193500000000, -0.0002308500000000 ] - [ 0.0397761000000000, -0.0530086100000000, -0.0058232000000000 ] - [ -0.0303200100000000, -0.0096756600000000, 0.0103893200000000 ] - [ -0.0292324600000000, -0.0109053600000000, 0.0074552000000000 ] - [ 0.0293414000000000, -0.0110970000000000, -0.0073252000000000 ] - [ 0.0292894500000000, -0.0108412700000000, -0.0071468900000000 ] - [ 0.0293414000000000, 0.0110970000000000, -0.0073252000000000 ] - [ 0.0292894500000000, 0.0108412700000000, -0.0071468900000000 ] - [ -0.0303200100000000, 0.0096756600000000, 0.0103893200000000 ] - [ -0.0292324600000000, 0.0109053600000000, 0.0074552000000000 ] - [ 0.1456825900000000, 0.0000000000000000, -0.0120221000000000 ] - [ 0.0136961500000000, 0.0000000000000000, -0.0114915300000000 ] - [ -0.0115921000000000, 0.0000000000000000, 0.0107742200000000 ] - [ -0.0116918200000000, 0.0000000000000000, 0.0107398800000000 ] - [ 0.0043662400000000, 0.0000232100000000, -0.0170107200000000 ] - [ 0.0043662400000000, -0.0000232100000000, -0.0170107200000000 ] - [ -0.0045948800000000, -0.0001765500000000, 0.0160470500000000 ] - [ -0.0045948800000000, 0.0001765500000000, 0.0160470500000000 ] - [ 0.0180415900000000, 0.0000000000000000, -0.0034088800000000 ] - [ 0.0179921000000000, 0.0000000000000000, -0.0035240600000000 ] - [ -0.0179569700000000, 0.0000000000000000, 0.0038333700000000 ] - [ -0.0179220000000000, 0.0000000000000000, 0.0035991800000000 ] - [ 0.0122583000000000, 0.0000000000000000, 0.0113502500000000 ] - [ 0.0138271400000000, 0.0000000000000000, 0.0150660600000000 ] - [ -0.0124054200000000, 0.0000000000000000, -0.0153770800000000 ] - [ -0.0136055800000000, 0.0000000000000000, -0.0152494700000000 ] - [ -0.0153271200000000, 0.0342632400000000, -0.0030805300000000 ] - [ -0.0153769100000000, 0.0342515200000000, -0.0028381400000000 ] - [ 0.0156308800000000, 0.0344339700000000, 0.0030279800000000 ] - [ 0.0154493500000000, 0.0343435700000000, 0.0030735100000000 ] - [ 0.0156308800000000, -0.0344339700000000, 0.0030279800000000 ] - [ 0.0154493500000000, -0.0343435700000000, 0.0030735100000000 ] - [ -0.0153271200000000, -0.0342632400000000, -0.0030805300000000 ] - [ -0.0153769100000000, -0.0342515200000000, -0.0028381400000000 ] - [ -0.0346328200000000, -0.0377162800000000, 0.0346634700000000 ] - [ -0.0300816000000000, -0.0316737200000000, 0.0344320700000000 ] - [ 0.0298209300000000, -0.0308165200000000, -0.0340517300000000 ] - [ 0.0294260000000000, -0.0310495100000000, -0.0344699600000000 ] - [ 0.0298209300000000, 0.0308165200000000, -0.0340517300000000 ] - [ 0.0294260000000000, 0.0310495100000000, -0.0344699600000000 ] - [ -0.0346328200000000, 0.0377162800000000, 0.0346634700000000 ] - [ -0.0300816000000000, 0.0316737200000000, 0.0344320700000000 ] - [ -0.0003659000000000, 0.0100594600000000, 0.0121108900000000 ] - [ -0.0005943200000000, 0.0101353400000000, 0.0121609000000000 ] - [ 0.0005924600000000, 0.0099268500000000, -0.0118881200000000 ] - [ 0.0005730700000000, 0.0101389400000000, -0.0120612600000000 ] - [ 0.0005924600000000, -0.0099268500000000, -0.0118881200000000 ] - [ 0.0005730700000000, -0.0101389400000000, -0.0120612600000000 ] - [ -0.0003659000000000, -0.0100594600000000, 0.0121108900000000 ] - [ -0.0005943200000000, -0.0101353400000000, 0.0121609000000000 ] - [ 0.0407648900000000, 0.0525220400000000, -0.0066287700000000 ] - [ 0.0408304700000000, 0.0522749400000000, -0.0067357200000000 ] - [ -0.0413650800000000, 0.0532897400000000, 0.0086518700000000 ] - [ -0.0410037300000000, 0.0527457100000000, 0.0067366300000000 ] - [ -0.0413650800000000, -0.0532897400000000, 0.0086518700000000 ] - [ -0.0410037300000000, -0.0527457100000000, 0.0067366300000000 ] - [ 0.0407648900000000, -0.0525220400000000, -0.0066287700000000 ] - [ 0.0408304700000000, -0.0522749400000000, -0.0067357200000000 ] - [ -0.0295015100000000, -0.0103754500000000, 0.0071382300000000 ] - [ -0.0293303400000000, -0.0108111600000000, 0.0070515900000000 ] - [ 0.0288247900000000, -0.0103434700000000, -0.0070464600000000 ] - [ 0.0289697700000000, -0.0109755900000000, -0.0071645000000000 ] - [ 0.0288247900000000, 0.0103434700000000, -0.0070464600000000 ] - [ 0.0289697700000000, 0.0109755900000000, -0.0071645000000000 ] - [ -0.0295015100000000, 0.0103754500000000, 0.0071382300000000 ] - [ -0.0293303400000000, 0.0108111600000000, 0.0070515900000000 ] - [ 0.0116724000000000, 0.0003328800000000, -0.0106033300000000 ] - [ 0.0116724000000000, -0.0003328800000000, -0.0106033300000000 ] - [ -0.0118183200000000, -0.0000201300000000, 0.0100205400000000 ] - [ -0.0118183200000000, 0.0000201300000000, 0.0100205400000000 ] - [ 0.0046435600000000, 0.0000000000000000, -0.0168714800000000 ] - [ 0.0044823700000000, 0.0000000000000000, -0.0168584400000000 ] - [ -0.0070063700000000, 0.0000000000000000, 0.0148728200000000 ] - [ -0.0043882700000000, 0.0000000000000000, 0.0170797200000000 ] - [ 0.0178649500000000, -0.0000647800000000, -0.0036790100000000 ] - [ 0.0178649500000000, 0.0000647800000000, -0.0036790100000000 ] - [ -0.0179120400000000, 0.0001690400000000, 0.0034930300000000 ] - [ -0.0179120400000000, -0.0001690400000000, 0.0034930300000000 ] - [ 0.0136450800000000, -0.0000928900000000, 0.0148198400000000 ] - [ 0.0136450800000000, 0.0000928900000000, 0.0148198400000000 ] - [ -0.0123119100000000, 0.0001923200000000, -0.0154103900000000 ] - [ -0.0123119100000000, -0.0001923200000000, -0.0154103900000000 ] - [ -0.0153814700000000, 0.0341904900000000, -0.0030846800000000 ] - [ -0.0154511100000000, 0.0342400600000000, -0.0030849200000000 ] - [ 0.0152956400000000, 0.0343028100000000, 0.0029578600000000 ] - [ 0.0154076900000000, 0.0342016400000000, 0.0029606500000000 ] - [ 0.0152956400000000, -0.0343028100000000, 0.0029578600000000 ] - [ 0.0154076900000000, -0.0342016400000000, 0.0029606500000000 ] - [ -0.0153814700000000, -0.0341904900000000, -0.0030846800000000 ] - [ -0.0154511100000000, -0.0342400600000000, -0.0030849200000000 ] - [ -0.0345582500000000, -0.0349802800000000, 0.0349956200000000 ] - [ -0.0298489600000000, -0.0316289800000000, 0.0346678700000000 ] - [ 0.0301820300000000, -0.0301652400000000, -0.0337418600000000 ] - [ 0.0297477300000000, -0.0309287700000000, -0.0344064500000000 ] - [ 0.0301820300000000, 0.0301652400000000, -0.0337418600000000 ] - [ 0.0297477300000000, 0.0309287700000000, -0.0344064500000000 ] - [ -0.0345582500000000, 0.0349802800000000, 0.0349956200000000 ] - [ -0.0298489600000000, 0.0316289800000000, 0.0346678700000000 ] - [ -0.0007445100000000, 0.0101653300000000, 0.0120063800000000 ] - [ -0.0006820000000000, 0.0101135200000000, 0.0120945500000000 ] - [ 0.0003697100000000, 0.0098951500000000, -0.0120393900000000 ] - [ 0.0006131400000000, 0.0100746200000000, -0.0120419700000000 ] - [ 0.0003697100000000, -0.0098951500000000, -0.0120393900000000 ] - [ 0.0006131400000000, -0.0100746200000000, -0.0120419700000000 ] - [ -0.0007445100000000, -0.0101653300000000, 0.0120063800000000 ] - [ -0.0006820000000000, -0.0101135200000000, 0.0120945500000000 ] - [ -0.0103333400000000, -0.0012793500000000, 0.0163473800000000 ] - [ -0.0103333400000000, 0.0012793500000000, 0.0163473800000000 ] - [ 0.0115480100000000, -0.0000366700000000, -0.0166993300000000 ] - [ 0.0115480100000000, 0.0000366700000000, -0.0166993300000000 ] - [ -0.0377997600000000, 0.0000000000000000, 0.0134094900000000 ] - [ -0.0377692000000000, 0.0000000000000000, 0.0130585400000000 ] - [ 0.0377906500000000, 0.0000000000000000, -0.0130204000000000 ] - [ 0.0377407600000000, 0.0000000000000000, -0.0130641500000000 ] - [ -0.0198580500000000, -0.0000805100000000, 0.0120657700000000 ] - [ -0.0198580500000000, 0.0000805100000000, 0.0120657700000000 ] - [ 0.0199421200000000, -0.0000001200000000, -0.0120027300000000 ] - [ 0.0199421200000000, 0.0000001200000000, -0.0120027300000000 ] - [ -0.0162609600000000, -0.0000295800000000, 0.0203118800000000 ] - [ -0.0162609600000000, 0.0000295800000000, 0.0203118800000000 ] - [ 0.0159377300000000, 0.0000162700000000, -0.0203735500000000 ] - [ 0.0159377300000000, -0.0000162700000000, -0.0203735500000000 ] - [ -0.0113266500000000, 0.0000000000000000, 0.0166882900000000 ] - [ -0.0115318900000000, 0.0000000000000000, 0.0166939200000000 ] - [ 0.0086872900000000, 0.0000000000000000, -0.0186374300000000 ] - [ 0.0114613000000000, 0.0000000000000000, -0.0166942000000000 ] - [ -0.0377724600000000, 0.0000917800000000, 0.0131483500000000 ] - [ -0.0377724600000000, -0.0000917800000000, 0.0131483500000000 ] - [ 0.0377467900000000, 0.0000865100000000, -0.0130212000000000 ] - [ 0.0377467900000000, -0.0000865100000000, -0.0130212000000000 ] - [ -0.0197727400000000, 0.0000000000000000, 0.0118232400000000 ] - [ -0.0199446700000000, 0.0000000000000000, 0.0120191200000000 ] - [ 0.0198342800000000, 0.0000000000000000, -0.0120481500000000 ] - [ 0.0198689200000000, 0.0000000000000000, -0.0119573700000000 ] - [ -0.0162959500000000, 0.0000000000000000, 0.0202915600000000 ] - [ -0.0162440800000000, 0.0000000000000000, 0.0202686300000000 ] - [ -0.0249647500000000, 0.0000000000000000, -0.0357348100000000 ] - [ 0.0162458800000000, 0.0000000000000000, -0.0203065700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0121400500000000, 0.1160523800000000, 0.0044947100000000 ] - [ 0.0409855000000000, 0.0534459200000000, -0.0064026100000000 ] - [ -0.0413852600000000, 0.0527438600000000, 0.0068457900000000 ] - [ -0.0412229600000000, 0.0525305600000000, 0.0066480700000000 ] - [ -0.0411168200000000, -0.0523778400000000, 0.0064499300000000 ] - [ -0.0412761300000000, -0.0525905500000000, 0.0066448700000000 ] - [ 0.0721373200000000, 0.0133285800000000, -0.0185516300000000 ] - [ 0.0415408700000000, -0.0516858500000000, -0.0069051300000000 ] - [ -0.0299625400000000, -0.0103510600000000, 0.0117588000000000 ] - [ -0.0292831200000000, -0.0107996800000000, 0.0071015400000000 ] - [ 0.0294388300000000, -0.0108699200000000, -0.0072803400000000 ] - [ 0.0292462900000000, -0.0108276500000000, -0.0071344900000000 ] - [ 0.0290626300000000, 0.0107748700000000, -0.0069732600000000 ] - [ 0.0292539700000000, 0.0108151200000000, -0.0071167600000000 ] - [ -0.0285102500000000, 0.0113866100000000, 0.0025222900000000 ] - [ -0.0292118200000000, 0.0108530100000000, 0.0071468600000000 ] - [ 0.0098685100000000, -0.1517133700000000, -0.0099790100000000 ] - [ 0.0117061600000000, 0.0001519400000000, -0.0107379300000000 ] - [ -0.0117162900000000, -0.0000577700000000, 0.0107428700000000 ] - [ -0.0117166100000000, -0.0000439100000000, 0.0107412000000000 ] - [ 0.0044297600000000, -0.0000151000000000, -0.0170507100000000 ] - [ 0.0044030800000000, -0.0000144800000000, -0.0170354700000000 ] - [ -0.0040315400000000, -0.0007439200000000, 0.0168024800000000 ] - [ -0.0047964100000000, -0.0007326200000000, 0.0172458200000000 ] - [ 0.0179150900000000, 0.0001193000000000, -0.0035487400000000 ] - [ 0.0179239600000000, -0.0000022400000000, -0.0035527400000000 ] - [ -0.0179244600000000, 0.0000581900000000, 0.0035546600000000 ] - [ -0.0179237100000000, 0.0000098700000000, 0.0035541900000000 ] - [ 0.0139209300000000, -0.0005603200000000, 0.0151343100000000 ] - [ 0.0139234500000000, 0.0001290600000000, 0.0151497700000000 ] - [ -0.0139395400000000, 0.0012766200000000, -0.0151475300000000 ] - [ -0.0139256200000000, -0.0006201300000000, -0.0151495800000000 ] - [ -0.0152540000000000, 0.0342158600000000, -0.0029034500000000 ] - [ -0.0152840400000000, 0.0342550400000000, -0.0031116500000000 ] - [ 0.0153785800000000, 0.0342314600000000, 0.0030801800000000 ] - [ 0.0154001000000000, 0.0342431700000000, 0.0030421000000000 ] - [ 0.0154209600000000, -0.0342521900000000, 0.0030436700000000 ] - [ 0.0153982100000000, -0.0342393700000000, 0.0030836700000000 ] - [ -0.0155464500000000, -0.0342676600000000, -0.0032176500000000 ] - [ -0.0155159300000000, -0.0342253800000000, -0.0030135200000000 ] - [ -0.0251121300000000, -0.0324311900000000, 0.0360668900000000 ] - [ -0.0294026100000000, -0.0311167800000000, 0.0345225900000000 ] - [ 0.0296852400000000, -0.0309307200000000, -0.0341792200000000 ] - [ 0.0294589800000000, -0.0311163900000000, -0.0343450400000000 ] - [ 0.0292710800000000, 0.0311851800000000, -0.0347093000000000 ] - [ 0.0294868500000000, 0.0310055600000000, -0.0345303500000000 ] - [ -0.0337943800000000, 0.0296042800000000, 0.0328178300000000 ] - [ -0.0295429200000000, 0.0309946000000000, 0.0343556000000000 ] - [ -0.0008439000000000, 0.0100774100000000, 0.0119097000000000 ] - [ -0.0006348800000000, 0.0100814100000000, 0.0120468200000000 ] - [ 0.0006684900000000, 0.0100477900000000, -0.0121647700000000 ] - [ 0.0005941300000000, 0.0101499600000000, -0.0120122700000000 ] - [ 0.0005886800000000, -0.0101535600000000, -0.0119526600000000 ] - [ 0.0006644300000000, -0.0100547000000000, -0.0121054500000000 ] - [ -0.0004075700000000, -0.0101244600000000, 0.0122066200000000 ] - [ -0.0006238200000000, -0.0101237900000000, 0.0120641500000000 ] - [ 0.0420251500000000, 0.0535701400000000, -0.0059466500000000 ] - [ 0.0413775800000000, 0.0522392000000000, -0.0067389400000000 ] - [ -0.0430757700000000, 0.0536007900000000, 0.0111420800000000 ] - [ -0.0412111300000000, 0.0528071000000000, 0.0068962100000000 ] - [ -0.0394462300000000, -0.0515402100000000, 0.0021427400000000 ] - [ -0.0412882900000000, -0.0523118100000000, 0.0063909100000000 ] - [ 0.0404740700000000, -0.0515518100000000, -0.0073531900000000 ] - [ 0.0411258700000000, -0.0528891300000000, -0.0065573200000000 ] - [ -0.0293872700000000, -0.0107114900000000, 0.0072210800000000 ] - [ -0.0292286200000000, -0.0108429300000000, 0.0071248700000000 ] - [ 0.0288337800000000, -0.0098169400000000, -0.0069188400000000 ] - [ 0.0291579300000000, -0.0110386400000000, -0.0072053200000000 ] - [ 0.0296687200000000, 0.0118325800000000, -0.0073362200000000 ] - [ 0.0293439800000000, 0.0106020500000000, -0.0070447300000000 ] - [ -0.0291075900000000, 0.0109280900000000, 0.0070350700000000 ] - [ -0.0292720800000000, 0.0108014200000000, 0.0071287500000000 ] - [ 0.0120546400000000, 0.0002382800000000, -0.0103874600000000 ] - [ 0.0113803600000000, 0.0002421500000000, -0.0110857200000000 ] - [ -0.0116935900000000, -0.0003611900000000, 0.0109997300000000 ] - [ -0.0117370400000000, -0.0003640100000000, 0.0104921100000000 ] - [ 0.0044142600000000, 0.0001537200000000, -0.0170454900000000 ] - [ 0.0044157000000000, 0.0000598300000000, -0.0170468400000000 ] - [ -0.0044054100000000, -0.0001680000000000, 0.0170359800000000 ] - [ -0.0044145100000000, -0.0000105800000000, 0.0170442800000000 ] - [ 0.0179054500000000, 0.0000528500000000, -0.0035671900000000 ] - [ 0.0179422600000000, 0.0000523400000000, -0.0035409300000000 ] - [ -0.0179305700000000, 0.0000347400000000, 0.0035759200000000 ] - [ -0.0179160000000000, 0.0000322900000000, 0.0035313200000000 ] - [ 0.0140491200000000, 0.0002656300000000, 0.0144713600000000 ] - [ 0.0137915300000000, 0.0002665800000000, 0.0158285900000000 ] - [ -0.0141344900000000, -0.0001958700000000, -0.0152267100000000 ] - [ -0.0137251800000000, -0.0001937900000000, -0.0150825800000000 ] - [ -0.0153849100000000, 0.0341510900000000, -0.0030947300000000 ] - [ -0.0153901300000000, 0.0342440400000000, -0.0030536500000000 ] - [ 0.0153672500000000, 0.0344947100000000, 0.0030346100000000 ] - [ 0.0153899800000000, 0.0342241300000000, 0.0030915000000000 ] - [ 0.0154296300000000, -0.0339789100000000, 0.0030991000000000 ] - [ 0.0154066100000000, -0.0342555100000000, 0.0030306900000000 ] - [ -0.0154123500000000, -0.0343296000000000, -0.0030342200000000 ] - [ -0.0154090300000000, -0.0342389000000000, -0.0030727000000000 ] - [ -0.0244080000000000, -0.0300562500000000, 0.0335050300000000 ] - [ -0.0292851100000000, -0.0311457300000000, 0.0343274000000000 ] - [ 0.0293362500000000, -0.0307143100000000, -0.0338925500000000 ] - [ 0.0294654700000000, -0.0311998200000000, -0.0343454500000000 ] - [ 0.0296061900000000, 0.0314139100000000, -0.0349770600000000 ] - [ 0.0294807200000000, 0.0309215300000000, -0.0345282800000000 ] - [ -0.0345440000000000, 0.0320753900000000, 0.0353888700000000 ] - [ -0.0296568200000000, 0.0309677800000000, 0.0345507500000000 ] - [ -0.0007501700000000, 0.0101759100000000, 0.0121603600000000 ] - [ -0.0005654900000000, 0.0100568900000000, 0.0120116100000000 ] - [ 0.0009481500000000, 0.0101132900000000, -0.0119661600000000 ] - [ 0.0005046500000000, 0.0101893400000000, -0.0120832200000000 ] - [ 0.0003135600000000, -0.0100957500000000, -0.0121479600000000 ] - [ 0.0007540900000000, -0.0100173200000000, -0.0120345300000000 ] - [ -0.0005086400000000, -0.0100291800000000, 0.0119595500000000 ] - [ -0.0006917600000000, -0.0101470200000000, 0.0121056100000000 ] - [ -0.0115033400000000, 0.0018067000000000, 0.0166844000000000 ] - [ -0.0116011200000000, 0.0018544800000000, 0.0167167900000000 ] - [ 0.0115049500000000, 0.0000002200000000, -0.0166591700000000 ] - [ 0.0115721700000000, 0.0000011100000000, -0.0167259700000000 ] - [ -0.0377523400000000, 0.0000193800000000, 0.0130654200000000 ] - [ -0.0377546300000000, 0.0000104700000000, 0.0130618400000000 ] - [ 0.0377485300000000, 0.0003526700000000, -0.0130627500000000 ] - [ 0.0377523900000000, -0.0001248900000000, -0.0130604400000000 ] - [ -0.0200592600000000, -0.0001424800000000, 0.0120865200000000 ] - [ -0.0197648200000000, -0.0001410600000000, 0.0119401300000000 ] - [ 0.0199213800000000, -0.0000042300000000, -0.0120000600000000 ] - [ 0.0199084400000000, -0.0000041000000000, -0.0120242200000000 ] - [ -0.0161629900000000, 0.0000123400000000, 0.0201754300000000 ] - [ -0.0162604100000000, 0.0000103800000000, 0.0202315400000000 ] - [ 0.0163244900000000, -0.0002456100000000, -0.0200842400000000 ] - [ 0.0161081500000000, -0.0002431200000000, -0.0203241900000000 ] - [ -0.0115391300000000, 0.0001647100000000, 0.0166973200000000 ] - [ -0.0115381600000000, 0.0000590300000000, 0.0166939100000000 ] - [ 0.0115551800000000, 0.0047157200000000, -0.0167006500000000 ] - [ 0.0115379800000000, 0.0001538200000000, -0.0166941200000000 ] - [ -0.0376655400000000, 0.0000498200000000, 0.0129418700000000 ] - [ -0.0378444400000000, 0.0000518300000000, 0.0131821100000000 ] - [ 0.0377431800000000, -0.0000188100000000, -0.0130557500000000 ] - [ 0.0377655400000000, -0.0000191500000000, -0.0130711100000000 ] - [ -0.0199159100000000, 0.0000163300000000, 0.0120127000000000 ] - [ -0.0199149400000000, 0.0000093700000000, 0.0120111900000000 ] - [ 0.0199141300000000, -0.0000812300000000, -0.0120101700000000 ] - [ 0.0199156000000000, 0.0000038100000000, -0.0120116000000000 ] - [ -0.0162123800000000, 0.0000580800000000, 0.0202042100000000 ] - [ -0.0162123000000000, 0.0000379200000000, 0.0202037800000000 ] - [ 0.0162274600000000, 0.0062388100000000, -0.0201983300000000 ] - [ 0.0162129300000000, 0.0000695800000000, -0.0202045800000000 ]- atom: 17 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0249763500000000, 0.0689457200000000, 0.0065052900000000 ] - [ 0.0402779400000000, 0.0530745600000000, -0.0059896300000000 ] - [ -0.0417459100000000, 0.0529907200000000, 0.0070278100000000 ] - [ -0.0412430900000000, 0.0526236300000000, 0.0067458100000000 ] - [ -0.0417459100000000, -0.0529907200000000, 0.0070278100000000 ] - [ -0.0412430900000000, -0.0526236300000000, 0.0067458100000000 ] - [ 0.0249763500000000, -0.0689457200000000, 0.0065052900000000 ] - [ 0.0402779400000000, -0.0530745600000000, -0.0059896300000000 ] - [ -0.0326790300000000, -0.0050884800000000, 0.0075219800000000 ] - [ -0.0296607900000000, -0.0106766000000000, 0.0075208300000000 ] - [ 0.0293856600000000, -0.0107707500000000, -0.0070202500000000 ] - [ 0.0292563500000000, -0.0108533200000000, -0.0070905800000000 ] - [ 0.0293856600000000, 0.0107707500000000, -0.0070202500000000 ] - [ 0.0292563500000000, 0.0108533200000000, -0.0070905800000000 ] - [ -0.0326790300000000, 0.0050884800000000, 0.0075219800000000 ] - [ -0.0296607900000000, 0.0106766000000000, 0.0075208300000000 ] - [ 0.0535980900000000, 0.0000000000000000, -0.1000036400000000 ] - [ 0.0130315500000000, 0.0000000000000000, -0.0116477700000000 ] - [ -0.0117068500000000, 0.0000000000000000, 0.0105410800000000 ] - [ -0.0117036800000000, 0.0000000000000000, 0.0106502400000000 ] - [ 0.0044426600000000, -0.0000279700000000, -0.0169830600000000 ] - [ 0.0044426600000000, 0.0000279700000000, -0.0169830600000000 ] - [ -0.0044376800000000, 0.0000077600000000, 0.0191719500000000 ] - [ -0.0044376800000000, -0.0000077600000000, 0.0191719500000000 ] - [ 0.0177826900000000, 0.0000000000000000, -0.0033755600000000 ] - [ 0.0178949900000000, 0.0000000000000000, -0.0034870300000000 ] - [ -0.0178578400000000, 0.0000000000000000, 0.0034175300000000 ] - [ -0.0180341400000000, 0.0000000000000000, 0.0034148100000000 ] - [ 0.0172738600000000, 0.0000000000000000, 0.0191273300000000 ] - [ 0.0140007100000000, 0.0000000000000000, 0.0152006600000000 ] - [ -0.0137762500000000, 0.0000000000000000, -0.0148652200000000 ] - [ -0.0137783400000000, 0.0000000000000000, -0.0149204000000000 ] - [ -0.0153559400000000, 0.0341869900000000, -0.0031726700000000 ] - [ -0.0153315300000000, 0.0341877500000000, -0.0029992200000000 ] - [ 0.0154581900000000, 0.0342992800000000, 0.0030683100000000 ] - [ 0.0154343300000000, 0.0342420300000000, 0.0030096400000000 ] - [ 0.0154581900000000, -0.0342992800000000, 0.0030683100000000 ] - [ 0.0154343300000000, -0.0342420300000000, 0.0030096400000000 ] - [ -0.0153559400000000, -0.0341869900000000, -0.0031726700000000 ] - [ -0.0153315300000000, -0.0341877500000000, -0.0029992200000000 ] - [ -0.0312225300000000, -0.0305067700000000, 0.0335595100000000 ] - [ -0.0296549300000000, -0.0310461500000000, 0.0341589000000000 ] - [ 0.0296146100000000, -0.0305317700000000, -0.0349485800000000 ] - [ 0.0294070900000000, -0.0310160000000000, -0.0346126700000000 ] - [ 0.0296146100000000, 0.0305317700000000, -0.0349485800000000 ] - [ 0.0294070900000000, 0.0310160000000000, -0.0346126700000000 ] - [ -0.0312225300000000, 0.0305067700000000, 0.0335595100000000 ] - [ -0.0296549300000000, 0.0310461500000000, 0.0341589000000000 ] - [ -0.0008430200000000, 0.0102297400000000, 0.0123543200000000 ] - [ -0.0007468300000000, 0.0102256400000000, 0.0121325900000000 ] - [ 0.0006132000000000, 0.0101915100000000, -0.0120478000000000 ] - [ 0.0006279500000000, 0.0100908300000000, -0.0120878500000000 ] - [ 0.0006132000000000, -0.0101915100000000, -0.0120478000000000 ] - [ 0.0006279500000000, -0.0100908300000000, -0.0120878500000000 ] - [ -0.0008430200000000, -0.0102297400000000, 0.0123543200000000 ] - [ -0.0007468300000000, -0.0102256400000000, 0.0121325900000000 ] - [ 0.0413331700000000, 0.0528768100000000, -0.0060447400000000 ] - [ 0.0411434800000000, 0.0526643000000000, -0.0064846700000000 ] - [ -0.0432986800000000, 0.0557772000000000, 0.0117342500000000 ] - [ -0.0414318900000000, 0.0529548500000000, 0.0069820700000000 ] - [ -0.0432986800000000, -0.0557772000000000, 0.0117342500000000 ] - [ -0.0414318900000000, -0.0529548500000000, 0.0069820700000000 ] - [ 0.0413331700000000, -0.0528768100000000, -0.0060447400000000 ] - [ 0.0411434800000000, -0.0526643000000000, -0.0064846700000000 ] - [ -0.0294100100000000, -0.0101958900000000, 0.0075104200000000 ] - [ -0.0292884000000000, -0.0107659200000000, 0.0072159000000000 ] - [ 0.0288762600000000, -0.0102064200000000, -0.0068353500000000 ] - [ 0.0291182600000000, -0.0109522900000000, -0.0071374100000000 ] - [ 0.0288762600000000, 0.0102064200000000, -0.0068353500000000 ] - [ 0.0291182600000000, 0.0109522900000000, -0.0071374100000000 ] - [ -0.0294100100000000, 0.0101958900000000, 0.0075104200000000 ] - [ -0.0292884000000000, 0.0107659200000000, 0.0072159000000000 ] - [ 0.0115715000000000, -0.0002332300000000, -0.0112870100000000 ] - [ 0.0115715000000000, 0.0002332300000000, -0.0112870100000000 ] - [ -0.0110358600000000, 0.0002418300000000, 0.0098030500000000 ] - [ -0.0110358600000000, -0.0002418300000000, 0.0098030500000000 ] - [ 0.0043912200000000, 0.0000000000000000, -0.0167502200000000 ] - [ 0.0043573600000000, 0.0000000000000000, -0.0166964200000000 ] - [ -0.0027962400000000, 0.0000000000000000, 0.0183251800000000 ] - [ -0.0044687800000000, 0.0000000000000000, 0.0170244900000000 ] - [ 0.0179410600000000, -0.0000148800000000, -0.0034987800000000 ] - [ 0.0179410600000000, 0.0000148800000000, -0.0034987800000000 ] - [ -0.0180683800000000, -0.0000435200000000, 0.0035028000000000 ] - [ -0.0180683800000000, 0.0000435200000000, 0.0035028000000000 ] - [ 0.0142489400000000, -0.0000640800000000, 0.0155640500000000 ] - [ 0.0142489400000000, 0.0000640800000000, 0.0155640500000000 ] - [ -0.0132115400000000, -0.0000224000000000, -0.0149715900000000 ] - [ -0.0132115400000000, 0.0000224000000000, -0.0149715900000000 ] - [ -0.0152985300000000, 0.0342115700000000, -0.0030385800000000 ] - [ -0.0152946600000000, 0.0341830100000000, -0.0030067200000000 ] - [ 0.0155592700000000, 0.0344940200000000, 0.0028670800000000 ] - [ 0.0155032300000000, 0.0345012800000000, 0.0034338300000000 ] - [ 0.0155592700000000, -0.0344940200000000, 0.0028670800000000 ] - [ 0.0155032300000000, -0.0345012800000000, 0.0034338300000000 ] - [ -0.0152985300000000, -0.0342115700000000, -0.0030385800000000 ] - [ -0.0152946600000000, -0.0341830100000000, -0.0030067200000000 ] - [ -0.0313848100000000, -0.0315359600000000, 0.0343549500000000 ] - [ -0.0294571900000000, -0.0312034700000000, 0.0342675100000000 ] - [ 0.0291282100000000, -0.0305057000000000, -0.0353381800000000 ] - [ 0.0294938700000000, -0.0309881900000000, -0.0346344600000000 ] - [ 0.0291282100000000, 0.0305057000000000, -0.0353381800000000 ] - [ 0.0294938700000000, 0.0309881900000000, -0.0346344600000000 ] - [ -0.0313848100000000, 0.0315359600000000, 0.0343549500000000 ] - [ -0.0294571900000000, 0.0312034700000000, 0.0342675100000000 ] - [ -0.0004323700000000, 0.0101213400000000, 0.0120736700000000 ] - [ -0.0007021500000000, 0.0099861300000000, 0.0120763800000000 ] - [ 0.0005901200000000, 0.0101148200000000, -0.0122922900000000 ] - [ 0.0006274600000000, 0.0099826200000000, -0.0121355000000000 ] - [ 0.0005901200000000, -0.0101148200000000, -0.0122922900000000 ] - [ 0.0006274600000000, -0.0099826200000000, -0.0121355000000000 ] - [ -0.0004323700000000, -0.0101213400000000, 0.0120736700000000 ] - [ -0.0007021500000000, -0.0099861300000000, 0.0120763800000000 ] - [ -0.0104619600000000, -0.0008998100000000, 0.0164447300000000 ] - [ -0.0104619600000000, 0.0008998100000000, 0.0164447300000000 ] - [ 0.0115400700000000, 0.0000806100000000, -0.0168156500000000 ] - [ 0.0115400700000000, -0.0000806100000000, -0.0168156500000000 ] - [ -0.0378344700000000, 0.0000000000000000, 0.0128684800000000 ] - [ -0.0377308600000000, 0.0000000000000000, 0.0130484500000000 ] - [ 0.0379040800000000, 0.0000000000000000, -0.0127573000000000 ] - [ 0.0379241000000000, 0.0000000000000000, -0.0131650000000000 ] - [ -0.0202587300000000, 0.0001351800000000, 0.0120567700000000 ] - [ -0.0202587300000000, -0.0001351800000000, 0.0120567700000000 ] - [ 0.0199142400000000, -0.0000014400000000, -0.0120265900000000 ] - [ 0.0199142400000000, 0.0000014400000000, -0.0120265900000000 ] - [ -0.0162411100000000, 0.0000360900000000, 0.0202690200000000 ] - [ -0.0162411100000000, -0.0000360900000000, 0.0202690200000000 ] - [ 0.0164827800000000, 0.0000149800000000, -0.0199962200000000 ] - [ 0.0164827800000000, -0.0000149800000000, -0.0199962200000000 ] - [ -0.0113748700000000, 0.0000000000000000, 0.0164831100000000 ] - [ -0.0115241600000000, 0.0000000000000000, 0.0166402600000000 ] - [ 0.0116849400000000, 0.0000000000000000, 0.0236913700000000 ] - [ 0.0116067000000000, 0.0000000000000000, -0.0166912700000000 ] - [ -0.0377970100000000, 0.0000102700000000, 0.0131716600000000 ] - [ -0.0377970100000000, -0.0000102700000000, 0.0131716600000000 ] - [ 0.0377811100000000, 0.0000228200000000, -0.0130414200000000 ] - [ 0.0377811100000000, -0.0000228200000000, -0.0130414200000000 ] - [ -0.0198046400000000, 0.0000000000000000, 0.0120292400000000 ] - [ -0.0198764500000000, 0.0000000000000000, 0.0120430800000000 ] - [ 0.0199106700000000, 0.0000000000000000, -0.0120197100000000 ] - [ 0.0198039500000000, 0.0000000000000000, -0.0120246400000000 ] - [ -0.0162180000000000, 0.0000000000000000, 0.0202782000000000 ] - [ -0.0162407200000000, 0.0000000000000000, 0.0202227700000000 ] - [ 0.0185689900000000, 0.0000000000000000, -0.0175653200000000 ] - [ 0.0162867900000000, 0.0000000000000000, -0.0201720000000000 ]- atom: 17 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0576235900000000, 0.0360277200000000, -0.0195547400000000 ] - [ 0.0422160500000000, 0.0520484200000000, -0.0072988800000000 ] - [ -0.0407647400000000, 0.0521444300000000, 0.0062762300000000 ] - [ -0.0412574800000000, 0.0525033300000000, 0.0065542100000000 ] - [ -0.0407647400000000, -0.0521444300000000, 0.0062762300000000 ] - [ -0.0412574800000000, -0.0525033300000000, 0.0065542100000000 ] - [ 0.0576235900000000, -0.0360277200000000, -0.0195547400000000 ] - [ 0.0422160500000000, -0.0520484200000000, -0.0072988800000000 ] - [ -0.0257519000000000, -0.0166047300000000, 0.0067518000000000 ] - [ -0.0288288200000000, -0.0109728100000000, 0.0067290500000000 ] - [ 0.0291159300000000, -0.0108750400000000, -0.0072300700000000 ] - [ 0.0292456300000000, -0.0107899900000000, -0.0071617900000000 ] - [ 0.0291159300000000, 0.0108750400000000, -0.0072300700000000 ] - [ 0.0292456300000000, 0.0107899900000000, -0.0071617900000000 ] - [ -0.0257519000000000, 0.0166047300000000, 0.0067518000000000 ] - [ -0.0288288200000000, 0.0109728100000000, 0.0067290500000000 ] - [ -0.0307620200000000, 0.0000000000000000, 0.0756282400000000 ] - [ 0.0104159400000000, 0.0000000000000000, -0.0098467400000000 ] - [ -0.0117258500000000, 0.0000000000000000, 0.0109345700000000 ] - [ -0.0117292700000000, 0.0000000000000000, 0.0108292600000000 ] - [ 0.0043890200000000, 0.0000273600000000, -0.0171022300000000 ] - [ 0.0043890200000000, -0.0000273600000000, -0.0171022300000000 ] - [ -0.0043903500000000, -0.0000295400000000, 0.0148846900000000 ] - [ -0.0043903500000000, 0.0000295400000000, 0.0148846900000000 ] - [ 0.0180661800000000, 0.0000000000000000, -0.0037249600000000 ] - [ 0.0179502600000000, 0.0000000000000000, -0.0036185000000000 ] - [ -0.0179960600000000, 0.0000000000000000, 0.0036912200000000 ] - [ -0.0178141700000000, 0.0000000000000000, 0.0036940000000000 ] - [ 0.0106564700000000, 0.0000000000000000, 0.0112238800000000 ] - [ 0.0138495600000000, 0.0000000000000000, 0.0151044600000000 ] - [ -0.0140809200000000, 0.0000000000000000, -0.0154326200000000 ] - [ -0.0140694200000000, 0.0000000000000000, -0.0153761400000000 ] - [ -0.0154432600000000, 0.0342977700000000, -0.0029502600000000 ] - [ -0.0154686600000000, 0.0342923100000000, -0.0031286300000000 ] - [ 0.0153406800000000, 0.0341821700000000, 0.0030566300000000 ] - [ 0.0153641500000000, 0.0342405200000000, 0.0031164600000000 ] - [ 0.0153406800000000, -0.0341821700000000, 0.0030566300000000 ] - [ 0.0153641500000000, -0.0342405200000000, 0.0031164600000000 ] - [ -0.0154432600000000, -0.0342977700000000, -0.0029502600000000 ] - [ -0.0154686600000000, -0.0342923100000000, -0.0031286300000000 ] - [ -0.0277472400000000, -0.0315813100000000, 0.0352807800000000 ] - [ -0.0292936300000000, -0.0310697400000000, 0.0347112000000000 ] - [ 0.0293365000000000, -0.0315725600000000, -0.0339429800000000 ] - [ 0.0295386600000000, -0.0311037000000000, -0.0342700300000000 ] - [ 0.0293365000000000, 0.0315725600000000, -0.0339429800000000 ] - [ 0.0295386600000000, 0.0311037000000000, -0.0342700300000000 ] - [ -0.0277472400000000, 0.0315813100000000, 0.0352807800000000 ] - [ -0.0292936300000000, 0.0310697400000000, 0.0347112000000000 ] - [ -0.0004083900000000, 0.0099686200000000, 0.0117674300000000 ] - [ -0.0005095400000000, 0.0099828300000000, 0.0119818400000000 ] - [ 0.0006445500000000, 0.0100103800000000, -0.0120678700000000 ] - [ 0.0006289500000000, 0.0101132000000000, -0.0120299900000000 ] - [ 0.0006445500000000, -0.0100103800000000, -0.0120678700000000 ] - [ 0.0006289500000000, -0.0101132000000000, -0.0120299900000000 ] - [ -0.0004083900000000, -0.0099686200000000, 0.0117674300000000 ] - [ -0.0005095400000000, -0.0099828300000000, 0.0119818400000000 ] - [ 0.0411671100000000, 0.0522579700000000, -0.0072367900000000 ] - [ 0.0413578700000000, 0.0524635600000000, -0.0068077200000000 ] - [ -0.0392699300000000, 0.0494654200000000, 0.0016195300000000 ] - [ -0.0410808000000000, 0.0521729900000000, 0.0063180900000000 ] - [ -0.0392699300000000, -0.0494654200000000, 0.0016195300000000 ] - [ -0.0410808000000000, -0.0521729900000000, 0.0063180900000000 ] - [ 0.0411671100000000, -0.0522579700000000, -0.0072367900000000 ] - [ 0.0413578700000000, -0.0524635600000000, -0.0068077200000000 ] - [ -0.0290869400000000, -0.0114433400000000, 0.0067415600000000 ] - [ -0.0292121900000000, -0.0108764100000000, 0.0070365500000000 ] - [ 0.0296277000000000, -0.0114512700000000, -0.0074016900000000 ] - [ 0.0293869500000000, -0.0106923500000000, -0.0071098700000000 ] - [ 0.0296277000000000, 0.0114512700000000, -0.0074016900000000 ] - [ 0.0293869500000000, 0.0106923500000000, -0.0071098700000000 ] - [ -0.0290869400000000, 0.0114433400000000, 0.0067415600000000 ] - [ -0.0292121900000000, 0.0108764100000000, 0.0070365500000000 ] - [ 0.0118579600000000, 0.0002314900000000, -0.0102026800000000 ] - [ 0.0118579600000000, -0.0002314900000000, -0.0102026800000000 ] - [ -0.0123630500000000, -0.0002293900000000, 0.0116550400000000 ] - [ -0.0123630500000000, 0.0002293900000000, 0.0116550400000000 ] - [ 0.0044321400000000, 0.0000000000000000, -0.0173320000000000 ] - [ 0.0044729500000000, 0.0000000000000000, -0.0173921700000000 ] - [ -0.0060057100000000, 0.0000000000000000, 0.0157747500000000 ] - [ -0.0043616400000000, 0.0000000000000000, 0.0170660300000000 ] - [ 0.0179070500000000, 0.0000145800000000, -0.0036079900000000 ] - [ 0.0179070500000000, -0.0000145800000000, -0.0036079900000000 ] - [ -0.0177800600000000, 0.0000499500000000, 0.0036070400000000 ] - [ -0.0177800600000000, -0.0000499500000000, 0.0036070400000000 ] - [ 0.0136067900000000, 0.0000665200000000, 0.0147463900000000 ] - [ 0.0136067900000000, -0.0000665200000000, 0.0147463900000000 ] - [ -0.0146357500000000, 0.0000209100000000, -0.0153205800000000 ] - [ -0.0146357500000000, -0.0000209100000000, -0.0153205800000000 ] - [ -0.0154976800000000, 0.0342700300000000, -0.0030871200000000 ] - [ -0.0155045000000000, 0.0343005000000000, -0.0031174900000000 ] - [ 0.0152388900000000, 0.0339892300000000, 0.0032583700000000 ] - [ 0.0152956200000000, 0.0339799800000000, 0.0026869000000000 ] - [ 0.0152388900000000, -0.0339892300000000, 0.0032583700000000 ] - [ 0.0152956200000000, -0.0339799800000000, 0.0026869000000000 ] - [ -0.0154976800000000, -0.0342700300000000, -0.0030871200000000 ] - [ -0.0155045000000000, -0.0343005000000000, -0.0031174900000000 ] - [ -0.0275705100000000, -0.0305766100000000, 0.0345089600000000 ] - [ -0.0294873300000000, -0.0309130700000000, 0.0346007900000000 ] - [ 0.0297965900000000, -0.0316027500000000, -0.0335671300000000 ] - [ 0.0294521900000000, -0.0311278800000000, -0.0342476300000000 ] - [ 0.0297965900000000, 0.0316027500000000, -0.0335671300000000 ] - [ 0.0294521900000000, 0.0311278800000000, -0.0342476300000000 ] - [ -0.0275705100000000, 0.0305766100000000, 0.0345089600000000 ] - [ -0.0294873300000000, 0.0309130700000000, 0.0346007900000000 ] - [ -0.0008271600000000, 0.0100842300000000, 0.0120450400000000 ] - [ -0.0005560700000000, 0.0102185500000000, 0.0120406200000000 ] - [ 0.0006717400000000, 0.0100833900000000, -0.0118120000000000 ] - [ 0.0006323900000000, 0.0102244900000000, -0.0119809200000000 ] - [ 0.0006717400000000, -0.0100833900000000, -0.0118120000000000 ] - [ 0.0006323900000000, -0.0102244900000000, -0.0119809200000000 ] - [ -0.0008271600000000, -0.0100842300000000, 0.0120450400000000 ] - [ -0.0005560700000000, -0.0102185500000000, 0.0120406200000000 ] - [ -0.0126171400000000, 0.0008870300000000, 0.0169310800000000 ] - [ -0.0126171400000000, -0.0008870300000000, 0.0169310800000000 ] - [ 0.0115374200000000, -0.0000788600000000, -0.0165747600000000 ] - [ 0.0115374200000000, 0.0000788600000000, -0.0165747600000000 ] - [ -0.0376704100000000, 0.0000000000000000, 0.0132627100000000 ] - [ -0.0377787000000000, 0.0000000000000000, 0.0130779100000000 ] - [ 0.0376055900000000, 0.0000000000000000, -0.0133771200000000 ] - [ 0.0375805200000000, 0.0000000000000000, -0.0129571700000000 ] - [ -0.0195693200000000, -0.0001381800000000, 0.0119659000000000 ] - [ -0.0195693200000000, 0.0001381800000000, 0.0119659000000000 ] - [ 0.0199169700000000, 0.0000013100000000, -0.0119962500000000 ] - [ 0.0199169700000000, -0.0000013100000000, -0.0119962500000000 ] - [ -0.0161806100000000, -0.0000338500000000, 0.0201358900000000 ] - [ -0.0161806100000000, 0.0000338500000000, 0.0201358900000000 ] - [ 0.0159457100000000, -0.0000202200000000, -0.0204091200000000 ] - [ 0.0159457100000000, 0.0000202200000000, -0.0204091200000000 ] - [ -0.0116996400000000, 0.0000000000000000, 0.0169024700000000 ] - [ -0.0115517400000000, 0.0000000000000000, 0.0167463100000000 ] - [ 0.0115026200000000, 0.0000000000000000, -0.0549093300000000 ] - [ 0.0114718300000000, 0.0000000000000000, -0.0166962700000000 ] - [ -0.0377085800000000, -0.0000104300000000, 0.0129522500000000 ] - [ -0.0377085800000000, 0.0000104300000000, 0.0129522500000000 ] - [ 0.0377270000000000, -0.0000223700000000, -0.0130834700000000 ] - [ 0.0377270000000000, 0.0000223700000000, -0.0130834700000000 ] - [ -0.0200253500000000, 0.0000000000000000, 0.0119928900000000 ] - [ -0.0199532300000000, 0.0000000000000000, 0.0119781800000000 ] - [ 0.0199212700000000, 0.0000000000000000, -0.0120047100000000 ] - [ 0.0200290500000000, 0.0000000000000000, -0.0119979100000000 ] - [ -0.0162043500000000, 0.0000000000000000, 0.0201292300000000 ] - [ -0.0161826500000000, 0.0000000000000000, 0.0201832900000000 ] - [ 0.0140043100000000, 0.0000000000000000, -0.0226419000000000 ] - [ 0.0161364000000000, 0.0000000000000000, -0.0202311200000000 ]- atom: 21 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0412804200000000, 0.0525806500000000, -0.0066901200000000 ] - [ 0.0412154100000000, 0.0525321700000000, -0.0066303900000000 ] - [ -0.0390311800000000, 0.0555946600000000, 0.0025911000000000 ] - [ -0.0413069700000000, 0.0526552900000000, 0.0063922700000000 ] - [ -0.0413069700000000, -0.0526552900000000, 0.0063922700000000 ] - [ -0.0390311800000000, -0.0555946600000000, 0.0025911000000000 ] - [ 0.0412154100000000, -0.0525321700000000, -0.0066303900000000 ] - [ 0.0412804200000000, -0.0525806500000000, -0.0066901200000000 ] - [ -0.0291590500000000, -0.0108710300000000, 0.0070215000000000 ] - [ -0.0292354700000000, -0.0107753700000000, 0.0071306600000000 ] - [ 0.0674976300000000, 0.0215108600000000, -0.0136031400000000 ] - [ 0.0297689700000000, -0.0106495300000000, -0.0079091700000000 ] - [ 0.0297689700000000, 0.0106495300000000, -0.0079091700000000 ] - [ 0.0674976300000000, -0.0215108600000000, -0.0136031400000000 ] - [ -0.0292354700000000, 0.0107753700000000, 0.0071306600000000 ] - [ -0.0291590500000000, 0.0108710300000000, 0.0070215000000000 ] - [ 0.0117722400000000, 0.0000130100000000, -0.0106962800000000 ] - [ 0.0117722400000000, -0.0000130100000000, -0.0106962800000000 ] - [ -0.0115383600000000, -0.0003746600000000, 0.0107700300000000 ] - [ -0.0115383600000000, 0.0003746600000000, 0.0107700300000000 ] - [ -0.1091492900000000, 0.0000000000000000, -0.0142051800000000 ] - [ 0.0032038100000000, 0.0000000000000000, -0.0165477600000000 ] - [ -0.0042611500000000, 0.0000000000000000, 0.0171594200000000 ] - [ -0.0045138200000000, 0.0000000000000000, 0.0170532000000000 ] - [ 0.0179731200000000, 0.0000147100000000, -0.0034826400000000 ] - [ 0.0179731200000000, -0.0000147100000000, -0.0034826400000000 ] - [ -0.0181035400000000, 0.0000073700000000, 0.0045319700000000 ] - [ -0.0181035400000000, -0.0000073700000000, 0.0045319700000000 ] - [ 0.0139892100000000, 0.0003237200000000, 0.0144954000000000 ] - [ 0.0139892100000000, -0.0003237200000000, 0.0144954000000000 ] - [ -0.0140999800000000, 0.0003052200000000, -0.0152367900000000 ] - [ -0.0140999800000000, -0.0003052200000000, -0.0152367900000000 ] - [ -0.0152727500000000, 0.0341312100000000, -0.0030318800000000 ] - [ -0.0149214500000000, 0.0342622400000000, -0.0028748300000000 ] - [ 0.0154627200000000, 0.0342610800000000, 0.0031782000000000 ] - [ 0.0151598600000000, 0.0347669300000000, 0.0030566300000000 ] - [ 0.0151598600000000, -0.0347669300000000, 0.0030566300000000 ] - [ 0.0154627200000000, -0.0342610800000000, 0.0031782000000000 ] - [ -0.0149214500000000, -0.0342622400000000, -0.0028748300000000 ] - [ -0.0152727500000000, -0.0341312100000000, -0.0030318800000000 ] - [ -0.0294034300000000, -0.0312059800000000, 0.0344134600000000 ] - [ -0.0292252700000000, -0.0309254500000000, 0.0345884600000000 ] - [ 0.0293432500000000, -0.0309085900000000, -0.0342916300000000 ] - [ 0.0285877000000000, -0.0305079400000000, -0.0331296300000000 ] - [ 0.0285877000000000, 0.0305079400000000, -0.0331296300000000 ] - [ 0.0293432500000000, 0.0309085900000000, -0.0342916300000000 ] - [ -0.0292252700000000, 0.0309254500000000, 0.0345884600000000 ] - [ -0.0294034300000000, 0.0312059800000000, 0.0344134600000000 ] - [ -0.0006270500000000, 0.0101121200000000, 0.0120449000000000 ] - [ -0.0008778700000000, 0.0101230500000000, 0.0120538300000000 ] - [ 0.0009609200000000, 0.0102394100000000, -0.0119025900000000 ] - [ 0.0097173100000000, 0.0105953400000000, -0.0103238600000000 ] - [ 0.0097173100000000, -0.0105953400000000, -0.0103238600000000 ] - [ 0.0009609200000000, -0.0102394100000000, -0.0119025900000000 ] - [ -0.0008778700000000, -0.0101230500000000, 0.0120538300000000 ] - [ -0.0006270500000000, -0.0101121200000000, 0.0120449000000000 ] - [ 0.0412732700000000, 0.0525687900000000, -0.0066214800000000 ] - [ 0.0413291900000000, 0.0524185300000000, -0.0066328300000000 ] - [ -0.0412347700000000, 0.0526003800000000, 0.0066892500000000 ] - [ -0.0415551000000000, 0.0523641300000000, 0.0068080200000000 ] - [ -0.0415551000000000, -0.0523641300000000, 0.0068080200000000 ] - [ -0.0412347700000000, -0.0526003800000000, 0.0066892500000000 ] - [ 0.0413291900000000, -0.0524185300000000, -0.0066328300000000 ] - [ 0.0412732700000000, -0.0525687900000000, -0.0066214800000000 ] - [ -0.0290637600000000, -0.0106220100000000, 0.0072019300000000 ] - [ -0.0292343100000000, -0.0107221700000000, 0.0071306200000000 ] - [ 0.0291094500000000, -0.0108111500000000, -0.0071195800000000 ] - [ 0.0292817100000000, -0.0109043800000000, -0.0067728000000000 ] - [ 0.0292817100000000, 0.0109043800000000, -0.0067728000000000 ] - [ 0.0291094500000000, 0.0108111500000000, -0.0071195800000000 ] - [ -0.0292343100000000, 0.0107221700000000, 0.0071306200000000 ] - [ -0.0290637600000000, 0.0106220100000000, 0.0072019300000000 ] - [ 0.0114959000000000, 0.0000000000000000, -0.0108321700000000 ] - [ 0.0116562400000000, 0.0000000000000000, -0.0108206700000000 ] - [ -0.0091763500000000, 0.0000000000000000, 0.0132214300000000 ] - [ -0.0117490700000000, 0.0000000000000000, 0.0106747500000000 ] - [ 0.0045654600000000, 0.0001343800000000, -0.0171415400000000 ] - [ 0.0045654600000000, -0.0001343800000000, -0.0171415400000000 ] - [ -0.0044559100000000, -0.0000498800000000, 0.0169743800000000 ] - [ -0.0044559100000000, 0.0000498800000000, 0.0169743800000000 ] - [ 0.0194883600000000, 0.0000000000000000, -0.0010513600000000 ] - [ 0.0179494400000000, 0.0000000000000000, -0.0035083100000000 ] - [ -0.0175673700000000, 0.0000000000000000, 0.0039264800000000 ] - [ -0.0179874400000000, 0.0000000000000000, 0.0034917700000000 ] - [ 0.0143049800000000, 0.0000000000000000, 0.0151312800000000 ] - [ 0.0141460900000000, 0.0000000000000000, 0.0151869000000000 ] - [ -0.0138870500000000, 0.0000000000000000, -0.0148841000000000 ] - [ -0.0139076300000000, 0.0000000000000000, -0.0152434200000000 ] - [ -0.0152187200000000, 0.0335314300000000, -0.0051957600000000 ] - [ -0.0154028600000000, 0.0340111900000000, -0.0034627900000000 ] - [ 0.0152087700000000, 0.0342743700000000, 0.0028030400000000 ] - [ 0.0153247700000000, 0.0342073900000000, 0.0029933100000000 ] - [ 0.0153247700000000, -0.0342073900000000, 0.0029933100000000 ] - [ 0.0152087700000000, -0.0342743700000000, 0.0028030400000000 ] - [ -0.0154028600000000, -0.0340111900000000, -0.0034627900000000 ] - [ -0.0152187200000000, -0.0335314300000000, -0.0051957600000000 ] - [ -0.0294062900000000, -0.0310248100000000, 0.0345237300000000 ] - [ -0.0294261400000000, -0.0311321700000000, 0.0343921300000000 ] - [ 0.0293133100000000, -0.0310217400000000, -0.0345811300000000 ] - [ 0.0294384000000000, -0.0310106800000000, -0.0344246200000000 ] - [ 0.0294384000000000, 0.0310106800000000, -0.0344246200000000 ] - [ 0.0293133100000000, 0.0310217400000000, -0.0345811300000000 ] - [ -0.0294261400000000, 0.0311321700000000, 0.0343921300000000 ] - [ -0.0294062900000000, 0.0310248100000000, 0.0345237300000000 ] - [ -0.0005098100000000, 0.0097993200000000, 0.0126274400000000 ] - [ -0.0006351100000000, 0.0108479500000000, 0.0117792500000000 ] - [ 0.0005312600000000, 0.0097527400000000, -0.0125883200000000 ] - [ 0.0003933700000000, 0.0102486100000000, -0.0118431700000000 ] - [ 0.0003933700000000, -0.0102486100000000, -0.0118431700000000 ] - [ 0.0005312600000000, -0.0097527400000000, -0.0125883200000000 ] - [ -0.0006351100000000, -0.0108479500000000, 0.0117792500000000 ] - [ -0.0005098100000000, -0.0097993200000000, 0.0126274400000000 ] - [ -0.0112965800000000, 0.0000000000000000, 0.0167554500000000 ] - [ -0.0115350800000000, 0.0000000000000000, 0.0166908800000000 ] - [ 0.0114177800000000, 0.0000000000000000, -0.0159992800000000 ] - [ 0.0114871800000000, 0.0000000000000000, -0.0166235300000000 ] - [ -0.0395649900000000, -0.0010190200000000, 0.0131468900000000 ] - [ -0.0395649900000000, 0.0010190200000000, 0.0131468900000000 ] - [ 0.0377399300000000, 0.0000562200000000, -0.0130724800000000 ] - [ 0.0377399300000000, -0.0000562200000000, -0.0130724800000000 ] - [ -0.0200216400000000, 0.0000000000000000, 0.0121364000000000 ] - [ -0.0198635500000000, 0.0000000000000000, 0.0120372100000000 ] - [ 0.0244816800000000, 0.0000000000000000, -0.0119772800000000 ] - [ 0.0199279200000000, 0.0000000000000000, -0.0119580500000000 ] - [ -0.0071473600000000, 0.0000000000000000, 0.0305193400000000 ] - [ -0.0161651200000000, 0.0000000000000000, 0.0201562500000000 ] - [ 0.0162010100000000, 0.0000000000000000, -0.0202120900000000 ] - [ 0.0162050200000000, 0.0000000000000000, -0.0201677500000000 ] - [ -0.0115306500000000, -0.0001513700000000, 0.0167113300000000 ] - [ -0.0115306500000000, 0.0001513700000000, 0.0167113300000000 ] - [ 0.0115245900000000, -0.0000330000000000, -0.0167225600000000 ] - [ 0.0115245900000000, 0.0000330000000000, -0.0167225600000000 ] - [ -0.0373473700000000, 0.0000000000000000, 0.0128856400000000 ] - [ -0.0377108500000000, 0.0000000000000000, 0.0130114600000000 ] - [ 0.0380423700000000, 0.0000000000000000, -0.0132815700000000 ] - [ 0.0377709700000000, 0.0000000000000000, -0.0129954400000000 ] - [ -0.0199036900000000, -0.0000770900000000, 0.0119440800000000 ] - [ -0.0199036900000000, 0.0000770900000000, 0.0119440800000000 ] - [ 0.0199291000000000, 0.0000016400000000, -0.0120178500000000 ] - [ 0.0199291000000000, -0.0000016400000000, -0.0120178500000000 ] - [ -0.0162161500000000, -0.0000309400000000, 0.0203228800000000 ] - [ -0.0162161500000000, 0.0000309400000000, 0.0203228800000000 ] - [ 0.0162233200000000, -0.0000144700000000, -0.0201818200000000 ] - [ 0.0162233200000000, 0.0000144700000000, -0.0201818200000000 ]- atom: 21 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0412208500000000, 0.0525457700000000, -0.0066078500000000 ] - [ 0.0412857000000000, 0.0525955100000000, -0.0066660800000000 ] - [ -0.0434469600000000, 0.0495608500000000, 0.0107188200000000 ] - [ -0.0411891700000000, 0.0524755500000000, 0.0069016100000000 ] - [ -0.0411891700000000, -0.0524755500000000, 0.0069016100000000 ] - [ -0.0434469600000000, -0.0495608500000000, 0.0107188200000000 ] - [ 0.0412857000000000, -0.0525955100000000, -0.0066660800000000 ] - [ 0.0412208500000000, -0.0525457700000000, -0.0066078500000000 ] - [ -0.0293463600000000, -0.0107730200000000, 0.0072314700000000 ] - [ -0.0292668000000000, -0.0108665200000000, 0.0071220900000000 ] - [ -0.0082333100000000, -0.0418780200000000, -0.0009061300000000 ] - [ 0.0287397600000000, -0.0109915000000000, -0.0063421800000000 ] - [ 0.0287397600000000, 0.0109915000000000, -0.0063421800000000 ] - [ -0.0082333100000000, 0.0418780200000000, -0.0009061300000000 ] - [ -0.0292668000000000, 0.0108665200000000, 0.0071220900000000 ] - [ -0.0293463600000000, 0.0107730200000000, 0.0072314700000000 ] - [ 0.0116659000000000, -0.0000131100000000, -0.0107875400000000 ] - [ 0.0116659000000000, 0.0000131100000000, -0.0107875400000000 ] - [ -0.0118995800000000, 0.0003887100000000, 0.0106948600000000 ] - [ -0.0118995800000000, -0.0003887100000000, 0.0106948600000000 ] - [ 0.1161200400000000, 0.0000000000000000, -0.0189826700000000 ] - [ 0.0056244600000000, 0.0000000000000000, -0.0175350100000000 ] - [ -0.0045659200000000, 0.0000000000000000, 0.0169269800000000 ] - [ -0.0043161200000000, 0.0000000000000000, 0.0170309000000000 ] - [ 0.0178728900000000, -0.0000156000000000, -0.0036303000000000 ] - [ 0.0178728900000000, 0.0000156000000000, -0.0036303000000000 ] - [ -0.0177415600000000, -0.0000113500000000, 0.0025828600000000 ] - [ -0.0177415600000000, 0.0000113500000000, 0.0025828600000000 ] - [ 0.0138599000000000, -0.0003332100000000, 0.0158045500000000 ] - [ 0.0138599000000000, 0.0003332100000000, 0.0158045500000000 ] - [ -0.0137431600000000, -0.0003031800000000, -0.0150624300000000 ] - [ -0.0137431600000000, 0.0003031800000000, -0.0150624300000000 ] - [ -0.0155270100000000, 0.0343496700000000, -0.0030938000000000 ] - [ -0.0158767200000000, 0.0342214700000000, -0.0032502600000000 ] - [ 0.0153359400000000, 0.0342184800000000, 0.0029462200000000 ] - [ 0.0156476000000000, 0.0337110100000000, 0.0030537200000000 ] - [ 0.0156476000000000, -0.0337110100000000, 0.0030537200000000 ] - [ 0.0153359400000000, -0.0342184800000000, 0.0029462200000000 ] - [ -0.0158767200000000, -0.0342214700000000, -0.0032502600000000 ] - [ -0.0155270100000000, -0.0343496700000000, -0.0030938000000000 ] - [ -0.0295468700000000, -0.0309180900000000, 0.0344650800000000 ] - [ -0.0297262700000000, -0.0311957700000000, 0.0342905100000000 ] - [ 0.0296070800000000, -0.0312120800000000, -0.0345852600000000 ] - [ 0.0303739700000000, -0.0316164800000000, -0.0357425900000000 ] - [ 0.0303739700000000, 0.0316164800000000, -0.0357425900000000 ] - [ 0.0296070800000000, 0.0312120800000000, -0.0345852600000000 ] - [ -0.0297262700000000, 0.0311957700000000, 0.0342905100000000 ] - [ -0.0295468700000000, 0.0309180900000000, 0.0344650800000000 ] - [ -0.0006328800000000, 0.0100898600000000, 0.0120718700000000 ] - [ -0.0003794600000000, 0.0100807200000000, 0.0120622900000000 ] - [ 0.0003002700000000, 0.0099635500000000, -0.0122146500000000 ] - [ -0.0083070000000000, 0.0095654100000000, -0.0137707700000000 ] - [ -0.0083070000000000, -0.0095654100000000, -0.0137707700000000 ] - [ 0.0003002700000000, -0.0099635500000000, -0.0122146500000000 ] - [ -0.0003794600000000, -0.0100807200000000, 0.0120622900000000 ] - [ -0.0006328800000000, -0.0100898600000000, 0.0120718700000000 ] - [ 0.0412281700000000, 0.0525605500000000, -0.0066764400000000 ] - [ 0.0411716100000000, 0.0527104600000000, -0.0066633400000000 ] - [ -0.0412667400000000, 0.0525289500000000, 0.0066075200000000 ] - [ -0.0409449800000000, 0.0527658000000000, 0.0064857300000000 ] - [ -0.0409449800000000, -0.0527658000000000, 0.0064857300000000 ] - [ -0.0412667400000000, -0.0525289500000000, 0.0066075200000000 ] - [ 0.0411716100000000, -0.0527104600000000, -0.0066633400000000 ] - [ 0.0412281700000000, -0.0525605500000000, -0.0066764400000000 ] - [ -0.0294398700000000, -0.0110197500000000, 0.0070514600000000 ] - [ -0.0292686800000000, -0.0109210400000000, 0.0071220100000000 ] - [ 0.0294016000000000, -0.0108287500000000, -0.0071350500000000 ] - [ 0.0292152700000000, -0.0107297900000000, -0.0074861500000000 ] - [ 0.0292152700000000, 0.0107297900000000, -0.0074861500000000 ] - [ 0.0294016000000000, 0.0108287500000000, -0.0071350500000000 ] - [ -0.0292686800000000, 0.0109210400000000, 0.0071220100000000 ] - [ -0.0294398700000000, 0.0110197500000000, 0.0070514600000000 ] - [ 0.0119437200000000, 0.0000000000000000, -0.0106505400000000 ] - [ 0.0117835100000000, 0.0000000000000000, -0.0106598500000000 ] - [ -0.0142927000000000, 0.0000000000000000, 0.0082394200000000 ] - [ -0.0116880700000000, 0.0000000000000000, 0.0108064000000000 ] - [ 0.0042601700000000, -0.0001403400000000, -0.0169387600000000 ] - [ 0.0042601700000000, 0.0001403400000000, -0.0169387600000000 ] - [ -0.0043725800000000, 0.0000495400000000, 0.0171085800000000 ] - [ -0.0043725800000000, -0.0000495400000000, 0.0171085800000000 ] - [ 0.0163583100000000, 0.0000000000000000, -0.0060666400000000 ] - [ 0.0178990400000000, 0.0000000000000000, -0.0036008800000000 ] - [ -0.0182705600000000, 0.0000000000000000, 0.0031953300000000 ] - [ -0.0178592300000000, 0.0000000000000000, 0.0036193700000000 ] - [ 0.0135390400000000, 0.0000000000000000, 0.0151700800000000 ] - [ 0.0136971400000000, 0.0000000000000000, 0.0151126900000000 ] - [ -0.0139566500000000, 0.0000000000000000, -0.0154157400000000 ] - [ -0.0139384800000000, 0.0000000000000000, -0.0150557300000000 ] - [ -0.0155789700000000, 0.0349591300000000, -0.0009339500000000 ] - [ -0.0153956100000000, 0.0344688800000000, -0.0026647800000000 ] - [ 0.0155935700000000, 0.0342024600000000, 0.0033267200000000 ] - [ 0.0154746700000000, 0.0342730400000000, 0.0031304100000000 ] - [ 0.0154746700000000, -0.0342730400000000, 0.0031304100000000 ] - [ 0.0155935700000000, -0.0342024600000000, 0.0033267200000000 ] - [ -0.0153956100000000, -0.0344688800000000, -0.0026647800000000 ] - [ -0.0155789700000000, -0.0349591300000000, -0.0009339500000000 ] - [ -0.0295422800000000, -0.0310945700000000, 0.0343533000000000 ] - [ -0.0295236300000000, -0.0309872700000000, 0.0344851800000000 ] - [ 0.0296333600000000, -0.0311003600000000, -0.0342972900000000 ] - [ 0.0295105100000000, -0.0311089100000000, -0.0344529700000000 ] - [ 0.0295105100000000, 0.0311089100000000, -0.0344529700000000 ] - [ 0.0296333600000000, 0.0311003600000000, -0.0342972900000000 ] - [ -0.0295236300000000, 0.0309872700000000, 0.0344851800000000 ] - [ -0.0295422800000000, 0.0310945700000000, 0.0343533000000000 ] - [ -0.0007474600000000, 0.0103978500000000, 0.0114852900000000 ] - [ -0.0006222100000000, 0.0093524100000000, 0.0123352300000000 ] - [ 0.0007361500000000, 0.0104393800000000, -0.0115195300000000 ] - [ 0.0008692200000000, 0.0099410900000000, -0.0122748000000000 ] - [ 0.0008692200000000, -0.0099410900000000, -0.0122748000000000 ] - [ 0.0007361500000000, -0.0104393800000000, -0.0115195300000000 ] - [ -0.0006222100000000, -0.0093524100000000, 0.0123352300000000 ] - [ -0.0007474600000000, -0.0103978500000000, 0.0114852900000000 ] - [ -0.0117821100000000, 0.0000000000000000, 0.0166331700000000 ] - [ -0.0115447000000000, 0.0000000000000000, 0.0166979600000000 ] - [ 0.0116568400000000, 0.0000000000000000, -0.0173893500000000 ] - [ 0.0115907300000000, 0.0000000000000000, -0.0167644600000000 ] - [ -0.0359628000000000, 0.0010309900000000, 0.0129803600000000 ] - [ -0.0359628000000000, -0.0010309900000000, 0.0129803600000000 ] - [ 0.0377698500000000, -0.0000568000000000, -0.0130521700000000 ] - [ 0.0377698500000000, 0.0000568000000000, -0.0130521700000000 ] - [ -0.0198097100000000, 0.0000000000000000, 0.0118853900000000 ] - [ -0.0199652400000000, 0.0000000000000000, 0.0119837900000000 ] - [ 0.0153539200000000, 0.0000000000000000, -0.0121420500000000 ] - [ 0.0198998700000000, 0.0000000000000000, -0.0120635600000000 ] - [ -0.0253260500000000, 0.0000000000000000, 0.0096118300000000 ] - [ -0.0162596200000000, 0.0000000000000000, 0.0202515200000000 ] - [ 0.0162236600000000, 0.0000000000000000, -0.0201951400000000 ] - [ 0.0162213000000000, 0.0000000000000000, -0.0202420300000000 ] - [ -0.0115462100000000, 0.0001564200000000, 0.0166753200000000 ] - [ -0.0115462100000000, -0.0001564200000000, 0.0166753200000000 ] - [ 0.0115535700000000, 0.0000333000000000, -0.0166662900000000 ] - [ 0.0115535700000000, -0.0000333000000000, -0.0166662900000000 ] - [ -0.0381720900000000, 0.0000000000000000, 0.0132398800000000 ] - [ -0.0378020200000000, 0.0000000000000000, 0.0131135500000000 ] - [ 0.0374650900000000, 0.0000000000000000, -0.0128422400000000 ] - [ 0.0377404300000000, 0.0000000000000000, -0.0131299300000000 ] - [ -0.0199248200000000, 0.0000760400000000, 0.0120780400000000 ] - [ -0.0199248200000000, -0.0000760400000000, 0.0120780400000000 ] - [ 0.0198993100000000, -0.0000009700000000, -0.0120025600000000 ] - [ 0.0198993100000000, 0.0000009700000000, -0.0120025600000000 ] - [ -0.0162113400000000, 0.0000296800000000, 0.0200863800000000 ] - [ -0.0162113400000000, -0.0000296800000000, 0.0200863800000000 ] - [ 0.0162005000000000, 0.0000143600000000, -0.0202247700000000 ] - [ 0.0162005000000000, -0.0000143600000000, -0.0202247700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0412946600000000, 0.0526349700000000, -0.0064923700000000 ] - [ 0.0412700500000000, 0.0525574900000000, -0.0066514300000000 ] - [ -0.0407471600000000, 0.0540038400000000, 0.0021275500000000 ] - [ -0.0413011900000000, 0.0526376500000000, 0.0066673200000000 ] - [ -0.0411919900000000, -0.0524947100000000, 0.0066275400000000 ] - [ -0.0417405400000000, -0.0512077100000000, 0.0111902200000000 ] - [ 0.0412319200000000, -0.0525707500000000, -0.0066448800000000 ] - [ 0.0412054600000000, -0.0524898700000000, -0.0068055100000000 ] - [ -0.0292510000000000, -0.0107342300000000, 0.0072242800000000 ] - [ -0.0291969100000000, -0.0108819800000000, 0.0071731100000000 ] - [ 0.0680095500000000, 0.0422596000000000, -0.0126165400000000 ] - [ 0.0294130300000000, -0.0101669400000000, -0.0071363400000000 ] - [ 0.0291087500000000, 0.0114735200000000, -0.0071195700000000 ] - [ -0.0076452000000000, 0.0621808500000000, -0.0020469600000000 ] - [ -0.0293030800000000, 0.0107577500000000, 0.0070793500000000 ] - [ -0.0292495100000000, 0.0109054800000000, 0.0070285400000000 ] - [ 0.0116912700000000, -0.0000146200000000, -0.0107797200000000 ] - [ 0.0117385100000000, -0.0000150000000000, -0.0107067400000000 ] - [ -0.0118860700000000, -0.0007377400000000, 0.0106561800000000 ] - [ -0.0115432300000000, -0.0007386200000000, 0.0108021700000000 ] - [ 0.0025268100000000, -0.1282018200000000, -0.0166084100000000 ] - [ 0.0044077900000000, -0.0005548100000000, -0.0170449100000000 ] - [ -0.0044139500000000, -0.0001231600000000, 0.0170459300000000 ] - [ -0.0044137900000000, -0.0000210600000000, 0.0170436400000000 ] - [ 0.0178495700000000, 0.0000406400000000, -0.0036084100000000 ] - [ 0.0179955800000000, 0.0000387900000000, -0.0034985100000000 ] - [ -0.0176543200000000, -0.0006098500000000, 0.0031045000000000 ] - [ -0.0181896100000000, -0.0006097100000000, 0.0040072700000000 ] - [ 0.0139092300000000, 0.0003721800000000, 0.0153146300000000 ] - [ 0.0139363000000000, 0.0003628900000000, 0.0149756100000000 ] - [ -0.0139390900000000, -0.0000152800000000, -0.0155766000000000 ] - [ -0.0139057100000000, -0.0000184900000000, -0.0147262000000000 ] - [ -0.0153467500000000, 0.0342262500000000, -0.0030618800000000 ] - [ -0.0150941500000000, 0.0344110600000000, -0.0028859900000000 ] - [ 0.0154812100000000, 0.0343410500000000, 0.0030624000000000 ] - [ 0.0149118600000000, 0.0340919300000000, 0.0033003800000000 ] - [ 0.0158895900000000, -0.0343909400000000, 0.0028231200000000 ] - [ 0.0153129500000000, -0.0341399600000000, 0.0030625100000000 ] - [ -0.0157047900000000, -0.0340702600000000, -0.0032422600000000 ] - [ -0.0154507500000000, -0.0342537400000000, -0.0030632200000000 ] - [ -0.0293780700000000, -0.0313062900000000, 0.0343450100000000 ] - [ -0.0303331900000000, -0.0302670000000000, 0.0333679100000000 ] - [ 0.0294208600000000, -0.0312461100000000, -0.0341214100000000 ] - [ 0.0298128500000000, -0.0308870200000000, -0.0302811900000000 ] - [ 0.0291579700000000, 0.0312339800000000, -0.0385977000000000 ] - [ 0.0295231000000000, 0.0308740600000000, -0.0347502700000000 ] - [ -0.0286148500000000, 0.0318480300000000, 0.0355190000000000 ] - [ -0.0295672300000000, 0.0308112500000000, 0.0345276500000000 ] - [ -0.0006141200000000, 0.0101619900000000, 0.0120470300000000 ] - [ -0.0005825500000000, 0.0100031600000000, 0.0120210400000000 ] - [ 0.0005885700000000, 0.0101702600000000, -0.0120386900000000 ] - [ -0.0029847300000000, 0.0104348800000000, -0.0140195500000000 ] - [ 0.0042154400000000, -0.0097129900000000, -0.0100989700000000 ] - [ 0.0006710500000000, -0.0100293100000000, -0.0120817300000000 ] - [ -0.0006768600000000, -0.0102001400000000, 0.0120929600000000 ] - [ -0.0006458100000000, -0.0100394200000000, 0.0120683900000000 ] - [ 0.0413267800000000, 0.0522626200000000, -0.0066013800000000 ] - [ 0.0413016200000000, 0.0526508300000000, -0.0066119800000000 ] - [ -0.0412607300000000, 0.0525837200000000, 0.0066710300000000 ] - [ -0.0412655200000000, 0.0526155400000000, 0.0065124600000000 ] - [ -0.0412418300000000, -0.0525073800000000, 0.0067834500000000 ] - [ -0.0412418500000000, -0.0525458200000000, 0.0066250800000000 ] - [ 0.0411997400000000, -0.0524688300000000, -0.0066843200000000 ] - [ 0.0411740300000000, -0.0528661600000000, -0.0066956100000000 ] - [ -0.0293807700000000, -0.0108227800000000, 0.0067717000000000 ] - [ -0.0291205400000000, -0.0106544200000000, 0.0071612700000000 ] - [ 0.0292875300000000, -0.0107948200000000, -0.0071551300000000 ] - [ 0.0292302000000000, -0.0108193900000000, -0.0069113400000000 ] - [ 0.0292666800000000, 0.0108187100000000, -0.0073408700000000 ] - [ 0.0292122400000000, 0.0108412100000000, -0.0071001800000000 ] - [ -0.0293776200000000, 0.0109844200000000, 0.0070919800000000 ] - [ -0.0291193400000000, 0.0108144900000000, 0.0074809800000000 ] - [ 0.0117118800000000, 0.0001536200000000, -0.0107385500000000 ] - [ 0.0117161900000000, 0.0000597700000000, -0.0107387600000000 ] - [ -0.0117124900000000, -0.0001681000000000, 0.0107574300000000 ] - [ -0.0117159800000000, -0.0000103900000000, 0.0107422400000000 ] - [ 0.0042750900000000, 0.0000801300000000, -0.0169921500000000 ] - [ 0.0045502300000000, 0.0000823200000000, -0.0170980000000000 ] - [ -0.0044638900000000, 0.0000250600000000, 0.0173681300000000 ] - [ -0.0043627900000000, 0.0000249500000000, 0.0167206200000000 ] - [ 0.0179251800000000, -0.0005492600000000, -0.0035635800000000 ] - [ 0.0179234600000000, 0.0001033400000000, -0.0035519400000000 ] - [ -0.0179214200000000, -0.0000838300000000, 0.0035575500000000 ] - [ -0.0179235000000000, -0.0000795500000000, 0.0035528200000000 ] - [ 0.0139273100000000, 0.0000422000000000, 0.0151494400000000 ] - [ 0.0139214200000000, 0.0000128400000000, 0.0151500200000000 ] - [ -0.0139208600000000, 0.0000401000000000, -0.0151488400000000 ] - [ -0.0139244700000000, 0.0001154700000000, -0.0151524500000000 ] - [ -0.0158928400000000, 0.0349109000000000, 0.0009780400000000 ] - [ -0.0154790500000000, 0.0345034800000000, -0.0032264000000000 ] - [ 0.0155940600000000, 0.0342000100000000, 0.0030989800000000 ] - [ 0.0153658900000000, 0.0341742900000000, 0.0030720000000000 ] - [ 0.0154298000000000, -0.0343070200000000, 0.0030532200000000 ] - [ 0.0152049900000000, -0.0342853900000000, 0.0030280900000000 ] - [ -0.0153142100000000, -0.0339750700000000, -0.0028996800000000 ] - [ -0.0149164100000000, -0.0335719500000000, -0.0071054100000000 ] - [ -0.0294351600000000, -0.0311083300000000, 0.0344887600000000 ] - [ -0.0294549700000000, -0.0310166800000000, 0.0344398700000000 ] - [ 0.0294841300000000, -0.0310720800000000, -0.0344166300000000 ] - [ 0.0294325900000000, -0.0310564500000000, -0.0344332500000000 ] - [ 0.0295134000000000, 0.0310601600000000, -0.0344390100000000 ] - [ 0.0294582200000000, 0.0310432000000000, -0.0344585000000000 ] - [ -0.0294916700000000, 0.0310987800000000, 0.0344331500000000 ] - [ -0.0295093900000000, 0.0310051700000000, 0.0343853300000000 ] - [ -0.0009210000000000, 0.0109014500000000, 0.0116055900000000 ] - [ -0.0007517500000000, 0.0106268900000000, 0.0118393300000000 ] - [ 0.0002858800000000, 0.0106501500000000, -0.0118538300000000 ] - [ 0.0007372200000000, 0.0102631200000000, -0.0121156200000000 ] - [ 0.0005209800000000, -0.0099372500000000, -0.0120011900000000 ] - [ 0.0009623800000000, -0.0095556500000000, -0.0122615800000000 ] - [ -0.0005059500000000, -0.0095757800000000, 0.0122779900000000 ] - [ -0.0003401200000000, -0.0092985300000000, 0.0125088200000000 ] - [ -0.0115366300000000, -0.0000956700000000, 0.0166936600000000 ] - [ -0.0115424300000000, 0.0000119600000000, 0.0166948900000000 ] - [ 0.0115408200000000, 0.0002220200000000, -0.0166889700000000 ] - [ 0.0115384300000000, -0.0001134300000000, -0.0166936900000000 ] - [ -0.0380732600000000, 0.0021652100000000, 0.0131923000000000 ] - [ -0.0374545000000000, 0.0021351100000000, 0.0129408400000000 ] - [ 0.0378548900000000, 0.0000206400000000, -0.0130874900000000 ] - [ 0.0376494100000000, 0.0000205400000000, -0.0130404000000000 ] - [ -0.0199166300000000, -0.0000143100000000, 0.0120113200000000 ] - [ -0.0199158100000000, -0.0000153800000000, 0.0120112300000000 ] - [ 0.0199484100000000, 0.0047049100000000, -0.0120251500000000 ] - [ 0.0199156500000000, 0.0001117300000000, -0.0120109500000000 ] - [ -0.0161941200000000, 0.0049316100000000, 0.0201900900000000 ] - [ -0.0162098200000000, -0.0000172000000000, 0.0201991200000000 ] - [ 0.0162092200000000, -0.0000581100000000, -0.0201998500000000 ] - [ 0.0162099600000000, 0.0000732700000000, -0.0201985900000000 ] - [ -0.0114482500000000, 0.0000206900000000, 0.0165481100000000 ] - [ -0.0116234600000000, 0.0000169600000000, 0.0168404900000000 ] - [ 0.0115557700000000, 0.0000063600000000, -0.0167119600000000 ] - [ 0.0115196000000000, 0.0000054900000000, -0.0166776300000000 ] - [ -0.0377552500000000, -0.0000019700000000, 0.0130636900000000 ] - [ -0.0377530000000000, -0.0000057900000000, 0.0130639400000000 ] - [ 0.0377500300000000, -0.0000324900000000, -0.0130648500000000 ] - [ 0.0377530500000000, -0.0000274000000000, -0.0130646500000000 ] - [ -0.0199436400000000, 0.0001282700000000, 0.0121645600000000 ] - [ -0.0198864200000000, 0.0001279800000000, 0.0118594300000000 ] - [ 0.0199152400000000, 0.0000008600000000, -0.0120200700000000 ] - [ 0.0199181700000000, 0.0000005300000000, -0.0120012000000000 ] - [ -0.0161718800000000, -0.0000447400000000, 0.0202315900000000 ] - [ -0.0162529900000000, -0.0000453400000000, 0.0201708800000000 ] - [ 0.0162128500000000, 0.0000329000000000, -0.0202165300000000 ] - [ 0.0162058900000000, 0.0000327300000000, -0.0201826900000000 ]- atom: 21 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0412211000000000, 0.0525772900000000, -0.0068331700000000 ] - [ 0.0412458100000000, 0.0526458200000000, -0.0067143800000000 ] - [ -0.0453924300000000, 0.0465596000000000, 0.0064258700000000 ] - [ -0.0414562000000000, 0.0520789100000000, 0.0066749500000000 ] - [ -0.0414562000000000, -0.0520789100000000, 0.0066749500000000 ] - [ -0.0453924300000000, -0.0465596000000000, 0.0064258700000000 ] - [ 0.0412458100000000, -0.0526458200000000, -0.0067143800000000 ] - [ 0.0412211000000000, -0.0525772900000000, -0.0068331700000000 ] - [ -0.0293813000000000, -0.0108536000000000, 0.0071991200000000 ] - [ -0.0292461900000000, -0.0108679100000000, 0.0071720900000000 ] - [ 0.0125060800000000, -0.0257756000000000, 0.0058716500000000 ] - [ 0.0288082000000000, -0.0108864500000000, -0.0066574400000000 ] - [ 0.0288082000000000, 0.0108864500000000, -0.0066574400000000 ] - [ 0.0125060800000000, 0.0257756000000000, 0.0058716500000000 ] - [ -0.0292461900000000, 0.0108679100000000, 0.0071720900000000 ] - [ -0.0293813000000000, 0.0108536000000000, 0.0071991200000000 ] - [ 0.0116744400000000, -0.0000111700000000, -0.0107031000000000 ] - [ 0.0116744400000000, 0.0000111700000000, -0.0107031000000000 ] - [ -0.0108478400000000, 0.0003273900000000, 0.0131473800000000 ] - [ -0.0108478400000000, -0.0003273900000000, 0.0131473800000000 ] - [ 0.0408583100000000, 0.0000000000000000, -0.1142524100000000 ] - [ 0.0052532200000000, 0.0000000000000000, -0.0175457700000000 ] - [ -0.0043494500000000, 0.0000000000000000, 0.0172057200000000 ] - [ -0.0043754300000000, 0.0000000000000000, 0.0171148600000000 ] - [ 0.0181783700000000, -0.0000118400000000, -0.0032623300000000 ] - [ 0.0181783700000000, 0.0000118400000000, -0.0032623300000000 ] - [ -0.0173882100000000, -0.0000350400000000, 0.0027418500000000 ] - [ -0.0173882100000000, 0.0000350400000000, 0.0027418500000000 ] - [ 0.0143087700000000, -0.0001448400000000, 0.0153421700000000 ] - [ 0.0143087700000000, 0.0001448400000000, 0.0153421700000000 ] - [ -0.0141930700000000, -0.0001527600000000, -0.0148179000000000 ] - [ -0.0141930700000000, 0.0001527600000000, -0.0148179000000000 ] - [ -0.0153825200000000, 0.0342710200000000, -0.0030383400000000 ] - [ -0.0155787400000000, 0.0346373800000000, -0.0024317100000000 ] - [ 0.0153041200000000, 0.0341813600000000, 0.0029583700000000 ] - [ 0.0153475900000000, 0.0339569500000000, 0.0022403100000000 ] - [ 0.0153475900000000, -0.0339569500000000, 0.0022403100000000 ] - [ 0.0153041200000000, -0.0341813600000000, 0.0029583700000000 ] - [ -0.0155787400000000, -0.0346373800000000, -0.0024317100000000 ] - [ -0.0153825200000000, -0.0342710200000000, -0.0030383400000000 ] - [ -0.0295673600000000, -0.0307733100000000, 0.0347133200000000 ] - [ -0.0300205000000000, -0.0300752300000000, 0.0338989600000000 ] - [ 0.0292491000000000, -0.0309395400000000, -0.0344617600000000 ] - [ 0.0299585400000000, -0.0286998800000000, -0.0289409600000000 ] - [ 0.0299585400000000, 0.0286998800000000, -0.0289409600000000 ] - [ 0.0292491000000000, 0.0309395400000000, -0.0344617600000000 ] - [ -0.0300205000000000, 0.0300752300000000, 0.0338989600000000 ] - [ -0.0295673600000000, 0.0307733100000000, 0.0347133200000000 ] - [ -0.0006111000000000, 0.0100654200000000, 0.0121087200000000 ] - [ -0.0004794300000000, 0.0101977500000000, 0.0120417100000000 ] - [ 0.0005268800000000, 0.0101130400000000, -0.0120713800000000 ] - [ -0.0006607600000000, 0.0077251600000000, -0.0129917700000000 ] - [ -0.0006607600000000, -0.0077251600000000, -0.0129917700000000 ] - [ 0.0005268800000000, -0.0101130400000000, -0.0120713800000000 ] - [ -0.0004794300000000, -0.0101977500000000, 0.0120417100000000 ] - [ -0.0006111000000000, -0.0100654200000000, 0.0121087200000000 ] - [ 0.0413593700000000, 0.0528284500000000, -0.0062689600000000 ] - [ 0.0415367500000000, 0.0529811600000000, -0.0068209600000000 ] - [ -0.0411871400000000, 0.0525304400000000, 0.0066196100000000 ] - [ -0.0414581800000000, 0.0529549200000000, 0.0062270300000000 ] - [ -0.0414581800000000, -0.0529549200000000, 0.0062270300000000 ] - [ -0.0411871400000000, -0.0525304400000000, 0.0066196100000000 ] - [ 0.0415367500000000, -0.0529811600000000, -0.0068209600000000 ] - [ 0.0413593700000000, -0.0528284500000000, -0.0062689600000000 ] - [ -0.0292566300000000, -0.0112377700000000, 0.0071826400000000 ] - [ -0.0292918800000000, -0.0108096400000000, 0.0070505100000000 ] - [ 0.0293593700000000, -0.0107551300000000, -0.0071739800000000 ] - [ 0.0291570200000000, -0.0105053100000000, -0.0072885200000000 ] - [ 0.0291570200000000, 0.0105053100000000, -0.0072885200000000 ] - [ 0.0293593700000000, 0.0107551300000000, -0.0071739800000000 ] - [ -0.0292918800000000, 0.0108096400000000, 0.0070505100000000 ] - [ -0.0292566300000000, 0.0112377700000000, 0.0071826400000000 ] - [ 0.0116257300000000, 0.0000000000000000, -0.0104731500000000 ] - [ 0.0115673500000000, 0.0000000000000000, -0.0104208700000000 ] - [ -0.0104788400000000, 0.0000000000000000, 0.0119068100000000 ] - [ -0.0117479800000000, 0.0000000000000000, 0.0107265800000000 ] - [ 0.0042691900000000, -0.0000928400000000, -0.0169832800000000 ] - [ 0.0042691900000000, 0.0000928400000000, -0.0169832800000000 ] - [ -0.0044659600000000, 0.0003247500000000, 0.0171689100000000 ] - [ -0.0044659600000000, -0.0003247500000000, 0.0171689100000000 ] - [ 0.0212357900000000, 0.0000000000000000, 0.0002862600000000 ] - [ 0.0180350300000000, 0.0000000000000000, -0.0035820300000000 ] - [ -0.0178911700000000, 0.0000000000000000, 0.0034994900000000 ] - [ -0.0178777600000000, 0.0000000000000000, 0.0035577600000000 ] - [ 0.0137986400000000, 0.0000000000000000, 0.0150503500000000 ] - [ 0.0138070200000000, 0.0000000000000000, 0.0150998500000000 ] - [ -0.0140057300000000, 0.0000000000000000, -0.0151795900000000 ] - [ -0.0140195400000000, 0.0000000000000000, -0.0151415900000000 ] - [ -0.0164841300000000, 0.0368980000000000, 0.0006994400000000 ] - [ -0.0155820700000000, 0.0347231700000000, -0.0029946900000000 ] - [ 0.0151643600000000, 0.0336719200000000, 0.0026781800000000 ] - [ 0.0153689400000000, 0.0341512100000000, 0.0029851100000000 ] - [ 0.0153689400000000, -0.0341512100000000, 0.0029851100000000 ] - [ 0.0151643600000000, -0.0336719200000000, 0.0026781800000000 ] - [ -0.0155820700000000, -0.0347231700000000, -0.0029946900000000 ] - [ -0.0164841300000000, -0.0368980000000000, 0.0006994400000000 ] - [ -0.0294169800000000, -0.0309460700000000, 0.0346235800000000 ] - [ -0.0293876700000000, -0.0309259400000000, 0.0345879700000000 ] - [ 0.0293446400000000, -0.0309236100000000, -0.0343398300000000 ] - [ 0.0294808400000000, -0.0311073500000000, -0.0344426900000000 ] - [ 0.0294808400000000, 0.0311073500000000, -0.0344426900000000 ] - [ 0.0293446400000000, 0.0309236100000000, -0.0343398300000000 ] - [ -0.0293876700000000, 0.0309259400000000, 0.0345879700000000 ] - [ -0.0294169800000000, 0.0309460700000000, 0.0346235800000000 ] - [ -0.0006114300000000, 0.0105185100000000, 0.0122130100000000 ] - [ -0.0007421900000000, 0.0101197800000000, 0.0123094500000000 ] - [ 0.0005998000000000, 0.0102731600000000, -0.0119932300000000 ] - [ 0.0007778800000000, 0.0098514500000000, -0.0121743900000000 ] - [ 0.0007778800000000, -0.0098514500000000, -0.0121743900000000 ] - [ 0.0005998000000000, -0.0102731600000000, -0.0119932300000000 ] - [ -0.0007421900000000, -0.0101197800000000, 0.0123094500000000 ] - [ -0.0006114300000000, -0.0105185100000000, 0.0122130100000000 ] - [ -0.0114042100000000, 0.0000000000000000, 0.0168152200000000 ] - [ -0.0115382900000000, 0.0000000000000000, 0.0167123000000000 ] - [ 0.0118554000000000, 0.0000000000000000, -0.0174950700000000 ] - [ 0.0116061600000000, 0.0000000000000000, -0.0168567900000000 ] - [ -0.0366171600000000, 0.0004627600000000, 0.0129764100000000 ] - [ -0.0366171600000000, -0.0004627600000000, 0.0129764100000000 ] - [ 0.0376842900000000, 0.0000090700000000, -0.0130930300000000 ] - [ 0.0376842900000000, -0.0000090700000000, -0.0130930300000000 ] - [ -0.0199459300000000, 0.0000000000000000, 0.0120347000000000 ] - [ -0.0199103800000000, 0.0000000000000000, 0.0120049400000000 ] - [ 0.0172140000000000, 0.0000000000000000, 0.0151544400000000 ] - [ 0.0200364400000000, 0.0000000000000000, -0.0121109000000000 ] - [ -0.0104565600000000, 0.0000000000000000, 0.0394133000000000 ] - [ -0.0161991500000000, 0.0000000000000000, 0.0202322900000000 ] - [ 0.0161664200000000, 0.0000000000000000, -0.0202940100000000 ] - [ 0.0161867600000000, 0.0000000000000000, -0.0202747100000000 ] - [ -0.0118563900000000, -0.0003725400000000, 0.0168383100000000 ] - [ -0.0118563900000000, 0.0003725400000000, 0.0168383100000000 ] - [ 0.0115436300000000, 0.0000956700000000, -0.0166675500000000 ] - [ 0.0115436300000000, -0.0000956700000000, -0.0166675500000000 ] - [ -0.0375692900000000, 0.0000000000000000, 0.0129517200000000 ] - [ -0.0377371800000000, 0.0000000000000000, 0.0131116000000000 ] - [ 0.0379522300000000, 0.0000000000000000, -0.0129441500000000 ] - [ 0.0377316300000000, 0.0000000000000000, -0.0130782900000000 ] - [ -0.0199092800000000, -0.0000454500000000, 0.0121037200000000 ] - [ -0.0199092800000000, 0.0000454500000000, 0.0121037200000000 ] - [ 0.0198668900000000, -0.0000378000000000, -0.0121134600000000 ] - [ 0.0198668900000000, 0.0000378000000000, -0.0121134600000000 ] - [ -0.0162679200000000, 0.0001706600000000, 0.0200746600000000 ] - [ -0.0162679200000000, -0.0001706600000000, 0.0200746600000000 ] - [ 0.0161870900000000, -0.0000178500000000, -0.0202106500000000 ] - [ 0.0161870900000000, 0.0000178500000000, -0.0202106500000000 ]- atom: 21 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0412837000000000, 0.0525513800000000, -0.0064637000000000 ] - [ 0.0412560700000000, 0.0524789000000000, -0.0065811100000000 ] - [ -0.0370095400000000, 0.0586396200000000, 0.0068768000000000 ] - [ -0.0410331600000000, 0.0530503700000000, 0.0066121400000000 ] - [ -0.0410331600000000, -0.0530503700000000, 0.0066121400000000 ] - [ -0.0370095400000000, -0.0586396200000000, 0.0068768000000000 ] - [ 0.0412560700000000, -0.0524789000000000, -0.0065811100000000 ] - [ 0.0412837000000000, -0.0525513800000000, -0.0064637000000000 ] - [ -0.0291181600000000, -0.0107863600000000, 0.0070530800000000 ] - [ -0.0292518200000000, -0.0107726800000000, 0.0070809400000000 ] - [ 0.0460055500000000, 0.0042179700000000, -0.0199341400000000 ] - [ 0.0296834700000000, -0.0107488600000000, -0.0075919200000000 ] - [ 0.0296834700000000, 0.0107488600000000, -0.0075919200000000 ] - [ 0.0460055500000000, -0.0042179700000000, -0.0199341400000000 ] - [ -0.0292518200000000, 0.0107726800000000, 0.0070809400000000 ] - [ -0.0291181600000000, 0.0107863600000000, 0.0070530800000000 ] - [ 0.0117549700000000, 0.0000111500000000, -0.0107804400000000 ] - [ 0.0117549700000000, -0.0000111500000000, -0.0107804400000000 ] - [ -0.0125956400000000, -0.0003246800000000, 0.0082952500000000 ] - [ -0.0125956400000000, 0.0003246800000000, 0.0082952500000000 ] - [ -0.0317346900000000, 0.0000000000000000, 0.0790485200000000 ] - [ 0.0035866600000000, 0.0000000000000000, -0.0165479000000000 ] - [ -0.0044840000000000, 0.0000000000000000, 0.0168830700000000 ] - [ -0.0044578600000000, 0.0000000000000000, 0.0169717900000000 ] - [ 0.0176773500000000, 0.0000089400000000, -0.0038337500000000 ] - [ 0.0176773500000000, -0.0000089400000000, -0.0038337500000000 ] - [ -0.0184369100000000, 0.0000296400000000, 0.0043441500000000 ] - [ -0.0184369100000000, -0.0000296400000000, 0.0043441500000000 ] - [ 0.0135315300000000, 0.0001536800000000, 0.0149661600000000 ] - [ 0.0135315300000000, -0.0001536800000000, 0.0149661600000000 ] - [ -0.0136544100000000, 0.0001543200000000, -0.0154893800000000 ] - [ -0.0136544100000000, -0.0001543200000000, -0.0154893800000000 ] - [ -0.0154142000000000, 0.0342113800000000, -0.0030858100000000 ] - [ -0.0152245900000000, 0.0338484600000000, -0.0036888200000000 ] - [ 0.0154918400000000, 0.0342978100000000, 0.0031630900000000 ] - [ 0.0154401700000000, 0.0345127000000000, 0.0038749900000000 ] - [ 0.0154401700000000, -0.0345127000000000, 0.0038749900000000 ] - [ 0.0154918400000000, -0.0342978100000000, 0.0031630900000000 ] - [ -0.0152245900000000, -0.0338484600000000, -0.0036888200000000 ] - [ -0.0154142000000000, -0.0342113800000000, -0.0030858100000000 ] - [ -0.0293802500000000, -0.0313463400000000, 0.0341580500000000 ] - [ -0.0289264400000000, -0.0320515500000000, 0.0349694700000000 ] - [ 0.0296999400000000, -0.0311842700000000, -0.0344083200000000 ] - [ 0.0289985000000000, -0.0334801800000000, -0.0399756200000000 ] - [ 0.0289985000000000, 0.0334801800000000, -0.0399756200000000 ] - [ 0.0296999400000000, 0.0311842700000000, -0.0344083200000000 ] - [ -0.0289264400000000, 0.0320515500000000, 0.0349694700000000 ] - [ -0.0293802500000000, 0.0313463400000000, 0.0341580500000000 ] - [ -0.0006479000000000, 0.0101405100000000, 0.0120086600000000 ] - [ -0.0007794400000000, 0.0100106600000000, 0.0120749700000000 ] - [ 0.0007301200000000, 0.0100923300000000, -0.0120486500000000 ] - [ 0.0019101600000000, 0.0124646900000000, -0.0111553800000000 ] - [ 0.0019101600000000, -0.0124646900000000, -0.0111553800000000 ] - [ 0.0007301200000000, -0.0100923300000000, -0.0120486500000000 ] - [ -0.0007794400000000, -0.0100106600000000, 0.0120749700000000 ] - [ -0.0006479000000000, -0.0101405100000000, 0.0120086600000000 ] - [ 0.0411394000000000, 0.0522969400000000, -0.0070283700000000 ] - [ 0.0409586700000000, 0.0521443000000000, -0.0064727600000000 ] - [ -0.0413125800000000, 0.0525949100000000, 0.0066753000000000 ] - [ -0.0410396600000000, 0.0521586500000000, 0.0070710800000000 ] - [ -0.0410396600000000, -0.0521586500000000, 0.0070710800000000 ] - [ -0.0413125800000000, -0.0525949100000000, 0.0066753000000000 ] - [ 0.0409586700000000, -0.0521443000000000, -0.0064727600000000 ] - [ 0.0411394000000000, -0.0522969400000000, -0.0070283700000000 ] - [ -0.0292396000000000, -0.0103989200000000, 0.0070694900000000 ] - [ -0.0292058500000000, -0.0108342600000000, 0.0072027300000000 ] - [ 0.0291394400000000, -0.0108823500000000, -0.0070791100000000 ] - [ 0.0293391300000000, -0.0111333600000000, -0.0069582400000000 ] - [ 0.0293391300000000, 0.0111333600000000, -0.0069582400000000 ] - [ 0.0291394400000000, 0.0108823500000000, -0.0070791100000000 ] - [ -0.0292058500000000, 0.0108342600000000, 0.0072027300000000 ] - [ -0.0292396000000000, 0.0103989200000000, 0.0070694900000000 ] - [ 0.0118119800000000, 0.0000000000000000, -0.0110046900000000 ] - [ 0.0118702400000000, 0.0000000000000000, -0.0110552500000000 ] - [ -0.0129888600000000, 0.0000000000000000, 0.0095769000000000 ] - [ -0.0116829200000000, 0.0000000000000000, 0.0107559100000000 ] - [ 0.0045582900000000, 0.0000913100000000, -0.0171092500000000 ] - [ 0.0045582900000000, -0.0000913100000000, -0.0171092500000000 ] - [ -0.0043654800000000, -0.0003227400000000, 0.0169204800000000 ] - [ -0.0043654800000000, 0.0003227400000000, 0.0169204800000000 ] - [ 0.0147031100000000, 0.0000000000000000, -0.0073239900000000 ] - [ 0.0178127100000000, 0.0000000000000000, -0.0035190200000000 ] - [ -0.0179570200000000, 0.0000000000000000, 0.0035977900000000 ] - [ -0.0179672200000000, 0.0000000000000000, 0.0035443800000000 ] - [ 0.0140388200000000, 0.0000000000000000, 0.0152542200000000 ] - [ 0.0140342900000000, 0.0000000000000000, 0.0151998100000000 ] - [ -0.0138390100000000, 0.0000000000000000, -0.0151173400000000 ] - [ -0.0138285900000000, 0.0000000000000000, -0.0151631800000000 ] - [ -0.0143463700000000, 0.0316621500000000, -0.0067861100000000 ] - [ -0.0152191200000000, 0.0337652100000000, -0.0031314200000000 ] - [ 0.0156234800000000, 0.0347932200000000, 0.0034324400000000 ] - [ 0.0154282400000000, 0.0343257000000000, 0.0031382600000000 ] - [ 0.0154282400000000, -0.0343257000000000, 0.0031382600000000 ] - [ 0.0156234800000000, -0.0347932200000000, 0.0034324400000000 ] - [ -0.0152191200000000, -0.0337652100000000, -0.0031314200000000 ] - [ -0.0143463700000000, -0.0316621500000000, -0.0067861100000000 ] - [ -0.0295290400000000, -0.0311687400000000, 0.0342492200000000 ] - [ -0.0295597800000000, -0.0311896800000000, 0.0342850500000000 ] - [ 0.0296010400000000, -0.0311962500000000, -0.0345335900000000 ] - [ 0.0294653200000000, -0.0310096600000000, -0.0344292000000000 ] - [ 0.0294653200000000, 0.0310096600000000, -0.0344292000000000 ] - [ 0.0296010400000000, 0.0311962500000000, -0.0345335900000000 ] - [ -0.0295597800000000, 0.0311896800000000, 0.0342850500000000 ] - [ -0.0295290400000000, 0.0311687400000000, 0.0342492200000000 ] - [ -0.0006518500000000, 0.0096950500000000, 0.0119280700000000 ] - [ -0.0005177500000000, 0.0100912600000000, 0.0118172800000000 ] - [ 0.0006656900000000, 0.0099340700000000, -0.0121329500000000 ] - [ 0.0004780900000000, 0.0103550900000000, -0.0119410500000000 ] - [ 0.0004780900000000, -0.0103550900000000, -0.0119410500000000 ] - [ 0.0006656900000000, -0.0099340700000000, -0.0121329500000000 ] - [ -0.0005177500000000, -0.0100912600000000, 0.0118172800000000 ] - [ -0.0006518500000000, -0.0096950500000000, 0.0119280700000000 ] - [ -0.0116675300000000, 0.0000000000000000, 0.0165747800000000 ] - [ -0.0115342100000000, 0.0000000000000000, 0.0166756100000000 ] - [ 0.0112066300000000, 0.0000000000000000, -0.0158946900000000 ] - [ 0.0114655800000000, 0.0000000000000000, -0.0165282000000000 ] - [ -0.0388798100000000, -0.0004621500000000, 0.0131377300000000 ] - [ -0.0388798100000000, 0.0004621500000000, 0.0131377300000000 ] - [ 0.0378210500000000, -0.0000067100000000, -0.0130337700000000 ] - [ 0.0378210500000000, 0.0000067100000000, -0.0130337700000000 ] - [ -0.0198831300000000, 0.0000000000000000, 0.0119869100000000 ] - [ -0.0199189900000000, 0.0000000000000000, 0.0120164100000000 ] - [ 0.0226242500000000, 0.0000000000000000, -0.0374889500000000 ] - [ 0.0197934900000000, 0.0000000000000000, -0.0119112700000000 ] - [ -0.0224501900000000, 0.0000000000000000, 0.0001715900000000 ] - [ -0.0162269500000000, 0.0000000000000000, 0.0201728400000000 ] - [ 0.0162584300000000, 0.0000000000000000, -0.0201111300000000 ] - [ 0.0162379700000000, 0.0000000000000000, -0.0201297000000000 ] - [ -0.0112134100000000, 0.0003781900000000, 0.0165458300000000 ] - [ -0.0112134100000000, -0.0003781900000000, 0.0165458300000000 ] - [ 0.0115298900000000, -0.0000967700000000, -0.0167200800000000 ] - [ 0.0115298900000000, 0.0000967700000000, -0.0167200800000000 ] - [ -0.0379419700000000, 0.0000000000000000, 0.0131738800000000 ] - [ -0.0377682400000000, 0.0000000000000000, 0.0130158200000000 ] - [ 0.0375531600000000, 0.0000000000000000, -0.0131822900000000 ] - [ 0.0377776900000000, 0.0000000000000000, -0.0130486200000000 ] - [ -0.0199199500000000, 0.0000429000000000, 0.0119165300000000 ] - [ -0.0199199500000000, -0.0000429000000000, 0.0119165300000000 ] - [ 0.0199620500000000, 0.0000367100000000, -0.0119090100000000 ] - [ 0.0199620500000000, -0.0000367100000000, -0.0119090100000000 ] - [ -0.0161587400000000, -0.0001713100000000, 0.0203315100000000 ] - [ -0.0161587400000000, 0.0001713100000000, 0.0203315100000000 ] - [ 0.0162365000000000, 0.0000179500000000, -0.0201937900000000 ] - [ 0.0162365000000000, -0.0000179500000000, -0.0201937900000000 ]- atom: 25 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0416584600000000, 0.0528587800000000, -0.0067499900000000 ] - [ 0.0413255400000000, 0.0524771600000000, -0.0066987200000000 ] - [ -0.0412856100000000, 0.0526592800000000, 0.0067701200000000 ] - [ -0.0411943900000000, 0.0526098900000000, 0.0067536600000000 ] - [ -0.0412856100000000, -0.0526592800000000, 0.0067701200000000 ] - [ -0.0411943900000000, -0.0526098900000000, 0.0067536600000000 ] - [ 0.0416584600000000, -0.0528587800000000, -0.0067499900000000 ] - [ 0.0413255400000000, -0.0524771600000000, -0.0066987200000000 ] - [ -0.0272220500000000, -0.0087483400000000, 0.0046190900000000 ] - [ -0.0292507100000000, -0.0104642300000000, 0.0070363600000000 ] - [ 0.0292794600000000, -0.0109333300000000, -0.0071786600000000 ] - [ 0.0291950100000000, -0.0108864300000000, -0.0072000800000000 ] - [ 0.0292794600000000, 0.0109333300000000, -0.0071786600000000 ] - [ 0.0291950100000000, 0.0108864300000000, -0.0072000800000000 ] - [ -0.0272220500000000, 0.0087483400000000, 0.0046190900000000 ] - [ -0.0292507100000000, 0.0104642300000000, 0.0070363600000000 ] - [ 0.0115973900000000, 0.0000000000000000, -0.0109268800000000 ] - [ 0.0116458400000000, 0.0000000000000000, -0.0107916400000000 ] - [ -0.0116826000000000, 0.0000000000000000, 0.0108238300000000 ] - [ -0.0117149500000000, 0.0000000000000000, 0.0106233100000000 ] - [ 0.0044630400000000, -0.0000729900000000, -0.0167636000000000 ] - [ 0.0044630400000000, 0.0000729900000000, -0.0167636000000000 ] - [ -0.0045919900000000, -0.0002657400000000, 0.0175380600000000 ] - [ -0.0045919900000000, 0.0002657400000000, 0.0175380600000000 ] - [ -0.0993817700000000, 0.0000000000000000, 0.0235975400000000 ] - [ 0.0170097200000000, 0.0000000000000000, -0.0030166300000000 ] - [ -0.0189771200000000, 0.0000000000000000, 0.0032230100000000 ] - [ -0.0179891300000000, 0.0000000000000000, 0.0035124000000000 ] - [ 0.0141497100000000, 0.0000000000000000, 0.0148839800000000 ] - [ 0.0139576200000000, 0.0000000000000000, 0.0151401100000000 ] - [ -0.0134526200000000, 0.0000000000000000, -0.0142336400000000 ] - [ -0.0138839900000000, 0.0000000000000000, -0.0151258100000000 ] - [ -0.0103687000000000, 0.0310794500000000, -0.0021334700000000 ] - [ -0.0150470000000000, 0.0333692500000000, -0.0030032900000000 ] - [ 0.0155017400000000, 0.0338297800000000, 0.0027854100000000 ] - [ 0.0158007300000000, 0.0345401600000000, 0.0032429400000000 ] - [ 0.0155017400000000, -0.0338297800000000, 0.0027854100000000 ] - [ 0.0158007300000000, -0.0345401600000000, 0.0032429400000000 ] - [ -0.0103687000000000, -0.0310794500000000, -0.0021334700000000 ] - [ -0.0150470000000000, -0.0333692500000000, -0.0030032900000000 ] - [ -0.0292398900000000, -0.0318490100000000, 0.0341433600000000 ] - [ -0.0294587300000000, -0.0310789400000000, 0.0344519900000000 ] - [ 0.0294168600000000, -0.0309957300000000, -0.0342559300000000 ] - [ 0.0294734000000000, -0.0310395200000000, -0.0344741800000000 ] - [ 0.0294168600000000, 0.0309957300000000, -0.0342559300000000 ] - [ 0.0294734000000000, 0.0310395200000000, -0.0344741800000000 ] - [ -0.0292398900000000, 0.0318490100000000, 0.0341433600000000 ] - [ -0.0294587300000000, 0.0310789400000000, 0.0344519900000000 ] - [ -0.0009700500000000, 0.0107747300000000, 0.0116388700000000 ] - [ -0.0004985600000000, 0.0105492100000000, 0.0121515100000000 ] - [ 0.0004625800000000, 0.0101167800000000, -0.0121162200000000 ] - [ 0.0005297200000000, 0.0100585600000000, -0.0120952100000000 ] - [ 0.0004625800000000, -0.0101167800000000, -0.0121162200000000 ] - [ 0.0005297200000000, -0.0100585600000000, -0.0120952100000000 ] - [ -0.0009700500000000, -0.0107747300000000, 0.0116388700000000 ] - [ -0.0004985600000000, -0.0105492100000000, 0.0121515100000000 ] - [ 0.0410230900000000, 0.0523378300000000, -0.0065996300000000 ] - [ 0.0411901000000000, 0.0525220100000000, -0.0066623500000000 ] - [ -0.0407732100000000, 0.0527564200000000, 0.0067147500000000 ] - [ -0.0411836100000000, 0.0525931500000000, 0.0066021600000000 ] - [ -0.0407732100000000, -0.0527564200000000, 0.0067147500000000 ] - [ -0.0411836100000000, -0.0525931500000000, 0.0066021600000000 ] - [ 0.0410230900000000, -0.0523378300000000, -0.0065996300000000 ] - [ 0.0411901000000000, -0.0525220100000000, -0.0066623500000000 ] - [ -0.0291533600000000, -0.0105764300000000, 0.0064635100000000 ] - [ -0.0291456500000000, -0.0106513700000000, 0.0070790300000000 ] - [ 0.0287305600000000, -0.0112793400000000, -0.0075951500000000 ] - [ 0.0291461500000000, -0.0109189700000000, -0.0072397300000000 ] - [ 0.0287305600000000, 0.0112793400000000, -0.0075951500000000 ] - [ 0.0291461500000000, 0.0109189700000000, -0.0072397300000000 ] - [ -0.0291533600000000, 0.0105764300000000, 0.0064635100000000 ] - [ -0.0291456500000000, 0.0106513700000000, 0.0070790300000000 ] - [ 0.0117729500000000, 0.0000185900000000, -0.0107052200000000 ] - [ 0.0117729500000000, -0.0000185900000000, -0.0107052200000000 ] - [ -0.0117263600000000, -0.0000073100000000, 0.0105885700000000 ] - [ -0.0117263600000000, 0.0000073100000000, 0.0105885700000000 ] - [ 0.0059759400000000, 0.0000000000000000, -0.0131543000000000 ] - [ 0.0044366700000000, 0.0000000000000000, -0.0169246900000000 ] - [ -0.0040583200000000, 0.0000000000000000, 0.0171967100000000 ] - [ -0.0044761100000000, 0.0000000000000000, 0.0170742300000000 ] - [ 0.0185079500000000, -0.0005200000000000, -0.0035824200000000 ] - [ 0.0185079500000000, 0.0005200000000000, -0.0035824200000000 ] - [ -0.0190302400000000, 0.0000089800000000, 0.0035525400000000 ] - [ -0.0190302400000000, -0.0000089800000000, 0.0035525400000000 ] - [ 0.0139754100000000, 0.0000514400000000, 0.0152304100000000 ] - [ 0.0139754100000000, -0.0000514400000000, 0.0152304100000000 ] - [ -0.0138598600000000, -0.0000939000000000, -0.0151529000000000 ] - [ -0.0138598600000000, 0.0000939000000000, -0.0151529000000000 ] - [ -0.0098898000000000, 0.0269904300000000, -0.0046859100000000 ] - [ -0.0147938000000000, 0.0334764100000000, -0.0030501800000000 ] - [ 0.0454722200000000, 0.0069853100000000, -0.0107280100000000 ] - [ 0.0161398600000000, 0.0342510000000000, 0.0029324300000000 ] - [ 0.0454722200000000, -0.0069853100000000, -0.0107280100000000 ] - [ 0.0161398600000000, -0.0342510000000000, 0.0029324300000000 ] - [ -0.0098898000000000, -0.0269904300000000, -0.0046859100000000 ] - [ -0.0147938000000000, -0.0334764100000000, -0.0030501800000000 ] - [ -0.0294046100000000, -0.0309795900000000, 0.0343283200000000 ] - [ -0.0294947700000000, -0.0311377900000000, 0.0344564900000000 ] - [ 0.0294335100000000, -0.0311121400000000, -0.0342195100000000 ] - [ 0.0294883600000000, -0.0309548600000000, -0.0344416800000000 ] - [ 0.0294335100000000, 0.0311121400000000, -0.0342195100000000 ] - [ 0.0294883600000000, 0.0309548600000000, -0.0344416800000000 ] - [ -0.0294046100000000, 0.0309795900000000, 0.0343283200000000 ] - [ -0.0294947700000000, 0.0311377900000000, 0.0344564900000000 ] - [ -0.0008614100000000, 0.0104049200000000, 0.0119230600000000 ] - [ -0.0006344900000000, 0.0100953600000000, 0.0120359800000000 ] - [ 0.0010970600000000, 0.0122561800000000, -0.0162505200000000 ] - [ 0.0006358200000000, 0.0101166100000000, -0.0123423800000000 ] - [ 0.0010970600000000, -0.0122561800000000, -0.0162505200000000 ] - [ 0.0006358200000000, -0.0101166100000000, -0.0123423800000000 ] - [ -0.0008614100000000, -0.0104049200000000, 0.0119230600000000 ] - [ -0.0006344900000000, -0.0100953600000000, 0.0120359800000000 ] - [ -0.0114541000000000, -0.0000539500000000, 0.0165625700000000 ] - [ -0.0114541000000000, 0.0000539500000000, 0.0165625700000000 ] - [ 0.0115176900000000, -0.0000003500000000, -0.0167115500000000 ] - [ 0.0115176900000000, 0.0000003500000000, -0.0167115500000000 ] - [ -0.0377148800000000, 0.0000000000000000, 0.0131248500000000 ] - [ -0.0377055400000000, 0.0000000000000000, 0.0130751500000000 ] - [ 0.0374026300000000, 0.0000000000000000, -0.0159549000000000 ] - [ 0.0377001500000000, 0.0000000000000000, -0.0130383100000000 ] - [ -0.0208744900000000, 0.0009658200000000, 0.0129230400000000 ] - [ -0.0208744900000000, -0.0009658200000000, 0.0129230400000000 ] - [ 0.0202012300000000, 0.0002986900000000, -0.0117677800000000 ] - [ 0.0202012300000000, -0.0002986900000000, -0.0117677800000000 ] - [ -0.0161427400000000, -0.0000199600000000, 0.0201993200000000 ] - [ -0.0161427400000000, 0.0000199600000000, 0.0201993200000000 ] - [ 0.0162455400000000, -0.0000885400000000, -0.0201872500000000 ] - [ 0.0162455400000000, 0.0000885400000000, -0.0201872500000000 ] - [ -0.0115877000000000, 0.0000000000000000, 0.0169903000000000 ] - [ -0.0115246300000000, 0.0000000000000000, 0.0166955100000000 ] - [ 0.0115164200000000, 0.0000000000000000, -0.0166261700000000 ] - [ 0.0115313700000000, 0.0000000000000000, -0.0166719900000000 ] - [ -0.0378096600000000, -0.0001099600000000, 0.0131141200000000 ] - [ -0.0378096600000000, 0.0001099600000000, 0.0131141200000000 ] - [ 0.0377658900000000, 0.0000349100000000, -0.0130831300000000 ] - [ 0.0377658900000000, -0.0000349100000000, -0.0130831300000000 ] - [ -0.0199428000000000, 0.0000000000000000, 0.0120363100000000 ] - [ -0.0199205600000000, 0.0000000000000000, 0.0119656100000000 ] - [ 0.0491010400000000, 0.0000000000000000, 0.0022305800000000 ] - [ 0.0198846500000000, 0.0000000000000000, -0.0119128000000000 ] - [ -0.0163093900000000, 0.0000000000000000, 0.0201296700000000 ] - [ -0.0161947500000000, 0.0000000000000000, 0.0201803100000000 ] - [ 0.0162207400000000, 0.0000000000000000, -0.0202865300000000 ] - [ 0.0162067700000000, 0.0000000000000000, -0.0201650900000000 ]- atom: 25 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0408380400000000, 0.0522568400000000, -0.0065422500000000 ] - [ 0.0411730200000000, 0.0526460100000000, -0.0065957500000000 ] - [ -0.0412108400000000, 0.0524631400000000, 0.0065254500000000 ] - [ -0.0413035900000000, 0.0525153600000000, 0.0065414400000000 ] - [ -0.0412108400000000, -0.0524631400000000, 0.0065254500000000 ] - [ -0.0413035900000000, -0.0525153600000000, 0.0065414400000000 ] - [ 0.0408380400000000, -0.0522568400000000, -0.0065422500000000 ] - [ 0.0411730200000000, -0.0526460100000000, -0.0065957500000000 ] - [ -0.0312883200000000, -0.0128999800000000, 0.0096437900000000 ] - [ -0.0292508900000000, -0.0111749100000000, 0.0072154800000000 ] - [ 0.0292165000000000, -0.0107025100000000, -0.0070729300000000 ] - [ 0.0293039200000000, -0.0107535100000000, -0.0070518200000000 ] - [ 0.0292165000000000, 0.0107025100000000, -0.0070729300000000 ] - [ 0.0293039200000000, 0.0107535100000000, -0.0070518200000000 ] - [ -0.0312883200000000, 0.0128999800000000, 0.0096437900000000 ] - [ -0.0292508900000000, 0.0111749100000000, 0.0072154800000000 ] - [ 0.0118344400000000, 0.0000000000000000, -0.0105545000000000 ] - [ 0.0117849800000000, 0.0000000000000000, -0.0106889300000000 ] - [ -0.0117507400000000, 0.0000000000000000, 0.0106588700000000 ] - [ -0.0117154700000000, 0.0000000000000000, 0.0108546400000000 ] - [ 0.0043668700000000, 0.0000737200000000, -0.0173168700000000 ] - [ 0.0043668700000000, -0.0000737200000000, -0.0173168700000000 ] - [ -0.0042369800000000, 0.0002671800000000, 0.0165494800000000 ] - [ -0.0042369800000000, -0.0002671800000000, 0.0165494800000000 ] - [ 0.1363904400000000, 0.0000000000000000, -0.0285612200000000 ] - [ 0.0188433900000000, 0.0000000000000000, -0.0040886200000000 ] - [ -0.0168768500000000, 0.0000000000000000, 0.0038956800000000 ] - [ -0.0178575900000000, 0.0000000000000000, 0.0035916400000000 ] - [ 0.0136918200000000, 0.0000000000000000, 0.0154275600000000 ] - [ 0.0138898600000000, 0.0000000000000000, 0.0151632000000000 ] - [ -0.0143829700000000, 0.0000000000000000, -0.0160933400000000 ] - [ -0.0139618700000000, 0.0000000000000000, -0.0151765100000000 ] - [ -0.0204985000000000, 0.0375130500000000, -0.0039765700000000 ] - [ -0.0157571700000000, 0.0351125500000000, -0.0031193200000000 ] - [ 0.0152759600000000, 0.0346432400000000, 0.0033311100000000 ] - [ 0.0150003000000000, 0.0339436800000000, 0.0028852200000000 ] - [ 0.0152759600000000, -0.0346432400000000, 0.0033311100000000 ] - [ 0.0150003000000000, -0.0339436800000000, 0.0028852200000000 ] - [ -0.0204985000000000, -0.0375130500000000, -0.0039765700000000 ] - [ -0.0157571700000000, -0.0351125500000000, -0.0031193200000000 ] - [ -0.0297073800000000, -0.0302624600000000, 0.0347247700000000 ] - [ -0.0294870400000000, -0.0310385800000000, 0.0344226700000000 ] - [ 0.0295298500000000, -0.0311246800000000, -0.0346203800000000 ] - [ 0.0294733600000000, -0.0310794200000000, -0.0344009600000000 ] - [ 0.0295298500000000, 0.0311246800000000, -0.0346203800000000 ] - [ 0.0294733600000000, 0.0310794200000000, -0.0344009600000000 ] - [ -0.0297073800000000, 0.0302624600000000, 0.0347247700000000 ] - [ -0.0294870400000000, 0.0310385800000000, 0.0344226700000000 ] - [ -0.0002834600000000, 0.0094158300000000, 0.0124997000000000 ] - [ -0.0007660000000000, 0.0096457600000000, 0.0119608700000000 ] - [ 0.0007982500000000, 0.0100894700000000, -0.0120044300000000 ] - [ 0.0007314600000000, 0.0101437900000000, -0.0120239700000000 ] - [ 0.0007982500000000, -0.0100894700000000, -0.0120044300000000 ] - [ 0.0007314600000000, -0.0101437900000000, -0.0120239700000000 ] - [ -0.0002834600000000, -0.0094158300000000, 0.0124997000000000 ] - [ -0.0007660000000000, -0.0096457600000000, 0.0119608700000000 ] - [ 0.0414784900000000, 0.0527870200000000, -0.0066993000000000 ] - [ 0.0413088200000000, 0.0526019300000000, -0.0066330600000000 ] - [ -0.0417337300000000, 0.0523635200000000, 0.0065772800000000 ] - [ -0.0413168600000000, 0.0525301600000000, 0.0066941800000000 ] - [ -0.0417337300000000, -0.0523635200000000, 0.0065772800000000 ] - [ -0.0413168600000000, -0.0525301600000000, 0.0066941800000000 ] - [ 0.0414784900000000, -0.0527870200000000, -0.0066993000000000 ] - [ 0.0413088200000000, -0.0526019300000000, -0.0066330600000000 ] - [ -0.0293422300000000, -0.0110526300000000, 0.0077834700000000 ] - [ -0.0293513500000000, -0.0109847300000000, 0.0071720400000000 ] - [ 0.0297857700000000, -0.0103405700000000, -0.0066465300000000 ] - [ 0.0293542500000000, -0.0107203800000000, -0.0070120600000000 ] - [ 0.0297857700000000, 0.0103405700000000, -0.0066465300000000 ] - [ 0.0293542500000000, 0.0107203800000000, -0.0070120600000000 ] - [ -0.0293422300000000, 0.0110526300000000, 0.0077834700000000 ] - [ -0.0293513500000000, 0.0109847300000000, 0.0071720400000000 ] - [ 0.0116597100000000, -0.0000185500000000, -0.0107750600000000 ] - [ 0.0116597100000000, 0.0000185500000000, -0.0107750600000000 ] - [ -0.0117062100000000, 0.0000067800000000, 0.0108963200000000 ] - [ -0.0117062100000000, -0.0000067800000000, 0.0108963200000000 ] - [ 0.0028574900000000, 0.0000000000000000, -0.0210012000000000 ] - [ 0.0043907100000000, 0.0000000000000000, -0.0171668600000000 ] - [ -0.0047667500000000, 0.0000000000000000, 0.0169005600000000 ] - [ -0.0043528000000000, 0.0000000000000000, 0.0170148300000000 ] - [ 0.0173432200000000, 0.0005116400000000, -0.0035130800000000 ] - [ 0.0173432200000000, -0.0005116400000000, -0.0035130800000000 ] - [ -0.0167883200000000, 0.0000011000000000, 0.0035344800000000 ] - [ -0.0167883200000000, -0.0000011000000000, 0.0035344800000000 ] - [ 0.0138691500000000, -0.0000508800000000, 0.0150724600000000 ] - [ 0.0138691500000000, 0.0000508800000000, 0.0150724600000000 ] - [ -0.0139866800000000, 0.0000936600000000, -0.0151497600000000 ] - [ -0.0139866800000000, -0.0000936600000000, -0.0151497600000000 ] - [ -0.0208146000000000, 0.0413767300000000, -0.0014985400000000 ] - [ -0.0159995700000000, 0.0349961400000000, -0.0030776400000000 ] - [ -0.0145225000000000, 0.0607958300000000, 0.0164150400000000 ] - [ 0.0146554200000000, 0.0342275900000000, 0.0031950100000000 ] - [ -0.0145225000000000, -0.0607958300000000, 0.0164150400000000 ] - [ 0.0146554200000000, -0.0342275900000000, 0.0031950100000000 ] - [ -0.0208146000000000, -0.0413767300000000, -0.0014985400000000 ] - [ -0.0159995700000000, -0.0349961400000000, -0.0030776400000000 ] - [ -0.0295418900000000, -0.0311333600000000, 0.0345449700000000 ] - [ -0.0294505700000000, -0.0309793200000000, 0.0344171000000000 ] - [ 0.0295139300000000, -0.0310075100000000, -0.0346533300000000 ] - [ 0.0294569300000000, -0.0311606900000000, -0.0344328000000000 ] - [ 0.0295139300000000, 0.0310075100000000, -0.0346533300000000 ] - [ 0.0294569300000000, 0.0311606900000000, -0.0344328000000000 ] - [ -0.0295418900000000, 0.0311333600000000, 0.0345449700000000 ] - [ -0.0294505700000000, 0.0309793200000000, 0.0344171000000000 ] - [ -0.0004135900000000, 0.0098174300000000, 0.0121731100000000 ] - [ -0.0006265400000000, 0.0101102000000000, 0.0120817900000000 ] - [ 0.0001735400000000, 0.0079291700000000, -0.0078765800000000 ] - [ 0.0006257800000000, 0.0100884000000000, -0.0117756000000000 ] - [ 0.0001735400000000, -0.0079291700000000, -0.0078765800000000 ] - [ 0.0006257800000000, -0.0100884000000000, -0.0117756000000000 ] - [ -0.0004135900000000, -0.0098174300000000, 0.0121731100000000 ] - [ -0.0006265400000000, -0.0101102000000000, 0.0120817900000000 ] - [ -0.0116216800000000, 0.0000550000000000, 0.0168254000000000 ] - [ -0.0116216800000000, -0.0000550000000000, 0.0168254000000000 ] - [ 0.0115545900000000, 0.0000006900000000, -0.0166744300000000 ] - [ 0.0115545900000000, -0.0000006900000000, -0.0166744300000000 ] - [ -0.0377958300000000, 0.0000000000000000, 0.0129997400000000 ] - [ -0.0378047000000000, 0.0000000000000000, 0.0130513400000000 ] - [ 0.0380636900000000, 0.0000000000000000, -0.0103592700000000 ] - [ 0.0378093100000000, 0.0000000000000000, -0.0130869200000000 ] - [ -0.0189481400000000, -0.0009698600000000, 0.0111064900000000 ] - [ -0.0189481400000000, 0.0009698600000000, 0.0111064900000000 ] - [ 0.0196403800000000, -0.0002937400000000, -0.0122483400000000 ] - [ 0.0196403800000000, 0.0002937400000000, -0.0122483400000000 ] - [ -0.0162811200000000, 0.0000203200000000, 0.0202036100000000 ] - [ -0.0162811200000000, -0.0000203200000000, 0.0202036100000000 ] - [ 0.0161770300000000, 0.0000894300000000, -0.0202177800000000 ] - [ 0.0161770300000000, -0.0000894300000000, -0.0202177800000000 ] - [ -0.0114865500000000, 0.0000000000000000, 0.0163992900000000 ] - [ -0.0115507900000000, 0.0000000000000000, 0.0166913100000000 ] - [ 0.0115577500000000, 0.0000000000000000, -0.0167602900000000 ] - [ 0.0115409800000000, 0.0000000000000000, -0.0167139200000000 ] - [ -0.0376981700000000, 0.0001118000000000, 0.0130114200000000 ] - [ -0.0376981700000000, -0.0001118000000000, 0.0130114200000000 ] - [ 0.0377436700000000, -0.0000360400000000, -0.0130408500000000 ] - [ 0.0377436700000000, 0.0000360400000000, -0.0130408500000000 ] - [ -0.0198830800000000, 0.0000000000000000, 0.0119839300000000 ] - [ -0.0199071900000000, 0.0000000000000000, 0.0120548300000000 ] - [ -0.0108105200000000, 0.0000000000000000, -0.0271655600000000 ] - [ 0.0199480000000000, 0.0000000000000000, -0.0121109300000000 ] - [ -0.0161195600000000, 0.0000000000000000, 0.0202690500000000 ] - [ -0.0162281000000000, 0.0000000000000000, 0.0202218700000000 ] - [ 0.0162025400000000, 0.0000000000000000, -0.0201185000000000 ] - [ 0.0162173900000000, 0.0000000000000000, -0.0202401900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0416572300000000, 0.0535835500000000, -0.0070678600000000 ] - [ 0.0412833700000000, 0.0523390500000000, -0.0066075400000000 ] - [ -0.0412148200000000, 0.0525594800000000, 0.0066434100000000 ] - [ -0.0412246600000000, 0.0525763300000000, 0.0066564100000000 ] - [ -0.0412862700000000, -0.0525657200000000, 0.0066519100000000 ] - [ -0.0412755500000000, -0.0525509000000000, 0.0066391200000000 ] - [ 0.0408415200000000, -0.0515442900000000, -0.0062265400000000 ] - [ 0.0412170300000000, -0.0527846500000000, -0.0066869000000000 ] - [ -0.0251513100000000, -0.0086008600000000, 0.0033976700000000 ] - [ -0.0296523900000000, -0.0106819300000000, 0.0068270200000000 ] - [ 0.0291373400000000, -0.0107904900000000, -0.0070874700000000 ] - [ 0.0292475000000000, -0.0109067000000000, -0.0070710600000000 ] - [ 0.0293603700000000, 0.0108475300000000, -0.0071649000000000 ] - [ 0.0292512400000000, 0.0107326200000000, -0.0071793700000000 ] - [ -0.0333685700000000, 0.0130407900000000, 0.0108611600000000 ] - [ -0.0288455200000000, 0.0109595300000000, 0.0074220200000000 ] - [ 0.0117148300000000, 0.0001189900000000, -0.0107424500000000 ] - [ 0.0117147600000000, -0.0000021400000000, -0.0107425800000000 ] - [ -0.0117153000000000, 0.0000580600000000, 0.0107420400000000 ] - [ -0.0117149400000000, 0.0000102600000000, 0.0107418500000000 ] - [ 0.0044291100000000, 0.0000397900000000, -0.0170474300000000 ] - [ 0.0043979400000000, 0.0000396500000000, -0.0170363300000000 ] - [ -0.0044220000000000, -0.0006131600000000, 0.0170838700000000 ] - [ -0.0044036600000000, -0.0006062600000000, 0.0170199000000000 ] - [ 0.0163096600000000, -0.1459019700000000, -0.0022410800000000 ] - [ 0.0179210700000000, 0.0001890800000000, -0.0035493500000000 ] - [ -0.0179344400000000, 0.0019620400000000, 0.0035518700000000 ] - [ -0.0179253800000000, -0.0002155400000000, 0.0035521900000000 ] - [ 0.0139233000000000, 0.0003838000000000, 0.0151509100000000 ] - [ 0.0139253700000000, -0.0000203000000000, 0.0151516500000000 ] - [ -0.0139094300000000, -0.0001801400000000, -0.0151445700000000 ] - [ -0.0139244000000000, 0.0000136300000000, -0.0151517700000000 ] - [ -0.0202103800000000, 0.0356530100000000, -0.0029998900000000 ] - [ -0.0156281500000000, 0.0342219900000000, -0.0033775700000000 ] - [ 0.0160083700000000, 0.0356742700000000, 0.0038189100000000 ] - [ 0.0155008800000000, 0.0337447500000000, 0.0028187500000000 ] - [ 0.0147882000000000, -0.0328020500000000, 0.0023024300000000 ] - [ 0.0152958100000000, -0.0347391000000000, 0.0033084400000000 ] - [ -0.0105945900000000, -0.0328383700000000, -0.0030990600000000 ] - [ -0.0151649600000000, -0.0342565600000000, -0.0027465100000000 ] - [ -0.0297135600000000, -0.0310374900000000, 0.0345186600000000 ] - [ -0.0294131700000000, -0.0310380100000000, 0.0344509300000000 ] - [ 0.0294723800000000, -0.0308651400000000, -0.0344894900000000 ] - [ 0.0295049800000000, -0.0310485300000000, -0.0344446700000000 ] - [ 0.0294774400000000, 0.0312536100000000, -0.0343855300000000 ] - [ 0.0294418200000000, 0.0310699600000000, -0.0344303300000000 ] - [ -0.0292290000000000, 0.0310784000000000, 0.0343515400000000 ] - [ -0.0295324600000000, 0.0310789500000000, 0.0344238500000000 ] - [ -0.0000487000000000, 0.0099869400000000, 0.0117240700000000 ] - [ -0.0004930800000000, 0.0109024600000000, 0.0123064800000000 ] - [ 0.0005398100000000, 0.0100893000000000, -0.0119570200000000 ] - [ 0.0006028200000000, 0.0100362600000000, -0.0120366800000000 ] - [ 0.0007193000000000, -0.0101141000000000, -0.0121603900000000 ] - [ 0.0006580300000000, -0.0101656400000000, -0.0120799400000000 ] - [ -0.0012179300000000, -0.0102224500000000, 0.0123902100000000 ] - [ -0.0007658100000000, -0.0093005600000000, 0.0118084600000000 ] - [ 0.0411492300000000, 0.0524591100000000, -0.0067066600000000 ] - [ 0.0412790100000000, 0.0525593500000000, -0.0066706900000000 ] - [ -0.0409975100000000, 0.0525834100000000, 0.0068508500000000 ] - [ -0.0412048400000000, 0.0525113300000000, 0.0065472800000000 ] - [ -0.0415038300000000, -0.0525425200000000, 0.0064522300000000 ] - [ -0.0412978300000000, -0.0526174700000000, 0.0067485900000000 ] - [ 0.0413524100000000, -0.0526649100000000, -0.0065891600000000 ] - [ 0.0412223100000000, -0.0525689500000000, -0.0066252100000000 ] - [ -0.0290988600000000, -0.0105984700000000, 0.0065529100000000 ] - [ -0.0293552400000000, -0.0108743500000000, 0.0071138100000000 ] - [ 0.0296586100000000, -0.0110428500000000, -0.0073021000000000 ] - [ 0.0291500300000000, -0.0107858800000000, -0.0070838500000000 ] - [ 0.0288451700000000, 0.0105955600000000, -0.0069511100000000 ] - [ 0.0293468800000000, 0.0108535800000000, -0.0071676300000000 ] - [ -0.0294084300000000, 0.0110398400000000, 0.0077002400000000 ] - [ -0.0291433000000000, 0.0107628000000000, 0.0071382000000000 ] - [ 0.0116503500000000, 0.0000526200000000, -0.0107482500000000 ] - [ 0.0117809800000000, 0.0000522800000000, -0.0107341600000000 ] - [ -0.0118863100000000, 0.0000338600000000, 0.0106367700000000 ] - [ -0.0115468900000000, 0.0000335400000000, 0.0108427700000000 ] - [ 0.0044294200000000, -0.0005492400000000, -0.0170391200000000 ] - [ 0.0044144700000000, 0.0001032500000000, -0.0170452600000000 ] - [ -0.0044165400000000, -0.0000839400000000, 0.0170409400000000 ] - [ -0.0044132400000000, -0.0000791500000000, 0.0170445700000000 ] - [ 0.0184379600000000, 0.0006351300000000, -0.0030341400000000 ] - [ 0.0174084400000000, 0.0006398600000000, -0.0040688600000000 ] - [ -0.0179220400000000, -0.0003666500000000, 0.0033710900000000 ] - [ -0.0179296200000000, -0.0003645600000000, 0.0037221200000000 ] - [ 0.0138843900000000, -0.0000389800000000, 0.0151565400000000 ] - [ 0.0139618100000000, -0.0000378700000000, 0.0151463500000000 ] - [ -0.0139961500000000, 0.0000691600000000, -0.0152001800000000 ] - [ -0.0138503600000000, 0.0000674600000000, -0.0151035400000000 ] - [ -0.0208931200000000, 0.0336877700000000, -0.0047437000000000 ] - [ -0.0154928900000000, 0.0339733400000000, -0.0031531300000000 ] - [ -0.0144250000000000, 0.0934195100000000, 0.0299221000000000 ] - [ 0.0152851600000000, 0.0348562200000000, 0.0030736200000000 ] - [ 0.0467820600000000, 0.0268753300000000, -0.0251203600000000 ] - [ 0.0155265500000000, -0.0336266900000000, 0.0030453100000000 ] - [ -0.0098623200000000, -0.0347247700000000, -0.0013825500000000 ] - [ -0.0153024600000000, -0.0344992800000000, -0.0029730200000000 ] - [ -0.0295218200000000, -0.0310618400000000, 0.0345009200000000 ] - [ -0.0294427000000000, -0.0311140600000000, 0.0344466500000000 ] - [ 0.0295922600000000, -0.0310504800000000, -0.0344546100000000 ] - [ 0.0294787600000000, -0.0310088800000000, -0.0344059000000000 ] - [ 0.0293555600000000, 0.0310693900000000, -0.0344176300000000 ] - [ 0.0294657400000000, 0.0311069000000000, -0.0344674400000000 ] - [ -0.0294269200000000, 0.0310544100000000, 0.0343745500000000 ] - [ -0.0295034100000000, 0.0310005900000000, 0.0344267300000000 ] - [ -0.0006727900000000, 0.0100432400000000, 0.0116718000000000 ] - [ -0.0005943500000000, 0.0102037800000000, 0.0120418600000000 ] - [ 0.0004644600000000, 0.0105784100000000, -0.0075088100000000 ] - [ 0.0005679800000000, 0.0101920500000000, -0.0120139200000000 ] - [ 0.0007965400000000, -0.0095877400000000, -0.0165918400000000 ] - [ 0.0006927500000000, -0.0100094400000000, -0.0121019400000000 ] - [ -0.0005835600000000, -0.0101510200000000, 0.0124264300000000 ] - [ -0.0006665100000000, -0.0099997900000000, 0.0120749500000000 ] - [ -0.0115333600000000, -0.0000737900000000, 0.0165782500000000 ] - [ -0.0115411700000000, -0.0000718100000000, 0.0168100900000000 ] - [ 0.0115546300000000, -0.0000212000000000, -0.0166841900000000 ] - [ 0.0115244200000000, -0.0000206300000000, -0.0167055100000000 ] - [ -0.0377537000000000, -0.0002261100000000, 0.0130638900000000 ] - [ -0.0377529600000000, 0.0000042600000000, 0.0130640900000000 ] - [ 0.0377551700000000, 0.0035458000000000, -0.0130938200000000 ] - [ 0.0377517600000000, -0.0000953800000000, -0.0130628500000000 ] - [ -0.0199142600000000, 0.0018102000000000, 0.0122773000000000 ] - [ -0.0199272500000000, 0.0018412100000000, 0.0117545200000000 ] - [ 0.0196647100000000, 0.0000676300000000, -0.0118898100000000 ] - [ 0.0201748800000000, 0.0000676600000000, -0.0121286700000000 ] - [ -0.0162704700000000, -0.0000307100000000, 0.0201947500000000 ] - [ -0.0161520000000000, -0.0000317200000000, 0.0202055700000000 ] - [ 0.0161632900000000, -0.0000169600000000, -0.0201840200000000 ] - [ 0.0162586900000000, -0.0000170100000000, -0.0202156600000000 ] - [ -0.0115387600000000, -0.0000065600000000, 0.0166959300000000 ] - [ -0.0115373000000000, 0.0000081500000000, 0.0166952300000000 ] - [ 0.0115375500000000, -0.0001325200000000, -0.0166971100000000 ] - [ 0.0115413400000000, -0.0000092800000000, -0.0166950000000000 ] - [ -0.0375815200000000, 0.0000944000000000, 0.0131282100000000 ] - [ -0.0379241800000000, 0.0000937500000000, 0.0129999800000000 ] - [ 0.0376420100000000, -0.0000864400000000, -0.0130398000000000 ] - [ 0.0378639100000000, -0.0000850100000000, -0.0130877700000000 ] - [ -0.0199120500000000, -0.0001119100000000, 0.0120125600000000 ] - [ -0.0199152200000000, 0.0000530800000000, 0.0120104000000000 ] - [ 0.0199284300000000, 0.0044340700000000, -0.0120218100000000 ] - [ 0.0199147100000000, 0.0001250400000000, -0.0120094900000000 ] - [ -0.0162134800000000, -0.0000065600000000, 0.0201989200000000 ] - [ -0.0162111100000000, -0.0000138100000000, 0.0202007100000000 ] - [ 0.0162111600000000, -0.0000283400000000, -0.0202012800000000 ] - [ 0.0162106400000000, 0.0000261800000000, -0.0202004900000000 ]- atom: 25 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0410493900000000, 0.0523610000000000, -0.0064446200000000 ] - [ 0.0412229100000000, 0.0525804800000000, -0.0065963000000000 ] - [ -0.0411069800000000, 0.0525143300000000, 0.0067368500000000 ] - [ -0.0411800000000000, 0.0525992800000000, 0.0067120000000000 ] - [ -0.0411069800000000, -0.0525143300000000, 0.0067368500000000 ] - [ -0.0411800000000000, -0.0525992800000000, 0.0067120000000000 ] - [ 0.0410493900000000, -0.0523610000000000, -0.0064446200000000 ] - [ 0.0412229100000000, -0.0525804800000000, -0.0065963000000000 ] - [ -0.0328721900000000, -0.0163375400000000, 0.0115048600000000 ] - [ -0.0293514100000000, -0.0111762400000000, 0.0072237100000000 ] - [ 0.0292091000000000, -0.0108420000000000, -0.0070235800000000 ] - [ 0.0292311100000000, -0.0108315700000000, -0.0071177400000000 ] - [ 0.0292091000000000, 0.0108420000000000, -0.0070235800000000 ] - [ 0.0292311100000000, 0.0108315700000000, -0.0071177400000000 ] - [ -0.0328721900000000, 0.0163375400000000, 0.0115048600000000 ] - [ -0.0293514100000000, 0.0111762400000000, 0.0072237100000000 ] - [ 0.0116112300000000, 0.0000000000000000, -0.0105521100000000 ] - [ 0.0117113100000000, 0.0000000000000000, -0.0106715900000000 ] - [ -0.0119958000000000, 0.0000000000000000, 0.0104968600000000 ] - [ -0.0117627600000000, 0.0000000000000000, 0.0106225200000000 ] - [ 0.0044728500000000, -0.0000294000000000, -0.0168124500000000 ] - [ 0.0044728500000000, 0.0000294000000000, -0.0168124500000000 ] - [ -0.0034160800000000, 0.0005144600000000, 0.0163772100000000 ] - [ -0.0034160800000000, -0.0005144600000000, 0.0163772100000000 ] - [ 0.0779556200000000, 0.0000000000000000, -0.1392367400000000 ] - [ 0.0187119500000000, 0.0000000000000000, -0.0045048300000000 ] - [ -0.0179357400000000, 0.0000000000000000, 0.0047763600000000 ] - [ -0.0179403300000000, 0.0000000000000000, 0.0038752100000000 ] - [ 0.0139361600000000, 0.0000000000000000, 0.0155659600000000 ] - [ 0.0138645800000000, 0.0000000000000000, 0.0152628300000000 ] - [ -0.0130921200000000, 0.0000000000000000, -0.0118792600000000 ] - [ -0.0138702700000000, 0.0000000000000000, -0.0151423500000000 ] - [ -0.0165076600000000, 0.0343601400000000, -0.0038225700000000 ] - [ -0.0151825000000000, 0.0344480300000000, -0.0035797900000000 ] - [ 0.0153877300000000, 0.0346231900000000, 0.0035956100000000 ] - [ 0.0151092400000000, 0.0343153100000000, 0.0033605500000000 ] - [ 0.0153877300000000, -0.0346231900000000, 0.0035956100000000 ] - [ 0.0151092400000000, -0.0343153100000000, 0.0033605500000000 ] - [ -0.0165076600000000, -0.0343601400000000, -0.0038225700000000 ] - [ -0.0151825000000000, -0.0344480300000000, -0.0035797900000000 ] - [ -0.0296717800000000, -0.0305791300000000, 0.0347333700000000 ] - [ -0.0295151800000000, -0.0311117000000000, 0.0344237500000000 ] - [ 0.0293209000000000, -0.0310880000000000, -0.0344456100000000 ] - [ 0.0295503300000000, -0.0309770800000000, -0.0344384100000000 ] - [ 0.0293209000000000, 0.0310880000000000, -0.0344456100000000 ] - [ 0.0295503300000000, 0.0309770800000000, -0.0344384100000000 ] - [ -0.0296717800000000, 0.0305791300000000, 0.0347333700000000 ] - [ -0.0295151800000000, 0.0311117000000000, 0.0344237500000000 ] - [ -0.0013575100000000, 0.0096217200000000, 0.0114275300000000 ] - [ -0.0005338700000000, 0.0101078800000000, 0.0121914600000000 ] - [ 0.0006611300000000, 0.0101050100000000, -0.0118899500000000 ] - [ 0.0006055100000000, 0.0100796700000000, -0.0119563900000000 ] - [ 0.0006611300000000, -0.0101050100000000, -0.0118899500000000 ] - [ 0.0006055100000000, -0.0100796700000000, -0.0119563900000000 ] - [ -0.0013575100000000, -0.0096217200000000, 0.0114275300000000 ] - [ -0.0005338700000000, -0.0101078800000000, 0.0121914600000000 ] - [ 0.0413982200000000, 0.0526689900000000, -0.0068993800000000 ] - [ 0.0412345300000000, 0.0525335600000000, -0.0067341700000000 ] - [ -0.0412804100000000, 0.0526276800000000, 0.0066369900000000 ] - [ -0.0412737500000000, 0.0524625500000000, 0.0066898500000000 ] - [ -0.0412804100000000, -0.0526276800000000, 0.0066369900000000 ] - [ -0.0412737500000000, -0.0524625500000000, 0.0066898500000000 ] - [ 0.0413982200000000, -0.0526689900000000, -0.0068993800000000 ] - [ 0.0412345300000000, -0.0525335600000000, -0.0067341700000000 ] - [ -0.0295946200000000, -0.0111165700000000, 0.0071968800000000 ] - [ -0.0292056300000000, -0.0108009600000000, 0.0071138000000000 ] - [ 0.0291526100000000, -0.0104988900000000, -0.0070947200000000 ] - [ 0.0293613300000000, -0.0107965100000000, -0.0070123700000000 ] - [ 0.0291526100000000, 0.0104988900000000, -0.0070947200000000 ] - [ 0.0293613300000000, 0.0107965100000000, -0.0070123700000000 ] - [ -0.0295946200000000, 0.0111165700000000, 0.0071968800000000 ] - [ -0.0292056300000000, 0.0108009600000000, 0.0071138000000000 ] - [ 0.0118203900000000, 0.0000071400000000, -0.0106603200000000 ] - [ 0.0118203900000000, -0.0000071400000000, -0.0106603200000000 ] - [ -0.0116560100000000, 0.0000263800000000, 0.0107547000000000 ] - [ -0.0116560100000000, -0.0000263800000000, 0.0107547000000000 ] - [ 0.0063325700000000, 0.0000000000000000, -0.0136615400000000 ] - [ 0.0044568300000000, 0.0000000000000000, -0.0170933800000000 ] - [ -0.0041766700000000, 0.0000000000000000, 0.0170545000000000 ] - [ -0.0044609700000000, 0.0000000000000000, 0.0170151700000000 ] - [ 0.0177164300000000, -0.0003420100000000, -0.0039766300000000 ] - [ 0.0177164300000000, 0.0003420100000000, -0.0039766300000000 ] - [ -0.0175796600000000, -0.0001691000000000, 0.0043602900000000 ] - [ -0.0175796600000000, 0.0001691000000000, 0.0043602900000000 ] - [ 0.0139370700000000, 0.0001039400000000, 0.0152148700000000 ] - [ 0.0139370700000000, -0.0001039400000000, 0.0152148700000000 ] - [ -0.0139979500000000, 0.0000872000000000, -0.0151071900000000 ] - [ -0.0139979500000000, -0.0000872000000000, -0.0151071900000000 ] - [ -0.0178113400000000, 0.0341782400000000, -0.0043430600000000 ] - [ -0.0156025800000000, 0.0342618600000000, -0.0033769100000000 ] - [ -0.0073152300000000, 0.0643063600000000, 0.0275061300000000 ] - [ 0.0148249000000000, 0.0345467100000000, 0.0035124100000000 ] - [ -0.0073152300000000, -0.0643063600000000, 0.0275061300000000 ] - [ 0.0148249000000000, -0.0345467100000000, 0.0035124100000000 ] - [ -0.0178113400000000, -0.0341782400000000, -0.0043430600000000 ] - [ -0.0156025800000000, -0.0342618600000000, -0.0033769100000000 ] - [ -0.0295317400000000, -0.0308626800000000, 0.0344256600000000 ] - [ -0.0295218000000000, -0.0310272400000000, 0.0345385500000000 ] - [ 0.0295847000000000, -0.0312683100000000, -0.0343455700000000 ] - [ 0.0294894900000000, -0.0310426800000000, -0.0345425400000000 ] - [ 0.0295847000000000, 0.0312683100000000, -0.0343455700000000 ] - [ 0.0294894900000000, 0.0310426800000000, -0.0345425400000000 ] - [ -0.0295317400000000, 0.0308626800000000, 0.0344256600000000 ] - [ -0.0295218000000000, 0.0310272400000000, 0.0345385500000000 ] - [ 0.0010442400000000, 0.0095075200000000, 0.0116596100000000 ] - [ -0.0006084400000000, 0.0100711800000000, 0.0119858100000000 ] - [ -0.0040489500000000, 0.0096500100000000, -0.0019880600000000 ] - [ 0.0006293900000000, 0.0100929300000000, -0.0117276600000000 ] - [ -0.0040489500000000, -0.0096500100000000, -0.0019880600000000 ] - [ 0.0006293900000000, -0.0100929300000000, -0.0117276600000000 ] - [ 0.0010442400000000, -0.0095075200000000, 0.0116596100000000 ] - [ -0.0006084400000000, -0.0100711800000000, 0.0119858100000000 ] - [ -0.0115948900000000, -0.0000165700000000, 0.0166426300000000 ] - [ -0.0115948900000000, 0.0000165700000000, 0.0166426300000000 ] - [ 0.0115204800000000, -0.0000004700000000, -0.0167274900000000 ] - [ 0.0115204800000000, 0.0000004700000000, -0.0167274900000000 ] - [ -0.0376071200000000, 0.0000000000000000, 0.0130758600000000 ] - [ -0.0377885300000000, 0.0000000000000000, 0.0131003900000000 ] - [ 0.0341267400000000, 0.0000000000000000, 0.0357561800000000 ] - [ 0.0379472500000000, 0.0000000000000000, -0.0131443200000000 ] - [ -0.0191174000000000, -0.0006856900000000, 0.0108313700000000 ] - [ -0.0191174000000000, 0.0006856900000000, 0.0108313700000000 ] - [ 0.0201683400000000, 0.0001198900000000, -0.0118894300000000 ] - [ 0.0201683400000000, -0.0001198900000000, -0.0118894300000000 ] - [ -0.0162661200000000, -0.0000487200000000, 0.0202050300000000 ] - [ -0.0162661200000000, 0.0000487200000000, 0.0202050300000000 ] - [ 0.0161835700000000, 0.0000791000000000, -0.0202053400000000 ] - [ 0.0161835700000000, -0.0000791000000000, -0.0202053400000000 ] - [ -0.0114613200000000, 0.0000000000000000, 0.0167027600000000 ] - [ -0.0115274400000000, 0.0000000000000000, 0.0167194200000000 ] - [ 0.0115533700000000, 0.0000000000000000, -0.0164726800000000 ] - [ 0.0115658600000000, 0.0000000000000000, -0.0167441000000000 ] - [ -0.0377882500000000, -0.0000523600000000, 0.0130397400000000 ] - [ -0.0377882500000000, 0.0000523600000000, 0.0130397400000000 ] - [ 0.0378201500000000, 0.0000176000000000, -0.0131511300000000 ] - [ 0.0378201500000000, -0.0000176000000000, -0.0131511300000000 ] - [ -0.0198976600000000, 0.0000000000000000, 0.0118997600000000 ] - [ -0.0199476800000000, 0.0000000000000000, 0.0119716300000000 ] - [ 0.0256842200000000, 0.0000000000000000, -0.0059745100000000 ] - [ 0.0199714000000000, 0.0000000000000000, -0.0119009500000000 ] - [ -0.0165759800000000, 0.0000000000000000, 0.0199996100000000 ] - [ -0.0161994100000000, 0.0000000000000000, 0.0202471500000000 ] - [ 0.0162024800000000, 0.0000000000000000, -0.0202969100000000 ] - [ 0.0161759700000000, 0.0000000000000000, -0.0202505500000000 ]- atom: 25 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0414507100000000, 0.0527801100000000, -0.0068383300000000 ] - [ 0.0412821400000000, 0.0525477000000000, -0.0066986500000000 ] - [ -0.0413898600000000, 0.0526064300000000, 0.0065569900000000 ] - [ -0.0413182000000000, 0.0525252800000000, 0.0065826200000000 ] - [ -0.0413898600000000, -0.0526064300000000, 0.0065569900000000 ] - [ -0.0413182000000000, -0.0525252800000000, 0.0065826200000000 ] - [ 0.0414507100000000, -0.0527801100000000, -0.0068383300000000 ] - [ 0.0412821400000000, -0.0525477000000000, -0.0066986500000000 ] - [ -0.0256765900000000, -0.0054254600000000, 0.0027788300000000 ] - [ -0.0291520500000000, -0.0104747600000000, 0.0070272200000000 ] - [ 0.0292912700000000, -0.0107976200000000, -0.0072298200000000 ] - [ 0.0292697000000000, -0.0108106800000000, -0.0071326700000000 ] - [ 0.0292912700000000, 0.0107976200000000, -0.0072298200000000 ] - [ 0.0292697000000000, 0.0108106800000000, -0.0071326700000000 ] - [ -0.0256765900000000, 0.0054254600000000, 0.0027788300000000 ] - [ -0.0291520500000000, 0.0104747600000000, 0.0070272200000000 ] - [ 0.0118124300000000, 0.0000000000000000, -0.0109277500000000 ] - [ 0.0117226700000000, 0.0000000000000000, -0.0108169900000000 ] - [ -0.0114449400000000, 0.0000000000000000, 0.0109868800000000 ] - [ -0.0116748800000000, 0.0000000000000000, 0.0108609100000000 ] - [ 0.0043557000000000, 0.0000314200000000, -0.0172695400000000 ] - [ 0.0043557000000000, -0.0000314200000000, -0.0172695400000000 ] - [ -0.0053810300000000, -0.0005076100000000, 0.0176984600000000 ] - [ -0.0053810300000000, 0.0005076100000000, 0.0176984600000000 ] - [ -0.0432291700000000, 0.0000000000000000, 0.1299572700000000 ] - [ 0.0171361500000000, 0.0000000000000000, -0.0026072400000000 ] - [ -0.0179195400000000, 0.0000000000000000, 0.0023394400000000 ] - [ -0.0179049200000000, 0.0000000000000000, 0.0032344100000000 ] - [ 0.0138948400000000, 0.0000000000000000, 0.0147441000000000 ] - [ 0.0139834100000000, 0.0000000000000000, 0.0150352500000000 ] - [ -0.0147036600000000, 0.0000000000000000, -0.0183063900000000 ] - [ -0.0139756300000000, 0.0000000000000000, -0.0151582600000000 ] - [ -0.0142787300000000, 0.0341160000000000, -0.0023101900000000 ] - [ -0.0156106500000000, 0.0340311700000000, -0.0025467900000000 ] - [ 0.0154080200000000, 0.0338571500000000, 0.0025325600000000 ] - [ 0.0156860900000000, 0.0341659300000000, 0.0027668400000000 ] - [ 0.0154080200000000, -0.0338571500000000, 0.0025325600000000 ] - [ 0.0156860900000000, -0.0341659300000000, 0.0027668400000000 ] - [ -0.0142787300000000, -0.0341160000000000, -0.0023101900000000 ] - [ -0.0156106500000000, -0.0340311700000000, -0.0025467900000000 ] - [ -0.0292689300000000, -0.0315314600000000, 0.0341457700000000 ] - [ -0.0294331200000000, -0.0310113100000000, 0.0344566800000000 ] - [ 0.0296320700000000, -0.0310354900000000, -0.0344329300000000 ] - [ 0.0293990200000000, -0.0311463700000000, -0.0344373100000000 ] - [ 0.0296320700000000, 0.0310354900000000, -0.0344329300000000 ] - [ 0.0293990200000000, 0.0311463700000000, -0.0344373100000000 ] - [ -0.0292689300000000, 0.0315314600000000, 0.0341457700000000 ] - [ -0.0294331200000000, 0.0310113100000000, 0.0344566800000000 ] - [ 0.0000713400000000, 0.0105651000000000, 0.0126747000000000 ] - [ -0.0007269900000000, 0.0100922500000000, 0.0119284000000000 ] - [ 0.0005996900000000, 0.0100973600000000, -0.0122277000000000 ] - [ 0.0006559400000000, 0.0101213100000000, -0.0121595500000000 ] - [ 0.0005996900000000, -0.0100973600000000, -0.0122277000000000 ] - [ 0.0006559400000000, -0.0101213100000000, -0.0121595500000000 ] - [ 0.0000713400000000, -0.0105651000000000, 0.0126747000000000 ] - [ -0.0007269900000000, -0.0100922500000000, 0.0119284000000000 ] - [ 0.0411084400000000, 0.0524622700000000, -0.0064034200000000 ] - [ 0.0412677500000000, 0.0525948500000000, -0.0065637900000000 ] - [ -0.0412213900000000, 0.0524935100000000, 0.0066694400000000 ] - [ -0.0412304700000000, 0.0526619300000000, 0.0066033100000000 ] - [ -0.0412213900000000, -0.0524935100000000, 0.0066694400000000 ] - [ -0.0412304700000000, -0.0526619300000000, 0.0066033100000000 ] - [ 0.0411084400000000, -0.0524622700000000, -0.0064034200000000 ] - [ 0.0412677500000000, -0.0525948500000000, -0.0065637900000000 ] - [ -0.0289125000000000, -0.0105219800000000, 0.0070557200000000 ] - [ -0.0292948200000000, -0.0108384800000000, 0.0071389000000000 ] - [ 0.0293585900000000, -0.0111377200000000, -0.0071599700000000 ] - [ 0.0291409000000000, -0.0108399500000000, -0.0072390700000000 ] - [ 0.0293585900000000, 0.0111377200000000, -0.0071599700000000 ] - [ 0.0291409000000000, 0.0108399500000000, -0.0072390700000000 ] - [ -0.0289125000000000, 0.0105219800000000, 0.0070557200000000 ] - [ -0.0292948200000000, 0.0108384800000000, 0.0071389000000000 ] - [ 0.0116187700000000, -0.0000069900000000, -0.0108184400000000 ] - [ 0.0116187700000000, 0.0000069900000000, -0.0108184400000000 ] - [ -0.0117794200000000, -0.0000207100000000, 0.0107261000000000 ] - [ -0.0117794200000000, 0.0000207100000000, 0.0107261000000000 ] - [ 0.0024969100000000, 0.0000000000000000, -0.0204294600000000 ] - [ 0.0043740700000000, 0.0000000000000000, -0.0169952200000000 ] - [ -0.0046548900000000, 0.0000000000000000, 0.0170311200000000 ] - [ -0.0043689400000000, 0.0000000000000000, 0.0170670200000000 ] - [ 0.0181334300000000, 0.0003377400000000, -0.0031306700000000 ] - [ 0.0181334300000000, -0.0003377400000000, -0.0031306700000000 ] - [ -0.0182686800000000, 0.0001679700000000, 0.0027505400000000 ] - [ -0.0182686800000000, -0.0001679700000000, 0.0027505400000000 ] - [ 0.0139058100000000, -0.0001073700000000, 0.0150832700000000 ] - [ 0.0139058100000000, 0.0001073700000000, 0.0150832700000000 ] - [ -0.0138522100000000, -0.0000871100000000, -0.0151971400000000 ] - [ -0.0138522100000000, 0.0000871100000000, -0.0151971400000000 ] - [ -0.0129915400000000, 0.0342749900000000, -0.0017955200000000 ] - [ -0.0151948600000000, 0.0342167900000000, -0.0027507800000000 ] - [ 0.0386717300000000, 0.0032951800000000, -0.0215145500000000 ] - [ 0.0159760400000000, 0.0339298200000000, 0.0026160500000000 ] - [ 0.0386717300000000, -0.0032951800000000, -0.0215145500000000 ] - [ 0.0159760400000000, -0.0339298200000000, 0.0026160500000000 ] - [ -0.0129915400000000, -0.0342749900000000, -0.0017955200000000 ] - [ -0.0151948600000000, -0.0342167900000000, -0.0027507800000000 ] - [ -0.0294206200000000, -0.0312575400000000, 0.0344577000000000 ] - [ -0.0294272800000000, -0.0310920700000000, 0.0343396900000000 ] - [ 0.0293670300000000, -0.0308527500000000, -0.0345344200000000 ] - [ 0.0294576200000000, -0.0310801600000000, -0.0343335200000000 ] - [ 0.0293670300000000, 0.0308527500000000, -0.0345344200000000 ] - [ 0.0294576200000000, 0.0310801600000000, -0.0343335200000000 ] - [ -0.0294206200000000, 0.0312575400000000, 0.0344577000000000 ] - [ -0.0294272800000000, 0.0310920700000000, 0.0343396900000000 ] - [ -0.0023127100000000, 0.0107111600000000, 0.0124384600000000 ] - [ -0.0006515300000000, 0.0101298400000000, 0.0121301400000000 ] - [ 0.0054088300000000, 0.0105082700000000, -0.0223006000000000 ] - [ 0.0006305300000000, 0.0101118800000000, -0.0123888200000000 ] - [ 0.0054088300000000, -0.0105082700000000, -0.0223006000000000 ] - [ 0.0006305300000000, -0.0101118800000000, -0.0123888200000000 ] - [ -0.0023127100000000, -0.0107111600000000, 0.0124384600000000 ] - [ -0.0006515300000000, -0.0101298400000000, 0.0121301400000000 ] - [ -0.0114842900000000, 0.0000174300000000, 0.0167409800000000 ] - [ -0.0114842900000000, -0.0000174300000000, 0.0167409800000000 ] - [ 0.0115576200000000, -0.0000002700000000, -0.0166600700000000 ] - [ 0.0115576200000000, 0.0000002700000000, -0.0166600700000000 ] - [ -0.0379093300000000, 0.0000000000000000, 0.0130492000000000 ] - [ -0.0377214400000000, 0.0000000000000000, 0.0130245100000000 ] - [ 0.0412108300000000, 0.0000000000000000, -0.0593053300000000 ] - [ 0.0375666200000000, 0.0000000000000000, -0.0129813100000000 ] - [ -0.0207314600000000, 0.0006708800000000, 0.0131860100000000 ] - [ -0.0207314600000000, -0.0006708800000000, 0.0131860100000000 ] - [ 0.0196670300000000, -0.0001209000000000, -0.0121323900000000 ] - [ 0.0196670300000000, 0.0001209000000000, -0.0121323900000000 ] - [ -0.0161596400000000, 0.0000504800000000, 0.0202026900000000 ] - [ -0.0161596400000000, -0.0000504800000000, 0.0202026900000000 ] - [ 0.0162412600000000, -0.0000764200000000, -0.0202030000000000 ] - [ 0.0162412600000000, 0.0000764200000000, -0.0202030000000000 ] - [ -0.0116157100000000, 0.0000000000000000, 0.0166887000000000 ] - [ -0.0115529500000000, 0.0000000000000000, 0.0166698200000000 ] - [ 0.0115234400000000, 0.0000000000000000, -0.0169232500000000 ] - [ 0.0115123500000000, 0.0000000000000000, -0.0166437800000000 ] - [ -0.0377187300000000, 0.0000546300000000, 0.0130853100000000 ] - [ -0.0377187300000000, -0.0000546300000000, 0.0130853100000000 ] - [ 0.0376910600000000, -0.0000179700000000, -0.0129761800000000 ] - [ 0.0376910600000000, 0.0000179700000000, -0.0129761800000000 ] - [ -0.0199310300000000, 0.0000000000000000, 0.0121208900000000 ] - [ -0.0198807100000000, 0.0000000000000000, 0.0120492700000000 ] - [ 0.0141691600000000, 0.0000000000000000, -0.0179170100000000 ] - [ 0.0198582700000000, 0.0000000000000000, -0.0121202500000000 ] - [ -0.0158483700000000, 0.0000000000000000, 0.0204057300000000 ] - [ -0.0162263600000000, 0.0000000000000000, 0.0201613300000000 ] - [ 0.0162208100000000, 0.0000000000000000, -0.0201112700000000 ] - [ 0.0162489300000000, 0.0000000000000000, -0.0201574900000000 ]- atom: 29 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0407255000000000, 0.0531126400000000, -0.0065278200000000 ] - [ 0.0410594200000000, 0.0525619700000000, -0.0067630500000000 ] - [ -0.0350994900000000, 0.0453093900000000, 0.0058739400000000 ] - [ -0.0405492900000000, 0.0518883000000000, 0.0065839300000000 ] - [ -0.0350994900000000, -0.0453093900000000, 0.0058739400000000 ] - [ -0.0405492900000000, -0.0518883000000000, 0.0065839300000000 ] - [ 0.0407255000000000, -0.0531126400000000, -0.0065278200000000 ] - [ 0.0410594200000000, -0.0525619700000000, -0.0067630500000000 ] - [ -0.0285290900000000, -0.0111555900000000, 0.0076224200000000 ] - [ -0.0290383700000000, -0.0108120000000000, 0.0071473100000000 ] - [ 0.0324022300000000, -0.0128672900000000, -0.0058240400000000 ] - [ 0.0294122700000000, -0.0108127500000000, -0.0071561500000000 ] - [ 0.0324022300000000, 0.0128672900000000, -0.0058240400000000 ] - [ 0.0294122700000000, 0.0108127500000000, -0.0071561500000000 ] - [ -0.0285290900000000, 0.0111555900000000, 0.0076224200000000 ] - [ -0.0290383700000000, 0.0108120000000000, 0.0071473100000000 ] - [ 0.0133663900000000, 0.0000000000000000, -0.0067896500000000 ] - [ 0.0118063500000000, 0.0000000000000000, -0.0106355500000000 ] - [ -0.0132373200000000, 0.0000000000000000, 0.0104309500000000 ] - [ -0.0120328700000000, 0.0000000000000000, 0.0107964100000000 ] - [ 0.0044760900000000, -0.0000138300000000, -0.0166177700000000 ] - [ 0.0044760900000000, 0.0000138300000000, -0.0166177700000000 ] - [ -0.0045926200000000, 0.0000162600000000, 0.0167121700000000 ] - [ -0.0045926200000000, -0.0000162600000000, 0.0167121700000000 ] - [ 0.0181501900000000, 0.0000000000000000, -0.0034483600000000 ] - [ 0.0179579100000000, 0.0000000000000000, -0.0035997200000000 ] - [ -0.0174719600000000, 0.0000000000000000, 0.0045407000000000 ] - [ -0.0178843500000000, 0.0000000000000000, 0.0036154200000000 ] - [ -0.1042633500000000, 0.0000000000000000, 0.0157674100000000 ] - [ 0.0129660000000000, 0.0000000000000000, 0.0159744600000000 ] - [ -0.0134023800000000, 0.0000000000000000, -0.0147210400000000 ] - [ -0.0138408200000000, 0.0000000000000000, -0.0150135600000000 ] - [ -0.0153372300000000, 0.0341896000000000, -0.0030805400000000 ] - [ -0.0154254600000000, 0.0343126800000000, -0.0030223100000000 ] - [ 0.0152864400000000, 0.0343428100000000, 0.0030468600000000 ] - [ 0.0154777900000000, 0.0341510300000000, 0.0029115400000000 ] - [ 0.0152864400000000, -0.0343428100000000, 0.0030468600000000 ] - [ 0.0154777900000000, -0.0341510300000000, 0.0029115400000000 ] - [ -0.0153372300000000, -0.0341896000000000, -0.0030805400000000 ] - [ -0.0154254600000000, -0.0343126800000000, -0.0030223100000000 ] - [ -0.0303855700000000, -0.0316621500000000, 0.0314636900000000 ] - [ -0.0296028000000000, -0.0310312700000000, 0.0342704700000000 ] - [ 0.0516884100000000, -0.0094006000000000, -0.0479787300000000 ] - [ 0.0301970800000000, -0.0306457800000000, -0.0350656800000000 ] - [ 0.0516884100000000, 0.0094006000000000, -0.0479787300000000 ] - [ 0.0301970800000000, 0.0306457800000000, -0.0350656800000000 ] - [ -0.0303855700000000, 0.0316621500000000, 0.0314636900000000 ] - [ -0.0296028000000000, 0.0310312700000000, 0.0342704700000000 ] - [ -0.0007868900000000, 0.0101527200000000, 0.0120979700000000 ] - [ -0.0006197300000000, 0.0101526900000000, 0.0121881100000000 ] - [ 0.0005728200000000, 0.0107399300000000, -0.0125208500000000 ] - [ 0.0009334300000000, 0.0100386300000000, -0.0118263000000000 ] - [ 0.0005728200000000, -0.0107399300000000, -0.0125208500000000 ] - [ 0.0009334300000000, -0.0100386300000000, -0.0118263000000000 ] - [ -0.0007868900000000, -0.0101527200000000, 0.0120979700000000 ] - [ -0.0006197300000000, -0.0101526900000000, 0.0121881100000000 ] - [ 0.0413150200000000, 0.0526802900000000, -0.0066950900000000 ] - [ 0.0411911300000000, 0.0526656400000000, -0.0067473800000000 ] - [ -0.0359793600000000, 0.0497559500000000, 0.0074032200000000 ] - [ -0.0408162800000000, 0.0522062500000000, 0.0065378600000000 ] - [ -0.0359793600000000, -0.0497559500000000, 0.0074032200000000 ] - [ -0.0408162800000000, -0.0522062500000000, 0.0065378600000000 ] - [ 0.0413150200000000, -0.0526802900000000, -0.0066950900000000 ] - [ 0.0411911300000000, -0.0526656400000000, -0.0067473800000000 ] - [ -0.0292160900000000, -0.0107807800000000, 0.0072469700000000 ] - [ -0.0292191300000000, -0.0108610000000000, 0.0071421800000000 ] - [ 0.0289976800000000, -0.0101698700000000, -0.0067998400000000 ] - [ 0.0293253400000000, -0.0107037900000000, -0.0071662700000000 ] - [ 0.0289976800000000, 0.0101698700000000, -0.0067998400000000 ] - [ 0.0293253400000000, 0.0107037900000000, -0.0071662700000000 ] - [ -0.0292160900000000, 0.0107807800000000, 0.0072469700000000 ] - [ -0.0292191300000000, 0.0108610000000000, 0.0071421800000000 ] - [ 0.0119818000000000, -0.0001252200000000, -0.0103138800000000 ] - [ 0.0119818000000000, 0.0001252200000000, -0.0103138800000000 ] - [ -0.0132973500000000, -0.0002019300000000, 0.0109798200000000 ] - [ -0.0132973500000000, 0.0002019300000000, 0.0109798200000000 ] - [ 0.0047922500000000, 0.0000000000000000, -0.0170541600000000 ] - [ 0.0046370700000000, 0.0000000000000000, -0.0170971800000000 ] - [ -0.0043779300000000, 0.0000000000000000, 0.0169681400000000 ] - [ -0.0043985900000000, 0.0000000000000000, 0.0169491100000000 ] - [ 0.0179756300000000, 0.0000407300000000, -0.0035142200000000 ] - [ 0.0179756300000000, -0.0000407300000000, -0.0035142200000000 ] - [ -0.0178591400000000, -0.0000728700000000, 0.0034944200000000 ] - [ -0.0178591400000000, 0.0000728700000000, 0.0034944200000000 ] - [ 0.0143119900000000, -0.0006147100000000, 0.0150634700000000 ] - [ 0.0143119900000000, 0.0006147100000000, 0.0150634700000000 ] - [ -0.0138788700000000, 0.0000574700000000, -0.0151627300000000 ] - [ -0.0138788700000000, -0.0000574700000000, -0.0151627300000000 ] - [ -0.0159943700000000, 0.0338066900000000, -0.0030536700000000 ] - [ -0.0155140700000000, 0.0343370100000000, -0.0030802700000000 ] - [ 0.0152964100000000, 0.0346298100000000, 0.0025585700000000 ] - [ 0.0153127500000000, 0.0341325300000000, 0.0030089800000000 ] - [ 0.0152964100000000, -0.0346298100000000, 0.0025585700000000 ] - [ 0.0153127500000000, -0.0341325300000000, 0.0030089800000000 ] - [ -0.0159943700000000, -0.0338066900000000, -0.0030536700000000 ] - [ -0.0155140700000000, -0.0343370100000000, -0.0030802700000000 ] - [ -0.0296011900000000, -0.0310034100000000, 0.0345377500000000 ] - [ -0.0295320800000000, -0.0310342100000000, 0.0344828200000000 ] - [ 0.0294330500000000, -0.0308637500000000, -0.0347269800000000 ] - [ 0.0297802300000000, -0.0314129100000000, -0.0341985200000000 ] - [ 0.0294330500000000, 0.0308637500000000, -0.0347269800000000 ] - [ 0.0297802300000000, 0.0314129100000000, -0.0341985200000000 ] - [ -0.0296011900000000, 0.0310034100000000, 0.0345377500000000 ] - [ -0.0295320800000000, 0.0310342100000000, 0.0344828200000000 ] - [ -0.0002802800000000, 0.0099505600000000, 0.0117538000000000 ] - [ -0.0006117900000000, 0.0100605400000000, 0.0120546800000000 ] - [ 0.0015172900000000, 0.0107594300000000, -0.0136307100000000 ] - [ 0.0005966300000000, 0.0101375400000000, -0.0121155000000000 ] - [ 0.0015172900000000, -0.0107594300000000, -0.0136307100000000 ] - [ 0.0005966300000000, -0.0101375400000000, -0.0121155000000000 ] - [ -0.0002802800000000, -0.0099505600000000, 0.0117538000000000 ] - [ -0.0006117900000000, -0.0100605400000000, 0.0120546800000000 ] - [ -0.0114297200000000, -0.0001138300000000, 0.0167202400000000 ] - [ -0.0114297200000000, 0.0001138300000000, 0.0167202400000000 ] - [ 0.0113007000000000, 0.0005286300000000, -0.0160545700000000 ] - [ 0.0113007000000000, -0.0005286300000000, -0.0160545700000000 ] - [ -0.0274411000000000, 0.0000000000000000, 0.0224764500000000 ] - [ -0.0377441000000000, 0.0000000000000000, 0.0130447700000000 ] - [ 0.0375333700000000, 0.0000000000000000, -0.0129902100000000 ] - [ 0.0377241000000000, 0.0000000000000000, -0.0130621700000000 ] - [ -0.0197850100000000, -0.0001835100000000, 0.0120814000000000 ] - [ -0.0197850100000000, 0.0001835100000000, 0.0120814000000000 ] - [ 0.0199490500000000, 0.0000617300000000, -0.0119308500000000 ] - [ 0.0199490500000000, -0.0000617300000000, -0.0119308500000000 ] - [ -0.0169359500000000, 0.0009638300000000, 0.0210788300000000 ] - [ -0.0169359500000000, -0.0009638300000000, 0.0210788300000000 ] - [ 0.0161989100000000, -0.0001893400000000, -0.0200292700000000 ] - [ 0.0161989100000000, 0.0001893400000000, -0.0200292700000000 ] - [ -0.0114361000000000, 0.0000000000000000, 0.0167197000000000 ] - [ -0.0115324100000000, 0.0000000000000000, 0.0167211100000000 ] - [ 0.0451424400000000, 0.0000000000000000, -0.0020901400000000 ] - [ 0.0115267300000000, 0.0000000000000000, -0.0166526500000000 ] - [ -0.0377311900000000, 0.0000775900000000, 0.0130989200000000 ] - [ -0.0377311900000000, -0.0000775900000000, 0.0130989200000000 ] - [ 0.0377725100000000, 0.0000005500000000, -0.0130493800000000 ] - [ 0.0377725100000000, -0.0000005500000000, -0.0130493800000000 ] - [ -0.0198873900000000, 0.0000000000000000, 0.0120150200000000 ] - [ -0.0199269100000000, 0.0000000000000000, 0.0120108400000000 ] - [ 0.0199022700000000, 0.0000000000000000, -0.0120437000000000 ] - [ 0.0199047400000000, 0.0000000000000000, -0.0119961300000000 ] - [ -0.0163287200000000, 0.0000000000000000, 0.0202308600000000 ] - [ -0.0162064600000000, 0.0000000000000000, 0.0201452400000000 ] - [ 0.0161793900000000, 0.0000000000000000, -0.0200340100000000 ] - [ 0.0161451700000000, 0.0000000000000000, -0.0201983300000000 ]- atom: 29 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0417815100000000, 0.0519993800000000, -0.0067633100000000 ] - [ 0.0414434500000000, 0.0525594100000000, -0.0065303700000000 ] - [ -0.0473022900000000, 0.0596996600000000, 0.0073725700000000 ] - [ -0.0419450600000000, 0.0532222600000000, 0.0067093500000000 ] - [ -0.0473022900000000, -0.0596996600000000, 0.0073725700000000 ] - [ -0.0419450600000000, -0.0532222600000000, 0.0067093500000000 ] - [ 0.0417815100000000, -0.0519993800000000, -0.0067633100000000 ] - [ 0.0414434500000000, -0.0525594100000000, -0.0065303700000000 ] - [ -0.0299796100000000, -0.0104743100000000, 0.0066248200000000 ] - [ -0.0294629300000000, -0.0108276500000000, 0.0071047900000000 ] - [ 0.0261088100000000, -0.0088056200000000, -0.0084298400000000 ] - [ 0.0290861300000000, -0.0108272400000000, -0.0070980500000000 ] - [ 0.0261088100000000, 0.0088056200000000, -0.0084298400000000 ] - [ 0.0290861300000000, 0.0108272400000000, -0.0070980500000000 ] - [ -0.0299796100000000, 0.0104743100000000, 0.0066248200000000 ] - [ -0.0294629300000000, 0.0108276500000000, 0.0071047900000000 ] - [ 0.0100467600000000, 0.0000000000000000, -0.0147904000000000 ] - [ 0.0116181800000000, 0.0000000000000000, -0.0108505600000000 ] - [ -0.0101977600000000, 0.0000000000000000, 0.0110642600000000 ] - [ -0.0113983700000000, 0.0000000000000000, 0.0106881300000000 ] - [ 0.0043497200000000, 0.0000123800000000, -0.0174727400000000 ] - [ 0.0043497200000000, -0.0000123800000000, -0.0174727400000000 ] - [ -0.0042349900000000, -0.0000191800000000, 0.0173849100000000 ] - [ -0.0042349900000000, 0.0000191800000000, 0.0173849100000000 ] - [ 0.0176981800000000, 0.0000000000000000, -0.0036451800000000 ] - [ 0.0178901800000000, 0.0000000000000000, -0.0035013600000000 ] - [ -0.0184017200000000, 0.0000000000000000, 0.0025472600000000 ] - [ -0.0179623400000000, 0.0000000000000000, 0.0034853500000000 ] - [ 0.1334778200000000, 0.0000000000000000, 0.0157165000000000 ] - [ 0.0148957600000000, 0.0000000000000000, 0.0143260700000000 ] - [ -0.0144479400000000, 0.0000000000000000, -0.0155886300000000 ] - [ -0.0140087300000000, 0.0000000000000000, -0.0152920700000000 ] - [ -0.0154622100000000, 0.0342933300000000, -0.0030434700000000 ] - [ -0.0153748700000000, 0.0341682700000000, -0.0031051000000000 ] - [ 0.0155124700000000, 0.0341436100000000, 0.0030754300000000 ] - [ 0.0153219400000000, 0.0343282400000000, 0.0032104400000000 ] - [ 0.0155124700000000, -0.0341436100000000, 0.0030754300000000 ] - [ 0.0153219400000000, -0.0343282400000000, 0.0032104400000000 ] - [ -0.0154622100000000, -0.0342933300000000, -0.0030434700000000 ] - [ -0.0153748700000000, -0.0341682700000000, -0.0031051000000000 ] - [ -0.0285342000000000, -0.0304271700000000, 0.0374390300000000 ] - [ -0.0293410000000000, -0.0310841200000000, 0.0346056800000000 ] - [ 0.0071959800000000, -0.0523381700000000, -0.0211651600000000 ] - [ 0.0287446200000000, -0.0314661200000000, -0.0338036700000000 ] - [ 0.0071959800000000, 0.0523381700000000, -0.0211651600000000 ] - [ 0.0287446200000000, 0.0314661200000000, -0.0338036700000000 ] - [ -0.0285342000000000, 0.0304271700000000, 0.0374390300000000 ] - [ -0.0293410000000000, 0.0310841200000000, 0.0346056800000000 ] - [ -0.0004724700000000, 0.0100518400000000, 0.0120203800000000 ] - [ -0.0006425600000000, 0.0100506500000000, 0.0119280400000000 ] - [ 0.0006927300000000, 0.0094658000000000, -0.0115988000000000 ] - [ 0.0003282700000000, 0.0101608600000000, -0.0122881200000000 ] - [ 0.0006927300000000, -0.0094658000000000, -0.0115988000000000 ] - [ 0.0003282700000000, -0.0101608600000000, -0.0122881200000000 ] - [ -0.0004724700000000, -0.0100518400000000, 0.0120203800000000 ] - [ -0.0006425600000000, -0.0100506500000000, 0.0119280400000000 ] - [ 0.0411811300000000, 0.0524429700000000, -0.0066002600000000 ] - [ 0.0413083800000000, 0.0524594800000000, -0.0065488100000000 ] - [ -0.0466026400000000, 0.0554529800000000, 0.0059107200000000 ] - [ -0.0416889100000000, 0.0529196100000000, 0.0067618600000000 ] - [ -0.0466026400000000, -0.0554529800000000, 0.0059107200000000 ] - [ -0.0416889100000000, -0.0529196100000000, 0.0067618600000000 ] - [ 0.0411811300000000, -0.0524429700000000, -0.0066002600000000 ] - [ 0.0413083800000000, -0.0524594800000000, -0.0065488100000000 ] - [ -0.0292808000000000, -0.0108531200000000, 0.0070044100000000 ] - [ -0.0292769000000000, -0.0107775700000000, 0.0071095900000000 ] - [ 0.0295087900000000, -0.0114844000000000, -0.0074537700000000 ] - [ 0.0291737100000000, -0.0109366500000000, -0.0070860500000000 ] - [ 0.0295087900000000, 0.0114844000000000, -0.0074537700000000 ] - [ 0.0291737100000000, 0.0109366500000000, -0.0070860500000000 ] - [ -0.0292808000000000, 0.0108531200000000, 0.0070044100000000 ] - [ -0.0292769000000000, 0.0107775700000000, 0.0071095900000000 ] - [ 0.0114436500000000, 0.0001283700000000, -0.0111565900000000 ] - [ 0.0114436500000000, -0.0001283700000000, -0.0111565900000000 ] - [ -0.0101041600000000, 0.0002078900000000, 0.0104866700000000 ] - [ -0.0101041600000000, -0.0002078900000000, 0.0104866700000000 ] - [ 0.0040248800000000, 0.0000000000000000, -0.0170392400000000 ] - [ 0.0041874500000000, 0.0000000000000000, -0.0169956700000000 ] - [ -0.0044500400000000, 0.0000000000000000, 0.0171204400000000 ] - [ -0.0044270700000000, 0.0000000000000000, 0.0171408900000000 ] - [ 0.0178714800000000, -0.0000400400000000, -0.0035842200000000 ] - [ 0.0178714800000000, 0.0000400400000000, -0.0035842200000000 ] - [ -0.0179874000000000, 0.0000750600000000, 0.0036096000000000 ] - [ -0.0179874000000000, -0.0000750600000000, 0.0036096000000000 ] - [ 0.0135349600000000, 0.0006042400000000, 0.0152391800000000 ] - [ 0.0135349600000000, -0.0006042400000000, 0.0152391800000000 ] - [ -0.0139665300000000, -0.0000568300000000, -0.0151449200000000 ] - [ -0.0139665300000000, 0.0000568300000000, -0.0151449200000000 ] - [ -0.0148025000000000, 0.0346656200000000, -0.0030719600000000 ] - [ -0.0152827800000000, 0.0341433400000000, -0.0030448000000000 ] - [ 0.0154870000000000, 0.0338493900000000, 0.0035819700000000 ] - [ 0.0154866500000000, 0.0343496200000000, 0.0031174900000000 ] - [ 0.0154870000000000, -0.0338493900000000, 0.0035819700000000 ] - [ 0.0154866500000000, -0.0343496200000000, 0.0031174900000000 ] - [ -0.0148025000000000, -0.0346656200000000, -0.0030719600000000 ] - [ -0.0152827800000000, -0.0341433400000000, -0.0030448000000000 ] - [ -0.0293427600000000, -0.0311131700000000, 0.0343307400000000 ] - [ -0.0294133100000000, -0.0310787200000000, 0.0343895300000000 ] - [ 0.0294944900000000, -0.0312480900000000, -0.0341491100000000 ] - [ 0.0291645300000000, -0.0307041900000000, -0.0346726400000000 ] - [ 0.0294944900000000, 0.0312480900000000, -0.0341491100000000 ] - [ 0.0291645300000000, 0.0307041900000000, -0.0346726400000000 ] - [ -0.0293427600000000, 0.0311131700000000, 0.0343307400000000 ] - [ -0.0294133100000000, 0.0310787200000000, 0.0343895300000000 ] - [ -0.0009827300000000, 0.0102522200000000, 0.0123651800000000 ] - [ -0.0006491600000000, 0.0101417900000000, 0.0120632400000000 ] - [ -0.0002257500000000, 0.0094448400000000, -0.0104855400000000 ] - [ 0.0006650200000000, 0.0100636900000000, -0.0120017600000000 ] - [ -0.0002257500000000, -0.0094448400000000, -0.0104855400000000 ] - [ 0.0006650200000000, -0.0100636900000000, -0.0120017600000000 ] - [ -0.0009827300000000, -0.0102522200000000, 0.0123651800000000 ] - [ -0.0006491600000000, -0.0101417900000000, 0.0120632400000000 ] - [ -0.0116420700000000, 0.0001167900000000, 0.0166675300000000 ] - [ -0.0116420700000000, -0.0001167900000000, 0.0166675300000000 ] - [ 0.0117822700000000, -0.0005238900000000, -0.0173222800000000 ] - [ 0.0117822700000000, 0.0005238900000000, -0.0173222800000000 ] - [ -0.0478967600000000, 0.0000000000000000, 0.0040350000000000 ] - [ -0.0377635600000000, 0.0000000000000000, 0.0130848700000000 ] - [ 0.0379735500000000, 0.0000000000000000, -0.0131357100000000 ] - [ 0.0377820100000000, 0.0000000000000000, -0.0130660900000000 ] - [ -0.0200468600000000, 0.0001860100000000, 0.0119378800000000 ] - [ -0.0200468600000000, -0.0001860100000000, 0.0119378800000000 ] - [ 0.0198805600000000, -0.0000615100000000, -0.0120892700000000 ] - [ 0.0198805600000000, 0.0000615100000000, -0.0120892700000000 ] - [ -0.0154776100000000, -0.0009787300000000, 0.0193327700000000 ] - [ -0.0154776100000000, 0.0009787300000000, 0.0193327700000000 ] - [ 0.0162263600000000, 0.0001916700000000, -0.0203783600000000 ] - [ 0.0162263600000000, -0.0001916700000000, -0.0203783600000000 ] - [ -0.0116352400000000, 0.0000000000000000, 0.0166693300000000 ] - [ -0.0115384900000000, 0.0000000000000000, 0.0166676500000000 ] - [ -0.0236600100000000, 0.0000000000000000, -0.0322629200000000 ] - [ 0.0115477200000000, 0.0000000000000000, -0.0167366200000000 ] - [ -0.0377748400000000, -0.0000777800000000, 0.0130273500000000 ] - [ -0.0377748400000000, 0.0000777800000000, 0.0130273500000000 ] - [ 0.0377348500000000, -0.0000005900000000, -0.0130797900000000 ] - [ 0.0377348500000000, 0.0000005900000000, -0.0130797900000000 ] - [ -0.0199375500000000, 0.0000000000000000, 0.0120003500000000 ] - [ -0.0199006800000000, 0.0000000000000000, 0.0120079000000000 ] - [ 0.0199275000000000, 0.0000000000000000, -0.0119744500000000 ] - [ 0.0199259000000000, 0.0000000000000000, -0.0120232300000000 ] - [ -0.0160936500000000, 0.0000000000000000, 0.0201749900000000 ] - [ -0.0162159800000000, 0.0000000000000000, 0.0202588000000000 ] - [ 0.0162441700000000, 0.0000000000000000, -0.0203668600000000 ] - [ 0.0162767400000000, 0.0000000000000000, -0.0202035800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0413983300000000, 0.0527772400000000, -0.0067463200000000 ] - [ 0.0413631800000000, 0.0525013900000000, -0.0067289900000000 ] - [ -0.0458823600000000, 0.0521645700000000, 0.0056030600000000 ] - [ -0.0413190800000000, 0.0523839500000000, 0.0067273200000000 ] - [ -0.0366038900000000, -0.0528924900000000, 0.0076700800000000 ] - [ -0.0411866600000000, -0.0527344800000000, 0.0065715100000000 ] - [ 0.0411205200000000, -0.0523586800000000, -0.0065544800000000 ] - [ 0.0411403600000000, -0.0526296400000000, -0.0065670800000000 ] - [ -0.0295174300000000, -0.0107485300000000, 0.0070746400000000 ] - [ -0.0293600500000000, -0.0108365200000000, 0.0071827400000000 ] - [ 0.0257541600000000, -0.0099756600000000, -0.0098867200000000 ] - [ 0.0294089000000000, -0.0109935900000000, -0.0072176700000000 ] - [ 0.0327680600000000, 0.0116675700000000, -0.0043874000000000 ] - [ 0.0290944900000000, 0.0106552100000000, -0.0070359000000000 ] - [ -0.0289923200000000, 0.0109007600000000, 0.0071819300000000 ] - [ -0.0291457200000000, 0.0108111200000000, 0.0070683700000000 ] - [ 0.0117285800000000, -0.0005603200000000, -0.0107357100000000 ] - [ 0.0117239500000000, 0.0001291200000000, -0.0107415600000000 ] - [ -0.0117294600000000, 0.0012767000000000, 0.0107462500000000 ] - [ -0.0117255200000000, -0.0006202700000000, 0.0107413100000000 ] - [ 0.0047483700000000, 0.0003647300000000, -0.0170886900000000 ] - [ 0.0040912400000000, 0.0003705800000000, -0.0169819600000000 ] - [ -0.0047228500000000, -0.0000173600000000, 0.0171029500000000 ] - [ -0.0041141300000000, -0.0000166100000000, 0.0169718700000000 ] - [ 0.0179257100000000, 0.0003839700000000, -0.0035569700000000 ] - [ 0.0179247300000000, -0.0000202100000000, -0.0035570900000000 ] - [ -0.0179369700000000, -0.0001802100000000, 0.0035528700000000 ] - [ -0.0179249800000000, 0.0000134000000000, 0.0035572700000000 ] - [ 0.0124914600000000, -0.1388714800000000, 0.0165486000000000 ] - [ 0.0139206000000000, 0.0005674400000000, 0.0151531400000000 ] - [ -0.0139278600000000, 0.0026187000000000, -0.0151429100000000 ] - [ -0.0139220400000000, -0.0007071000000000, -0.0151475100000000 ] - [ -0.0154825800000000, 0.0342609200000000, -0.0030901100000000 ] - [ -0.0153220600000000, 0.0341545100000000, -0.0030001200000000 ] - [ 0.0151905500000000, 0.0343988900000000, 0.0029231900000000 ] - [ 0.0152649500000000, 0.0342432900000000, 0.0032606100000000 ] - [ 0.0156106400000000, -0.0340876700000000, 0.0031995400000000 ] - [ 0.0155348700000000, -0.0342406600000000, 0.0028615900000000 ] - [ -0.0153190400000000, -0.0342219600000000, -0.0030343700000000 ] - [ -0.0154774900000000, -0.0343280200000000, -0.0031250500000000 ] - [ -0.0289950500000000, -0.0333608400000000, 0.0288192700000000 ] - [ -0.0294197700000000, -0.0310384600000000, 0.0346541600000000 ] - [ 0.0534712100000000, 0.0289825000000000, -0.0596857400000000 ] - [ 0.0297495900000000, -0.0306087500000000, -0.0349596100000000 ] - [ 0.0067883500000000, 0.0890302800000000, -0.0105498000000000 ] - [ 0.0292174100000000, 0.0315180400000000, -0.0339386100000000 ] - [ -0.0299357000000000, 0.0286822200000000, 0.0400388600000000 ] - [ -0.0295337700000000, 0.0310798500000000, 0.0342317300000000 ] - [ -0.0007033300000000, 0.0101033700000000, 0.0120334900000000 ] - [ -0.0005619200000000, 0.0101396500000000, 0.0119944500000000 ] - [ 0.0001523100000000, 0.0108020400000000, -0.0127656500000000 ] - [ 0.0002441800000000, 0.0104282700000000, -0.0122896000000000 ] - [ 0.0010962000000000, -0.0093929100000000, -0.0113597700000000 ] - [ 0.0010174500000000, -0.0097657700000000, -0.0118256200000000 ] - [ -0.0005508900000000, -0.0100971800000000, 0.0120828900000000 ] - [ -0.0006970800000000, -0.0100604300000000, 0.0121227400000000 ] - [ 0.0413627600000000, 0.0525779100000000, -0.0066546300000000 ] - [ 0.0411817900000000, 0.0523921700000000, -0.0065704600000000 ] - [ -0.0461600000000000, 0.0534124800000000, 0.0050660400000000 ] - [ -0.0414034200000000, 0.0525577900000000, 0.0064880700000000 ] - [ -0.0363348800000000, -0.0517162500000000, 0.0082420500000000 ] - [ -0.0410935600000000, -0.0525692900000000, 0.0068078600000000 ] - [ 0.0411385400000000, -0.0525516500000000, -0.0066410700000000 ] - [ 0.0413211200000000, -0.0527352200000000, -0.0067259800000000 ] - [ -0.0292600700000000, -0.0108314900000000, 0.0071145200000000 ] - [ -0.0292459100000000, -0.0108118700000000, 0.0070853800000000 ] - [ 0.0294046700000000, -0.0107548200000000, -0.0074475500000000 ] - [ 0.0292136500000000, -0.0108039200000000, -0.0071140500000000 ] - [ 0.0291026700000000, 0.0108859500000000, -0.0068054100000000 ] - [ 0.0292948700000000, 0.0108405600000000, -0.0071383100000000 ] - [ -0.0292471400000000, 0.0108130000000000, 0.0071389900000000 ] - [ -0.0292616200000000, 0.0108344700000000, 0.0071678800000000 ] - [ 0.0116259000000000, 0.0002697100000000, -0.0106993500000000 ] - [ 0.0118113100000000, 0.0002625400000000, -0.0107780200000000 ] - [ -0.0119146900000000, -0.0001973800000000, 0.0106598300000000 ] - [ -0.0115445200000000, -0.0001922600000000, 0.0108219700000000 ] - [ 0.0044167800000000, 0.0000425100000000, -0.0170381000000000 ] - [ 0.0044161600000000, 0.0000127800000000, -0.0170400700000000 ] - [ -0.0044164300000000, 0.0000400300000000, 0.0170389800000000 ] - [ -0.0044160200000000, 0.0001153100000000, 0.0170383900000000 ] - [ 0.0178743400000000, -0.0000378500000000, -0.0036829300000000 ] - [ 0.0179760200000000, -0.0000387100000000, -0.0034298700000000 ] - [ -0.0180195900000000, 0.0000686400000000, 0.0036188000000000 ] - [ -0.0178314000000000, 0.0000677200000000, 0.0034956000000000 ] - [ 0.0145333800000000, 0.0005624400000000, 0.0154434500000000 ] - [ 0.0133154700000000, 0.0005656300000000, 0.0148539800000000 ] - [ -0.0138646400000000, -0.0000553500000000, -0.0151546000000000 ] - [ -0.0139794000000000, -0.0000547300000000, -0.0151371300000000 ] - [ -0.0153813900000000, 0.0343361500000000, -0.0030074000000000 ] - [ -0.0154161500000000, 0.0342430900000000, -0.0029564600000000 ] - [ 0.0159736300000000, 0.0343158200000000, 0.0025750400000000 ] - [ 0.0153643700000000, 0.0342737600000000, 0.0029831900000000 ] - [ 0.0148233900000000, -0.0341722200000000, 0.0035489000000000 ] - [ 0.0154358100000000, -0.0342070800000000, 0.0031419400000000 ] - [ -0.0154181200000000, -0.0341460300000000, -0.0031145800000000 ] - [ -0.0153836600000000, -0.0342386400000000, -0.0031670500000000 ] - [ -0.0294304700000000, -0.0309634600000000, 0.0343302500000000 ] - [ -0.0294569600000000, -0.0309871700000000, 0.0344589100000000 ] - [ 0.0286678400000000, -0.0299165700000000, -0.0354056800000000 ] - [ 0.0294643800000000, -0.0315204200000000, -0.0342849800000000 ] - [ 0.0302840100000000, 0.0322101300000000, -0.0334799500000000 ] - [ 0.0294874600000000, 0.0306128500000000, -0.0345957800000000 ] - [ -0.0295241800000000, 0.0311649100000000, 0.0345501400000000 ] - [ -0.0294951800000000, 0.0311409500000000, 0.0344224100000000 ] - [ -0.0006178000000000, 0.0101719200000000, 0.0120606100000000 ] - [ -0.0005771200000000, 0.0101356300000000, 0.0119782600000000 ] - [ 0.0014124800000000, 0.0108037300000000, -0.0132502500000000 ] - [ 0.0005736500000000, 0.0101657500000000, -0.0121076300000000 ] - [ -0.0001519000000000, -0.0093942600000000, -0.0108622500000000 ] - [ 0.0006847800000000, -0.0100330400000000, -0.0120102400000000 ] - [ -0.0006399600000000, -0.0100293500000000, 0.0120608600000000 ] - [ -0.0006804300000000, -0.0100641100000000, 0.0121396600000000 ] - [ -0.0115620500000000, -0.0000058600000000, 0.0165958700000000 ] - [ -0.0115183400000000, -0.0000065600000000, 0.0167921200000000 ] - [ 0.0115116500000000, -0.0001508300000000, -0.0166790000000000 ] - [ 0.0115823800000000, -0.0001467800000000, -0.0167087700000000 ] - [ -0.0377422000000000, 0.0045462100000000, 0.0130681200000000 ] - [ -0.0377561800000000, -0.0000117000000000, 0.0130606400000000 ] - [ 0.0377566700000000, 0.0000911400000000, -0.0130648000000000 ] - [ 0.0377564000000000, -0.0000032000000000, -0.0130609800000000 ] - [ -0.0199145500000000, -0.0000962900000000, 0.0120602900000000 ] - [ -0.0199129400000000, -0.0000954200000000, 0.0119653000000000 ] - [ 0.0198772800000000, 0.0000106400000000, -0.0119533200000000 ] - [ 0.0199500700000000, 0.0000124800000000, -0.0120720300000000 ] - [ -0.0166901300000000, 0.0014665800000000, 0.0206006700000000 ] - [ -0.0157535300000000, 0.0015022500000000, 0.0198296500000000 ] - [ 0.0161572900000000, -0.0002180600000000, -0.0202922100000000 ] - [ 0.0162773900000000, -0.0002188900000000, -0.0201320800000000 ] - [ -0.0115393900000000, -0.0000470600000000, 0.0166925900000000 ] - [ -0.0115407700000000, 0.0001016200000000, 0.0166939200000000 ] - [ 0.0115924400000000, 0.0044440000000000, -0.0167100500000000 ] - [ 0.0115413300000000, 0.0000624500000000, -0.0166942500000000 ] - [ -0.0376862100000000, 0.0001073400000000, 0.0131268600000000 ] - [ -0.0378294200000000, 0.0001083700000000, 0.0129950900000000 ] - [ 0.0377145700000000, 0.0000121700000000, -0.0130846300000000 ] - [ 0.0378002200000000, 0.0000124000000000, -0.0130381000000000 ] - [ -0.0199128400000000, -0.0000773700000000, 0.0120106400000000 ] - [ -0.0199133400000000, -0.0000308400000000, 0.0120125400000000 ] - [ 0.0199137200000000, -0.0000552700000000, -0.0120126200000000 ] - [ 0.0199140300000000, 0.0000233100000000, -0.0120122400000000 ] - [ -0.0162133500000000, -0.0000382400000000, 0.0202087300000000 ] - [ -0.0162137200000000, 0.0000536000000000, 0.0202074000000000 ] - [ 0.0162139700000000, -0.0002188900000000, -0.0202056800000000 ] - [ 0.0162146100000000, -0.0000510300000000, -0.0202073300000000 ]- atom: 29 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0411965500000000, 0.0521146500000000, -0.0074759900000000 ] - [ 0.0412196900000000, 0.0524756100000000, -0.0066363600000000 ] - [ -0.0459934600000000, 0.0542897400000000, 0.0056911100000000 ] - [ -0.0416549000000000, 0.0526202100000000, 0.0062960500000000 ] - [ -0.0459934600000000, -0.0542897400000000, 0.0056911100000000 ] - [ -0.0416549000000000, -0.0526202100000000, 0.0062960500000000 ] - [ 0.0411965500000000, -0.0521146500000000, -0.0074759900000000 ] - [ 0.0412196900000000, -0.0524756100000000, -0.0066363600000000 ] - [ -0.0295448600000000, -0.0105721100000000, 0.0074012500000000 ] - [ -0.0293328300000000, -0.0104966700000000, 0.0072681600000000 ] - [ 0.0322869500000000, -0.0119872100000000, -0.0071076900000000 ] - [ 0.0292023500000000, -0.0110531800000000, -0.0071922800000000 ] - [ 0.0322869500000000, 0.0119872100000000, -0.0071076900000000 ] - [ 0.0292023500000000, 0.0110531800000000, -0.0071922800000000 ] - [ -0.0295448600000000, 0.0105721100000000, 0.0074012500000000 ] - [ -0.0293328300000000, 0.0104966700000000, 0.0072681600000000 ] - [ 0.0148293000000000, 0.0000000000000000, -0.0068650400000000 ] - [ 0.0117735400000000, 0.0000000000000000, -0.0107020100000000 ] - [ -0.0110437800000000, 0.0000000000000000, 0.0111885500000000 ] - [ -0.0115295700000000, 0.0000000000000000, 0.0109847100000000 ] - [ 0.0037726500000000, 0.0001705900000000, -0.0171779600000000 ] - [ 0.0037726500000000, -0.0001705900000000, -0.0171779600000000 ] - [ -0.0044480400000000, 0.0003973700000000, 0.0174458900000000 ] - [ -0.0044480400000000, -0.0003973700000000, 0.0174458900000000 ] - [ 0.0175919500000000, 0.0000000000000000, -0.0032555800000000 ] - [ 0.0179012100000000, 0.0000000000000000, -0.0034287400000000 ] - [ -0.0171797900000000, 0.0000000000000000, 0.0067749400000000 ] - [ -0.0179105600000000, 0.0000000000000000, 0.0035502200000000 ] - [ 0.0490647900000000, 0.0000000000000000, -0.0750569300000000 ] - [ 0.0150005100000000, 0.0000000000000000, 0.0139708900000000 ] - [ -0.0136655900000000, 0.0000000000000000, -0.0170450700000000 ] - [ -0.0138139400000000, 0.0000000000000000, -0.0156063600000000 ] - [ -0.0154432000000000, 0.0342140900000000, -0.0029233800000000 ] - [ -0.0154037000000000, 0.0342168500000000, -0.0030595700000000 ] - [ 0.0154177400000000, 0.0342176800000000, 0.0030208300000000 ] - [ 0.0153622700000000, 0.0342828900000000, 0.0030993300000000 ] - [ 0.0154177400000000, -0.0342176800000000, 0.0030208300000000 ] - [ 0.0153622700000000, -0.0342828900000000, 0.0030993300000000 ] - [ -0.0154432000000000, -0.0342140900000000, -0.0029233800000000 ] - [ -0.0154037000000000, -0.0342168500000000, -0.0030595700000000 ] - [ -0.0303907900000000, -0.0369843500000000, 0.0387347600000000 ] - [ -0.0296833200000000, -0.0316214000000000, 0.0351260800000000 ] - [ 0.0099050300000000, -0.0580481000000000, -0.0069084800000000 ] - [ 0.0286867700000000, -0.0314215800000000, -0.0336504400000000 ] - [ 0.0099050300000000, 0.0580481000000000, -0.0069084800000000 ] - [ 0.0286867700000000, 0.0314215800000000, -0.0336504400000000 ] - [ -0.0303907900000000, 0.0369843500000000, 0.0387347600000000 ] - [ -0.0296833200000000, 0.0316214000000000, 0.0351260800000000 ] - [ -0.0005863600000000, 0.0102268700000000, 0.0120394000000000 ] - [ -0.0005996400000000, 0.0102094300000000, 0.0120811000000000 ] - [ 0.0005645900000000, 0.0103366600000000, -0.0119853600000000 ] - [ 0.0007510300000000, 0.0102349900000000, -0.0119914500000000 ] - [ 0.0005645900000000, -0.0103366600000000, -0.0119853600000000 ] - [ 0.0007510300000000, -0.0102349900000000, -0.0119914500000000 ] - [ -0.0005863600000000, -0.0102268700000000, 0.0120394000000000 ] - [ -0.0005996400000000, -0.0102094300000000, 0.0120811000000000 ] - [ 0.0412366600000000, 0.0525009200000000, -0.0066503100000000 ] - [ 0.0410067400000000, 0.0522662700000000, -0.0065441300000000 ] - [ -0.0429099200000000, 0.0533215200000000, 0.0058418500000000 ] - [ -0.0412180100000000, 0.0526285800000000, 0.0066272600000000 ] - [ -0.0429099200000000, -0.0533215200000000, 0.0058418500000000 ] - [ -0.0412180100000000, -0.0526285800000000, 0.0066272600000000 ] - [ 0.0412366600000000, -0.0525009200000000, -0.0066503100000000 ] - [ 0.0410067400000000, -0.0522662700000000, -0.0065441300000000 ] - [ -0.0291649300000000, -0.0107446600000000, 0.0071902400000000 ] - [ -0.0293234200000000, -0.0107150200000000, 0.0070096100000000 ] - [ 0.0295134200000000, -0.0107370400000000, -0.0075470000000000 ] - [ 0.0293111800000000, -0.0109090200000000, -0.0072202400000000 ] - [ 0.0295134200000000, 0.0107370400000000, -0.0075470000000000 ] - [ 0.0293111800000000, 0.0109090200000000, -0.0072202400000000 ] - [ -0.0291649300000000, 0.0107446600000000, 0.0071902400000000 ] - [ -0.0293234200000000, 0.0107150200000000, 0.0070096100000000 ] - [ 0.0119415000000000, 0.0006898000000000, -0.0103649900000000 ] - [ 0.0119415000000000, -0.0006898000000000, -0.0103649900000000 ] - [ -0.0110096500000000, -0.0000064800000000, 0.0109167000000000 ] - [ -0.0110096500000000, 0.0000064800000000, 0.0109167000000000 ] - [ 0.0042879700000000, 0.0000000000000000, -0.0171403300000000 ] - [ 0.0043861900000000, 0.0000000000000000, -0.0170609800000000 ] - [ -0.0041745600000000, 0.0000000000000000, 0.0171094400000000 ] - [ -0.0045128000000000, 0.0000000000000000, 0.0170486300000000 ] - [ 0.0179818400000000, -0.0000160300000000, -0.0034751900000000 ] - [ 0.0179818400000000, 0.0000160300000000, -0.0034751900000000 ] - [ -0.0179438400000000, -0.0000243900000000, 0.0036157200000000 ] - [ -0.0179438400000000, 0.0000243900000000, 0.0036157200000000 ] - [ 0.0137242100000000, -0.0000966200000000, 0.0149493200000000 ] - [ 0.0137242100000000, 0.0000966200000000, 0.0149493200000000 ] - [ -0.0139412000000000, -0.0000260300000000, -0.0153156000000000 ] - [ -0.0139412000000000, 0.0000260300000000, -0.0153156000000000 ] - [ -0.0153055200000000, 0.0341469700000000, -0.0032795600000000 ] - [ -0.0153697400000000, 0.0341943200000000, -0.0030960200000000 ] - [ 0.0155240000000000, 0.0338264900000000, 0.0034147100000000 ] - [ 0.0154813700000000, 0.0344371600000000, 0.0030168600000000 ] - [ 0.0155240000000000, -0.0338264900000000, 0.0034147100000000 ] - [ 0.0154813700000000, -0.0344371600000000, 0.0030168600000000 ] - [ -0.0153055200000000, -0.0341469700000000, -0.0032795600000000 ] - [ -0.0153697400000000, -0.0341943200000000, -0.0030960200000000 ] - [ -0.0294833100000000, -0.0312918800000000, 0.0346261500000000 ] - [ -0.0294456500000000, -0.0312773000000000, 0.0346258800000000 ] - [ 0.0299247700000000, -0.0312711400000000, -0.0337306100000000 ] - [ 0.0292696500000000, -0.0310858100000000, -0.0342231400000000 ] - [ 0.0299247700000000, 0.0312711400000000, -0.0337306100000000 ] - [ 0.0292696500000000, 0.0310858100000000, -0.0342231400000000 ] - [ -0.0294833100000000, 0.0312918800000000, 0.0346261500000000 ] - [ -0.0294456500000000, 0.0312773000000000, 0.0346258800000000 ] - [ -0.0004464700000000, 0.0101432500000000, 0.0116834600000000 ] - [ -0.0006390200000000, 0.0101324900000000, 0.0121418900000000 ] - [ -0.0017890400000000, 0.0093608500000000, -0.0107753500000000 ] - [ 0.0006075800000000, 0.0100642800000000, -0.0120259800000000 ] - [ -0.0017890400000000, -0.0093608500000000, -0.0107753500000000 ] - [ 0.0006075800000000, -0.0100642800000000, -0.0120259800000000 ] - [ -0.0004464700000000, -0.0101432500000000, 0.0116834600000000 ] - [ -0.0006390200000000, -0.0101324900000000, 0.0121418900000000 ] - [ -0.0116450700000000, 0.0000006800000000, 0.0166735300000000 ] - [ -0.0116450700000000, -0.0000006800000000, 0.0166735300000000 ] - [ 0.0119189700000000, -0.0003870300000000, -0.0165869500000000 ] - [ 0.0119189700000000, 0.0003870300000000, -0.0165869500000000 ] - [ -0.0293174500000000, 0.0000000000000000, 0.0296239400000000 ] - [ -0.0378110900000000, 0.0000000000000000, 0.0130882800000000 ] - [ 0.0379231800000000, 0.0000000000000000, -0.0135623900000000 ] - [ 0.0377738700000000, 0.0000000000000000, -0.0131154000000000 ] - [ -0.0198713500000000, 0.0000470300000000, 0.0118681000000000 ] - [ -0.0198713500000000, -0.0000470300000000, 0.0118681000000000 ] - [ 0.0199289700000000, 0.0000043700000000, -0.0120680400000000 ] - [ 0.0199289700000000, -0.0000043700000000, -0.0120680400000000 ] - [ -0.0154582800000000, -0.0013298700000000, 0.0191578700000000 ] - [ -0.0154582800000000, 0.0013298700000000, 0.0191578700000000 ] - [ 0.0164514400000000, -0.0006690500000000, -0.0207523500000000 ] - [ 0.0164514400000000, 0.0006690500000000, -0.0207523500000000 ] - [ -0.0116363300000000, 0.0000000000000000, 0.0167079100000000 ] - [ -0.0115394600000000, 0.0000000000000000, 0.0167144300000000 ] - [ 0.0141536800000000, 0.0000000000000000, -0.0112817900000000 ] - [ 0.0115081300000000, 0.0000000000000000, -0.0166737000000000 ] - [ -0.0377022500000000, -0.0000650400000000, 0.0130641500000000 ] - [ -0.0377022500000000, 0.0000650400000000, 0.0130641500000000 ] - [ 0.0377785500000000, -0.0000074100000000, -0.0130456300000000 ] - [ 0.0377785500000000, 0.0000074100000000, -0.0130456300000000 ] - [ -0.0199828400000000, 0.0000000000000000, 0.0121752000000000 ] - [ -0.0198745800000000, 0.0000000000000000, 0.0119664900000000 ] - [ 0.0199014700000000, 0.0000000000000000, -0.0119560600000000 ] - [ 0.0198934400000000, 0.0000000000000000, -0.0120378100000000 ] - [ -0.0162630000000000, 0.0000000000000000, 0.0201723200000000 ] - [ -0.0162189300000000, 0.0000000000000000, 0.0202089000000000 ] - [ 0.0158480600000000, 0.0000000000000000, -0.0199280800000000 ] - [ 0.0161996300000000, 0.0000000000000000, -0.0202030000000000 ]- atom: 29 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0413130800000000, 0.0530214200000000, -0.0058237900000000 ] - [ 0.0412818300000000, 0.0526511100000000, -0.0066585900000000 ] - [ -0.0365289000000000, 0.0508242100000000, 0.0076132100000000 ] - [ -0.0408500600000000, 0.0525043100000000, 0.0069994500000000 ] - [ -0.0365289000000000, -0.0508242100000000, 0.0076132100000000 ] - [ -0.0408500600000000, -0.0525043100000000, 0.0069994500000000 ] - [ 0.0413130800000000, -0.0530214200000000, -0.0058237900000000 ] - [ 0.0412818300000000, -0.0526511100000000, -0.0066585900000000 ] - [ -0.0289635400000000, -0.0110709300000000, 0.0068496200000000 ] - [ -0.0291692500000000, -0.0111483000000000, 0.0069793200000000 ] - [ 0.0262352600000000, -0.0096558900000000, -0.0071652900000000 ] - [ 0.0292997800000000, -0.0105918300000000, -0.0070601200000000 ] - [ 0.0262352600000000, 0.0096558900000000, -0.0071652900000000 ] - [ 0.0292997800000000, 0.0105918300000000, -0.0070601200000000 ] - [ -0.0289635400000000, 0.0110709300000000, 0.0068496200000000 ] - [ -0.0291692500000000, 0.0111483000000000, 0.0069793200000000 ] - [ 0.0086046100000000, 0.0000000000000000, -0.0146409600000000 ] - [ 0.0116667000000000, 0.0000000000000000, -0.0107837800000000 ] - [ -0.0123831900000000, 0.0000000000000000, 0.0102931000000000 ] - [ -0.0119025900000000, 0.0000000000000000, 0.0105011300000000 ] - [ 0.0050536400000000, -0.0001613800000000, -0.0169144400000000 ] - [ 0.0050536400000000, 0.0001613800000000, -0.0169144400000000 ] - [ -0.0043804200000000, -0.0004039100000000, 0.0166327800000000 ] - [ -0.0043804200000000, 0.0004039100000000, 0.0166327800000000 ] - [ 0.0182509300000000, 0.0000000000000000, -0.0038567000000000 ] - [ 0.0179460900000000, 0.0000000000000000, -0.0036791800000000 ] - [ -0.0186591200000000, 0.0000000000000000, 0.0003877700000000 ] - [ -0.0179370000000000, 0.0000000000000000, 0.0035592100000000 ] - [ -0.0227555400000000, 0.0000000000000000, 0.1053990500000000 ] - [ 0.0128474900000000, 0.0000000000000000, 0.0163263800000000 ] - [ -0.0141949900000000, 0.0000000000000000, -0.0132465600000000 ] - [ -0.0140342600000000, 0.0000000000000000, -0.0146920800000000 ] - [ -0.0153570000000000, 0.0342675200000000, -0.0031995800000000 ] - [ -0.0153932500000000, 0.0342637200000000, -0.0030643200000000 ] - [ 0.0153833600000000, 0.0342640600000000, 0.0031027900000000 ] - [ 0.0154360100000000, 0.0341974900000000, 0.0030251800000000 ] - [ 0.0153833600000000, -0.0342640600000000, 0.0031027900000000 ] - [ 0.0154360100000000, -0.0341974900000000, 0.0030251800000000 ] - [ -0.0153570000000000, -0.0342675200000000, -0.0031995800000000 ] - [ -0.0153932500000000, -0.0342637200000000, -0.0030643200000000 ] - [ -0.0284980500000000, -0.0250279400000000, 0.0300843000000000 ] - [ -0.0292631700000000, -0.0304964200000000, 0.0337471100000000 ] - [ 0.0494764200000000, -0.0032249400000000, -0.0622346000000000 ] - [ 0.0302633100000000, -0.0306983000000000, -0.0352341400000000 ] - [ 0.0494764200000000, 0.0032249400000000, -0.0622346000000000 ] - [ 0.0302633100000000, 0.0306983000000000, -0.0352341400000000 ] - [ -0.0284980500000000, 0.0250279400000000, 0.0300843000000000 ] - [ -0.0292631700000000, 0.0304964200000000, 0.0337471100000000 ] - [ -0.0006684700000000, 0.0099712700000000, 0.0120777800000000 ] - [ -0.0006615900000000, 0.0099901800000000, 0.0120357800000000 ] - [ 0.0006956000000000, 0.0098664500000000, -0.0121327900000000 ] - [ 0.0005121200000000, 0.0099702900000000, -0.0121237500000000 ] - [ 0.0006956000000000, -0.0098664500000000, -0.0121327900000000 ] - [ 0.0005121200000000, -0.0099702900000000, -0.0121237500000000 ] - [ -0.0006684700000000, -0.0099712700000000, 0.0120777800000000 ] - [ -0.0006615900000000, -0.0099901800000000, 0.0120357800000000 ] - [ 0.0412644400000000, 0.0526267500000000, -0.0066440300000000 ] - [ 0.0414956100000000, 0.0528588100000000, -0.0067463400000000 ] - [ -0.0395675800000000, 0.0518107200000000, 0.0074540400000000 ] - [ -0.0412802400000000, 0.0524983800000000, 0.0066712600000000 ] - [ -0.0395675800000000, -0.0518107200000000, 0.0074540400000000 ] - [ -0.0412802400000000, -0.0524983800000000, 0.0066712600000000 ] - [ 0.0412644400000000, -0.0526267500000000, -0.0066440300000000 ] - [ 0.0414956100000000, -0.0528588100000000, -0.0067463400000000 ] - [ -0.0293365800000000, -0.0108965200000000, 0.0070609300000000 ] - [ -0.0291805100000000, -0.0109244800000000, 0.0072419800000000 ] - [ 0.0289947800000000, -0.0108959800000000, -0.0067144900000000 ] - [ 0.0291927200000000, -0.0107338100000000, -0.0070335000000000 ] - [ 0.0289947800000000, 0.0108959800000000, -0.0067144900000000 ] - [ 0.0291927200000000, 0.0107338100000000, -0.0070335000000000 ] - [ -0.0293365800000000, 0.0108965200000000, 0.0070609300000000 ] - [ -0.0291805100000000, 0.0109244800000000, 0.0072419800000000 ] - [ 0.0114857200000000, -0.0006822200000000, -0.0111198900000000 ] - [ 0.0114857200000000, 0.0006822200000000, -0.0111198900000000 ] - [ -0.0124354200000000, 0.0000080500000000, 0.0105630900000000 ] - [ -0.0124354200000000, -0.0000080500000000, 0.0105630900000000 ] - [ 0.0045452500000000, 0.0000000000000000, -0.0169381800000000 ] - [ 0.0044415900000000, 0.0000000000000000, -0.0170226400000000 ] - [ -0.0046534200000000, 0.0000000000000000, 0.0169759000000000 ] - [ -0.0043160400000000, 0.0000000000000000, 0.0170364500000000 ] - [ 0.0178661100000000, 0.0000161800000000, -0.0036325400000000 ] - [ 0.0178661100000000, -0.0000161800000000, -0.0036325400000000 ] - [ -0.0179058200000000, 0.0000251000000000, 0.0034915500000000 ] - [ -0.0179058200000000, -0.0000251000000000, 0.0034915500000000 ] - [ 0.0141260100000000, 0.0001001500000000, 0.0153555600000000 ] - [ 0.0141260100000000, -0.0001001500000000, 0.0153555600000000 ] - [ -0.0139030600000000, 0.0000247900000000, -0.0149828400000000 ] - [ -0.0139030600000000, -0.0000247900000000, -0.0149828400000000 ] - [ -0.0154897400000000, 0.0343354400000000, -0.0028456900000000 ] - [ -0.0154303600000000, 0.0342889300000000, -0.0030285900000000 ] - [ 0.0152763900000000, 0.0346356300000000, 0.0027326200000000 ] - [ 0.0153182400000000, 0.0340438000000000, 0.0031064200000000 ] - [ 0.0152763900000000, -0.0346356300000000, 0.0027326200000000 ] - [ 0.0153182400000000, -0.0340438000000000, 0.0031064200000000 ] - [ -0.0154897400000000, -0.0343354400000000, -0.0028456900000000 ] - [ -0.0154303600000000, -0.0342889300000000, -0.0030285900000000 ] - [ -0.0294646600000000, -0.0308287900000000, 0.0342493000000000 ] - [ -0.0295023400000000, -0.0308439400000000, 0.0342508200000000 ] - [ 0.0290233200000000, -0.0308446200000000, -0.0351494900000000 ] - [ 0.0296804400000000, -0.0310334900000000, -0.0346558700000000 ] - [ 0.0290233200000000, 0.0308446200000000, -0.0351494900000000 ] - [ 0.0296804400000000, 0.0310334900000000, -0.0346558700000000 ] - [ -0.0294646600000000, 0.0308287900000000, 0.0342493000000000 ] - [ -0.0295023400000000, 0.0308439400000000, 0.0342508200000000 ] - [ -0.0008149600000000, 0.0100604800000000, 0.0124333900000000 ] - [ -0.0006198200000000, 0.0100684400000000, 0.0119744900000000 ] - [ 0.0030279700000000, 0.0108518800000000, -0.0133510300000000 ] - [ 0.0006517800000000, 0.0101367500000000, -0.0120913700000000 ] - [ 0.0030279700000000, -0.0108518800000000, -0.0133510300000000 ] - [ 0.0006517800000000, -0.0101367500000000, -0.0120913700000000 ] - [ -0.0008149600000000, -0.0100604800000000, 0.0124333900000000 ] - [ -0.0006198200000000, -0.0100684400000000, 0.0119744900000000 ] - [ -0.0114340900000000, -0.0000009000000000, 0.0167143700000000 ] - [ -0.0114340900000000, 0.0000009000000000, 0.0167143700000000 ] - [ 0.0111707200000000, 0.0003805200000000, -0.0168022100000000 ] - [ 0.0111707200000000, -0.0003805200000000, -0.0168022100000000 ] - [ -0.0457026800000000, 0.0000000000000000, -0.0028822400000000 ] - [ -0.0376999200000000, 0.0000000000000000, 0.0130384900000000 ] - [ 0.0375889900000000, 0.0000000000000000, -0.0125646100000000 ] - [ 0.0377362700000000, 0.0000000000000000, -0.0130090600000000 ] - [ -0.0199589800000000, -0.0000469900000000, 0.0121548500000000 ] - [ -0.0199589800000000, 0.0000469900000000, 0.0121548500000000 ] - [ 0.0198999500000000, -0.0000029800000000, -0.0119542500000000 ] - [ 0.0198999500000000, 0.0000029800000000, -0.0119542500000000 ] - [ -0.0169798900000000, 0.0013096900000000, 0.0212569300000000 ] - [ -0.0169798900000000, -0.0013096900000000, 0.0212569300000000 ] - [ 0.0159751900000000, 0.0006764000000000, -0.0196667600000000 ] - [ 0.0159751900000000, -0.0006764000000000, -0.0196667600000000 ] - [ -0.0114442200000000, 0.0000000000000000, 0.0166787000000000 ] - [ -0.0115373200000000, 0.0000000000000000, 0.0166725900000000 ] - [ 0.0089596900000000, 0.0000000000000000, -0.0220674800000000 ] - [ 0.0115698900000000, 0.0000000000000000, -0.0167167200000000 ] - [ -0.0378083200000000, 0.0000634200000000, 0.0130608300000000 ] - [ -0.0378083200000000, -0.0000634200000000, 0.0130608300000000 ] - [ 0.0377313100000000, 0.0000071300000000, -0.0130790200000000 ] - [ 0.0377313100000000, -0.0000071300000000, -0.0130790200000000 ] - [ -0.0198474600000000, 0.0000000000000000, 0.0118484800000000 ] - [ -0.0199545800000000, 0.0000000000000000, 0.0120567400000000 ] - [ 0.0199262300000000, 0.0000000000000000, -0.0120649400000000 ] - [ 0.0199346300000000, 0.0000000000000000, -0.0119846800000000 ] - [ -0.0161623100000000, 0.0000000000000000, 0.0202358600000000 ] - [ -0.0162070400000000, 0.0000000000000000, 0.0202007200000000 ] - [ 0.0165772500000000, 0.0000000000000000, -0.0204776900000000 ] - [ 0.0162259800000000, 0.0000000000000000, -0.0202039600000000 ]- atom: 33 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0412182700000000, 0.0526578500000000, -0.0065731300000000 ] - [ 0.0412190000000000, 0.0526354600000000, -0.0066074900000000 ] - [ -0.0411331900000000, 0.0525749600000000, 0.0066276700000000 ] - [ -0.0412019600000000, 0.0524801000000000, 0.0067134200000000 ] - [ -0.0422391300000000, -0.0525311000000000, 0.0068224700000000 ] - [ -0.0411760400000000, -0.0525680500000000, 0.0066465200000000 ] - [ 0.0442970800000000, -0.0530085900000000, -0.0062617600000000 ] - [ 0.0412804800000000, -0.0526055900000000, -0.0066110300000000 ] - [ -0.0290404000000000, -0.0107884100000000, 0.0072857100000000 ] - [ -0.0284827300000000, -0.0106838000000000, 0.0074106300000000 ] - [ 0.0290337700000000, -0.0106466800000000, -0.0070632300000000 ] - [ 0.0292053000000000, -0.0107620200000000, -0.0070091000000000 ] - [ 0.0306402100000000, 0.0113635400000000, -0.0075957400000000 ] - [ 0.0292385900000000, 0.0107139700000000, -0.0071801600000000 ] - [ -0.0312285000000000, 0.0125785900000000, 0.0154213500000000 ] - [ -0.0291879700000000, 0.0107518100000000, 0.0071779600000000 ] - [ 0.0116411400000000, 0.0001464400000000, -0.0107197600000000 ] - [ 0.0116918100000000, 0.0001151400000000, -0.0106749700000000 ] - [ -0.0119447600000000, 0.0000206500000000, 0.0107324900000000 ] - [ -0.0117654900000000, -0.0000004900000000, 0.0107629200000000 ] - [ 0.0045423900000000, 0.0000521200000000, -0.0169857100000000 ] - [ 0.0048989100000000, 0.0003065400000000, -0.0170667500000000 ] - [ -0.0043503700000000, -0.0000826500000000, 0.0169661800000000 ] - [ -0.0046554100000000, 0.0004858700000000, 0.0169190400000000 ] - [ 0.0230210000000000, -0.0048324200000000, -0.0031196800000000 ] - [ 0.0182720000000000, -0.0002308400000000, -0.0032156500000000 ] - [ -0.0178159400000000, -0.0006175000000000, 0.0035761100000000 ] - [ -0.0175221400000000, -0.0001024500000000, 0.0033745500000000 ] - [ 0.0139870300000000, -0.0000822100000000, 0.0151268200000000 ] - [ 0.0138980700000000, 0.0000773300000000, 0.0151376900000000 ] - [ -0.0140380300000000, 0.0002103600000000, -0.0151694300000000 ] - [ -0.0138470300000000, 0.0001350200000000, -0.0151652900000000 ] - [ -0.1599109300000000, 0.0279526800000000, 0.0063724200000000 ] - [ -0.0162327000000000, 0.0346710500000000, -0.0030298800000000 ] - [ 0.0926943500000000, 0.0317493400000000, 0.0174825300000000 ] - [ 0.0155891500000000, 0.0342237400000000, 0.0030503300000000 ] - [ 0.0143080100000000, -0.0336414200000000, 0.0028997800000000 ] - [ 0.0162461800000000, -0.0331513100000000, 0.0030201600000000 ] - [ -0.0162800100000000, -0.0346776000000000, -0.0030927300000000 ] - [ -0.0200185600000000, -0.0348889900000000, -0.0024036300000000 ] - [ -0.0304949400000000, -0.0310245100000000, 0.0358082600000000 ] - [ -0.0294141100000000, -0.0310824200000000, 0.0344463900000000 ] - [ 0.0306037000000000, -0.0311445300000000, -0.0350985300000000 ] - [ 0.0294667300000000, -0.0310903000000000, -0.0344103000000000 ] - [ 0.0294096900000000, 0.0311918100000000, -0.0344267400000000 ] - [ 0.0294897600000000, 0.0310362400000000, -0.0344271300000000 ] - [ -0.0294760300000000, 0.0309569400000000, 0.0343913200000000 ] - [ -0.0294494900000000, 0.0309307900000000, 0.0342924000000000 ] - [ 0.0119069600000000, 0.0082167800000000, -0.0032915700000000 ] - [ -0.0006557700000000, 0.0102700400000000, 0.0119165200000000 ] - [ -0.0012854400000000, 0.0107271200000000, -0.0067900200000000 ] - [ 0.0005635900000000, 0.0100188400000000, -0.0120617100000000 ] - [ 0.0006666400000000, -0.0102330900000000, -0.0119852500000000 ] - [ 0.0003725400000000, -0.0100595300000000, -0.0129783800000000 ] - [ -0.0005957000000000, -0.0098547700000000, 0.0125801300000000 ] - [ 0.0003276800000000, -0.0125039700000000, 0.0133315200000000 ] - [ 0.0411105200000000, 0.0526145100000000, -0.0067301000000000 ] - [ 0.0411957300000000, 0.0526078900000000, -0.0066984700000000 ] - [ -0.0413671400000000, 0.0522740900000000, 0.0066123300000000 ] - [ -0.0412305500000000, 0.0525896700000000, 0.0066021000000000 ] - [ -0.0412967000000000, -0.0525650600000000, 0.0065384900000000 ] - [ -0.0413253200000000, -0.0527035000000000, 0.0068116900000000 ] - [ 0.0411163000000000, -0.0526948500000000, -0.0067864300000000 ] - [ 0.0413253700000000, -0.0526048200000000, -0.0067107200000000 ] - [ -0.0290995700000000, -0.0109322600000000, 0.0072561800000000 ] - [ -0.0292809200000000, -0.0107789200000000, 0.0072255800000000 ] - [ 0.0295946400000000, -0.0106618400000000, -0.0071334900000000 ] - [ 0.0295961100000000, -0.0105586400000000, -0.0069748700000000 ] - [ 0.0293495500000000, 0.0107381500000000, -0.0071846700000000 ] - [ 0.0291276100000000, 0.0113877500000000, -0.0073923500000000 ] - [ -0.0291854500000000, 0.0109498900000000, 0.0072763500000000 ] - [ -0.0293706100000000, 0.0108488200000000, 0.0073277600000000 ] - [ 0.0117660700000000, 0.0000088500000000, -0.0106155400000000 ] - [ 0.0116997300000000, 0.0000127900000000, -0.0106397100000000 ] - [ -0.0117269100000000, 0.0000086500000000, 0.0108472800000000 ] - [ -0.0116146600000000, 0.0000313500000000, 0.0109421600000000 ] - [ 0.0045899300000000, -0.0004708600000000, -0.0181074800000000 ] - [ 0.0044099600000000, -0.0000853000000000, -0.0172341800000000 ] - [ -0.0046058400000000, -0.0001915500000000, 0.0167424000000000 ] - [ -0.0044902700000000, 0.0000312600000000, 0.0169900700000000 ] - [ 0.0185263600000000, -0.0000963400000000, -0.0035769100000000 ] - [ 0.0233005900000000, -0.0055020800000000, -0.0043872200000000 ] - [ -0.0171772200000000, 0.0001209200000000, 0.0031798500000000 ] - [ 0.0121520500000000, 0.0309043700000000, -0.0112781600000000 ] - [ 0.0138083400000000, -0.0000163000000000, 0.0151471900000000 ] - [ 0.0133270700000000, 0.0000185300000000, 0.0150587400000000 ] - [ -0.0140106500000000, 0.0000366600000000, -0.0150920900000000 ] - [ -0.0140202400000000, -0.0005742500000000, -0.0150551400000000 ] - [ -0.0149105500000000, 0.0341750300000000, -0.0034927500000000 ] - [ -0.0149197300000000, 0.0346652800000000, -0.0029287600000000 ] - [ 0.0161490100000000, 0.0348862100000000, 0.0041878600000000 ] - [ 0.0161523300000000, 0.0343201900000000, 0.0028079300000000 ] - [ 0.0153047300000000, -0.0338221000000000, 0.0029650300000000 ] - [ 0.0154299900000000, -0.0340676900000000, 0.0026681500000000 ] - [ -0.0156323800000000, -0.0347189000000000, -0.0027771400000000 ] - [ -0.0156004700000000, -0.0341596100000000, -0.0028813700000000 ] - [ -0.0294913200000000, -0.0309563000000000, 0.0343548000000000 ] - [ -0.0295472900000000, -0.0307898500000000, 0.0342378500000000 ] - [ 0.0295741100000000, -0.0311929500000000, -0.0343694000000000 ] - [ 0.0295606700000000, -0.0311936300000000, -0.0345396100000000 ] - [ 0.0294722300000000, 0.0313408000000000, -0.0344113500000000 ] - [ 0.0295111900000000, 0.0310758900000000, -0.0344402500000000 ] - [ -0.0294629800000000, 0.0308190900000000, 0.0342024000000000 ] - [ -0.0295082300000000, 0.0310143700000000, 0.0344075700000000 ] - [ -0.0007136700000000, 0.0101065200000000, 0.0118753400000000 ] - [ -0.0005651000000000, 0.0100400900000000, 0.0121832100000000 ] - [ 0.0006536000000000, 0.0102068300000000, -0.0118169200000000 ] - [ 0.0005019800000000, 0.0099743100000000, -0.0118311000000000 ] - [ 0.0007656500000000, -0.0101454700000000, -0.0123138500000000 ] - [ 0.0005943500000000, -0.0097120600000000, -0.0122695700000000 ] - [ -0.0006222700000000, -0.0101530500000000, 0.0121298900000000 ] - [ -0.0005468500000000, -0.0099889200000000, 0.0121842900000000 ] - [ -0.0115618200000000, 0.0000187500000000, 0.0166438600000000 ] - [ -0.0115176700000000, -0.0001503900000000, 0.0165484200000000 ] - [ 0.0115244900000000, -0.0000461800000000, -0.0166930400000000 ] - [ 0.0115527200000000, 0.0000403700000000, -0.0168448700000000 ] - [ -0.0377586600000000, 0.0000387900000000, 0.0130971000000000 ] - [ -0.0376527400000000, -0.0000706900000000, 0.0130523800000000 ] - [ 0.0378304300000000, -0.0000993800000000, -0.0130292100000000 ] - [ 0.0376822000000000, -0.0000558500000000, -0.0131119300000000 ] - [ -0.0199714500000000, 0.0000212600000000, 0.0120157900000000 ] - [ -0.0177797800000000, 0.0008881300000000, 0.0114739400000000 ] - [ 0.0200166700000000, 0.0000030000000000, -0.0120036500000000 ] - [ 0.0195356000000000, -0.0000887000000000, -0.0122928800000000 ] - [ -0.0162017300000000, -0.0000248600000000, 0.0201937200000000 ] - [ -0.0162553300000000, 0.0000481100000000, 0.0200876600000000 ] - [ 0.0161935900000000, 0.0000311300000000, -0.0201962800000000 ] - [ 0.0164355100000000, 0.0000259000000000, -0.0200956900000000 ] - [ -0.0114890600000000, 0.0000049600000000, 0.0166933100000000 ] - [ -0.0115660500000000, 0.0000546000000000, 0.0167127200000000 ] - [ 0.0115091600000000, -0.0000401000000000, -0.0166242800000000 ] - [ 0.0115738900000000, 0.0000232600000000, -0.0166726000000000 ] - [ -0.0377845200000000, 0.0000351700000000, 0.0130444500000000 ] - [ -0.0370419700000000, -0.0010385000000000, 0.0118984400000000 ] - [ 0.0376977300000000, 0.0000130100000000, -0.0130548200000000 ] - [ 0.0374394800000000, 0.0003604300000000, -0.0128891200000000 ] - [ -0.0191305400000000, 0.0008430900000000, 0.0116415800000000 ] - [ -0.0196429100000000, -0.0000014500000000, 0.0119548100000000 ] - [ 0.0319642900000000, -0.0132576400000000, -0.0172406700000000 ] - [ 0.0199804800000000, -0.0003924100000000, -0.0125367300000000 ] - [ -0.0163825500000000, -0.0000214900000000, 0.0201202700000000 ] - [ -0.0162337800000000, 0.0000102100000000, 0.0201400300000000 ] - [ 0.0161669800000000, 0.0000101600000000, -0.0201965200000000 ] - [ 0.0162372100000000, -0.0000102200000000, -0.0202076400000000 ]- atom: 33 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0412813700000000, 0.0524695000000000, -0.0067221800000000 ] - [ 0.0412859800000000, 0.0524936900000000, -0.0066941300000000 ] - [ -0.0413678400000000, 0.0525539000000000, 0.0066687000000000 ] - [ -0.0412985600000000, 0.0526444100000000, 0.0065830800000000 ] - [ -0.0402579100000000, -0.0525928500000000, 0.0064718300000000 ] - [ -0.0413249800000000, -0.0525594800000000, 0.0066502700000000 ] - [ 0.0382068200000000, -0.0521228600000000, -0.0070240200000000 ] - [ 0.0412198400000000, -0.0525212300000000, -0.0066815400000000 ] - [ -0.0294567700000000, -0.0108508100000000, 0.0069662300000000 ] - [ -0.0300364000000000, -0.0109424300000000, 0.0068403100000000 ] - [ 0.0294629200000000, -0.0109913900000000, -0.0071886300000000 ] - [ 0.0292875100000000, -0.0108703600000000, -0.0072439000000000 ] - [ 0.0278527500000000, 0.0102650300000000, -0.0066568400000000 ] - [ 0.0292607800000000, 0.0109239300000000, -0.0070720500000000 ] - [ -0.0272744700000000, 0.0090502100000000, -0.0011922000000000 ] - [ -0.0293090600000000, 0.0108844100000000, 0.0070719800000000 ] - [ 0.0117897900000000, -0.0001459200000000, -0.0107652600000000 ] - [ 0.0117383900000000, -0.0001157800000000, -0.0108065300000000 ] - [ -0.0114868100000000, -0.0000224400000000, 0.0107530200000000 ] - [ -0.0116659100000000, 0.0000004600000000, 0.0107216600000000 ] - [ 0.0042874500000000, -0.0000510600000000, -0.0171028100000000 ] - [ 0.0039419400000000, -0.0003042200000000, -0.0170034400000000 ] - [ -0.0044776600000000, 0.0000847700000000, 0.0171266300000000 ] - [ -0.0041672400000000, -0.0004912500000000, 0.0171786500000000 ] - [ 0.0128886400000000, 0.0047844300000000, -0.0039621500000000 ] - [ 0.0175638200000000, 0.0002348300000000, -0.0038833900000000 ] - [ -0.0180395600000000, 0.0006058800000000, 0.0035217800000000 ] - [ -0.0183248300000000, 0.0001005400000000, 0.0037247800000000 ] - [ 0.0138639900000000, 0.0000821600000000, 0.0151792000000000 ] - [ 0.0139489900000000, -0.0000773400000000, 0.0151653400000000 ] - [ -0.0138115300000000, -0.0002111900000000, -0.0151350100000000 ] - [ -0.0140026400000000, -0.0001346000000000, -0.0151378700000000 ] - [ 0.1328090000000000, 0.0401559300000000, -0.0106929800000000 ] - [ -0.0145605500000000, 0.0338156800000000, -0.0031002200000000 ] - [ -0.0657449400000000, 0.0367474700000000, -0.0123005800000000 ] - [ 0.0152068600000000, 0.0342619400000000, 0.0030719800000000 ] - [ 0.0164899600000000, -0.0348366200000000, 0.0032212000000000 ] - [ 0.0145611500000000, -0.0353482100000000, 0.0031158200000000 ] - [ -0.0145398700000000, -0.0337888500000000, -0.0030181800000000 ] - [ -0.0107528500000000, -0.0335762100000000, -0.0037262100000000 ] - [ -0.0284591700000000, -0.0310933600000000, 0.0330691600000000 ] - [ -0.0295301700000000, -0.0310334700000000, 0.0344263500000000 ] - [ 0.0283456200000000, -0.0309749200000000, -0.0337743300000000 ] - [ 0.0294785400000000, -0.0310270600000000, -0.0344619400000000 ] - [ 0.0295363200000000, 0.0309255900000000, -0.0344468900000000 ] - [ 0.0294579000000000, 0.0310802000000000, -0.0344455600000000 ] - [ -0.0294668500000000, 0.0311589100000000, 0.0344796100000000 ] - [ -0.0294969300000000, 0.0311852400000000, 0.0345792400000000 ] - [ -0.0131971300000000, 0.0120055100000000, 0.0272068600000000 ] - [ -0.0006033100000000, 0.0099358900000000, 0.0122041300000000 ] - [ 0.0025709700000000, 0.0094761400000000, -0.0173522300000000 ] - [ 0.0006961800000000, 0.0101847900000000, -0.0120558700000000 ] - [ 0.0005940400000000, -0.0099714300000000, -0.0121317000000000 ] - [ 0.0008924500000000, -0.0101630000000000, -0.0111295200000000 ] - [ -0.0006669700000000, -0.0103515400000000, 0.0115418000000000 ] - [ -0.0015559100000000, -0.0077333500000000, 0.0108059600000000 ] - [ 0.0413911900000000, 0.0525120300000000, -0.0065663000000000 ] - [ 0.0413070600000000, 0.0525207200000000, -0.0065991400000000 ] - [ -0.0411340600000000, 0.0528527000000000, 0.0066833500000000 ] - [ -0.0412702500000000, 0.0525328800000000, 0.0066925000000000 ] - [ -0.0412089300000000, -0.0525607800000000, 0.0067554900000000 ] - [ -0.0411736100000000, -0.0524209100000000, 0.0064832700000000 ] - [ 0.0413844700000000, -0.0524318800000000, -0.0065090100000000 ] - [ 0.0411779900000000, -0.0525225900000000, -0.0065851700000000 ] - [ -0.0293987900000000, -0.0107027500000000, 0.0069952700000000 ] - [ -0.0292198900000000, -0.0108574400000000, 0.0070277500000000 ] - [ 0.0289072200000000, -0.0109766500000000, -0.0071237500000000 ] - [ 0.0289025300000000, -0.0110779900000000, -0.0072763600000000 ] - [ 0.0291485800000000, 0.0108973500000000, -0.0070622000000000 ] - [ 0.0293686400000000, 0.0102523000000000, -0.0068608300000000 ] - [ -0.0293117000000000, 0.0106860100000000, 0.0069712200000000 ] - [ -0.0291244600000000, 0.0107886400000000, 0.0069241300000000 ] - [ 0.0116641500000000, -0.0000094700000000, -0.0108684200000000 ] - [ 0.0117329100000000, -0.0000134000000000, -0.0108415900000000 ] - [ -0.0117059300000000, -0.0000084200000000, 0.0106376700000000 ] - [ -0.0118164500000000, -0.0000322300000000, 0.0105450600000000 ] - [ 0.0042340800000000, 0.0004843700000000, -0.0160024000000000 ] - [ 0.0044174800000000, 0.0000813300000000, -0.0168559400000000 ] - [ -0.0042208600000000, 0.0001971100000000, 0.0173498400000000 ] - [ -0.0043389400000000, -0.0000335700000000, 0.0171029400000000 ] - [ 0.0173196200000000, 0.0000957900000000, -0.0035247500000000 ] - [ 0.0123804700000000, 0.0055381300000000, -0.0027590100000000 ] - [ -0.0186619500000000, -0.0001206900000000, 0.0039144600000000 ] - [ -0.0478479500000000, -0.0301386300000000, 0.0179295400000000 ] - [ 0.0140409900000000, 0.0000167300000000, 0.0151582600000000 ] - [ 0.0145218000000000, -0.0000179100000000, 0.0152437000000000 ] - [ -0.0138388000000000, -0.0000359600000000, -0.0152107300000000 ] - [ -0.0138257200000000, 0.0005724200000000, -0.0152561100000000 ] - [ -0.0158771800000000, 0.0343078000000000, -0.0026364700000000 ] - [ -0.0158838100000000, 0.0338099400000000, -0.0031933100000000 ] - [ 0.0146497800000000, 0.0335985700000000, 0.0019418600000000 ] - [ 0.0146456500000000, 0.0341722200000000, 0.0033201400000000 ] - [ 0.0155097200000000, -0.0346696200000000, 0.0031528500000000 ] - [ 0.0153707700000000, -0.0344212900000000, 0.0034585400000000 ] - [ -0.0151567300000000, -0.0337529500000000, -0.0033419200000000 ] - [ -0.0151990600000000, -0.0343195200000000, -0.0032416300000000 ] - [ -0.0294526200000000, -0.0311580100000000, 0.0345167200000000 ] - [ -0.0294016600000000, -0.0313228500000000, 0.0346393500000000 ] - [ 0.0293698300000000, -0.0309227600000000, -0.0345023600000000 ] - [ 0.0293824200000000, -0.0309185000000000, -0.0343342300000000 ] - [ 0.0294727000000000, 0.0307730700000000, -0.0344632600000000 ] - [ 0.0294342700000000, 0.0310402000000000, -0.0344337300000000 ] - [ -0.0294823100000000, 0.0312941700000000, 0.0346678900000000 ] - [ -0.0294368400000000, 0.0310994700000000, 0.0344637600000000 ] - [ -0.0005509800000000, 0.0100982600000000, 0.0122380500000000 ] - [ -0.0006963700000000, 0.0101615100000000, 0.0119273900000000 ] - [ 0.0006082800000000, 0.0099994100000000, -0.0122958800000000 ] - [ 0.0007575600000000, 0.0102238600000000, -0.0122862300000000 ] - [ 0.0004955700000000, -0.0100622900000000, -0.0118074300000000 ] - [ 0.0006661600000000, -0.0104889000000000, -0.0118465500000000 ] - [ -0.0006386500000000, -0.0100528500000000, 0.0119873400000000 ] - [ -0.0007129100000000, -0.0102116400000000, 0.0119316300000000 ] - [ -0.0115164600000000, -0.0000117600000000, 0.0167458400000000 ] - [ -0.0115571300000000, 0.0001565000000000, 0.0168443300000000 ] - [ 0.0115517600000000, 0.0000395200000000, -0.0166961300000000 ] - [ 0.0115235300000000, -0.0000472400000000, -0.0165422000000000 ] - [ -0.0377440600000000, -0.0000343500000000, 0.0130305500000000 ] - [ -0.0378531900000000, 0.0000742900000000, 0.0130739300000000 ] - [ 0.0376798600000000, 0.0000969500000000, -0.0130918300000000 ] - [ 0.0378222100000000, 0.0000505500000000, -0.0130164000000000 ] - [ -0.0198609200000000, -0.0000156100000000, 0.0120063100000000 ] - [ -0.0220516000000000, -0.0008793200000000, 0.0125534800000000 ] - [ 0.0198173000000000, -0.0000081500000000, -0.0120171200000000 ] - [ 0.0202806700000000, 0.0001017500000000, -0.0117228100000000 ] - [ -0.0162177900000000, 0.0000327000000000, 0.0202056400000000 ] - [ -0.0161612300000000, -0.0000410000000000, 0.0203057100000000 ] - [ 0.0162254000000000, -0.0000390500000000, -0.0202033100000000 ] - [ 0.0159816400000000, -0.0000327700000000, -0.0203038300000000 ] - [ -0.0115864600000000, 0.0000002300000000, 0.0166968100000000 ] - [ -0.0115112700000000, -0.0000484200000000, 0.0166773400000000 ] - [ 0.0115669400000000, 0.0000339200000000, -0.0167677300000000 ] - [ 0.0115019900000000, -0.0000285500000000, -0.0167165400000000 ] - [ -0.0377189100000000, -0.0000330000000000, 0.0130815300000000 ] - [ -0.0384588800000000, 0.0010542400000000, 0.0142339500000000 ] - [ 0.0378065000000000, -0.0000165600000000, -0.0130732000000000 ] - [ 0.0380780800000000, -0.0003698100000000, -0.0132433100000000 ] - [ -0.0207437600000000, -0.0008453800000000, 0.0123827600000000 ] - [ -0.0201873900000000, 0.0000108100000000, 0.0120690100000000 ] - [ 0.0079566300000000, 0.0128482800000000, -0.0069914700000000 ] - [ 0.0198475200000000, 0.0003872800000000, -0.0114787000000000 ] - [ -0.0160364800000000, 0.0000290800000000, 0.0202766300000000 ] - [ -0.0161886800000000, -0.0000033700000000, 0.0202635300000000 ] - [ 0.0162537400000000, -0.0000162900000000, -0.0202038900000000 ] - [ 0.0161828800000000, 0.0000018000000000, -0.0201915300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0412851900000000, 0.0523150000000000, -0.0067712200000000 ] - [ 0.0412336600000000, 0.0525189000000000, -0.0067578100000000 ] - [ -0.0413542700000000, 0.0525623200000000, 0.0066681100000000 ] - [ -0.0412031600000000, 0.0526981900000000, 0.0065920600000000 ] - [ -0.0410206000000000, -0.0526893500000000, 0.0064699700000000 ] - [ -0.0413195600000000, -0.0525657700000000, 0.0066587200000000 ] - [ 0.0397624400000000, -0.0526028500000000, -0.0060492700000000 ] - [ 0.0412637000000000, -0.0524521700000000, -0.0068081200000000 ] - [ -0.0293383200000000, -0.0109978300000000, 0.0070248700000000 ] - [ -0.0298647100000000, -0.0102012500000000, 0.0068982500000000 ] - [ 0.0294362400000000, -0.0109791100000000, -0.0071861600000000 ] - [ 0.0291805700000000, -0.0110633200000000, -0.0073820100000000 ] - [ 0.0293728000000000, 0.0107535600000000, -0.0070623300000000 ] - [ 0.0292799100000000, 0.0109377200000000, -0.0071139600000000 ] - [ -0.0270306100000000, 0.0103124100000000, 0.0060686800000000 ] - [ -0.0295157700000000, 0.0105510400000000, 0.0070887800000000 ] - [ 0.0117018000000000, -0.0000261300000000, -0.0108065400000000 ] - [ 0.0117125400000000, 0.0000139300000000, -0.0107984200000000 ] - [ -0.0115350300000000, -0.0000098500000000, 0.0107386300000000 ] - [ -0.0116209400000000, 0.0000016500000000, 0.0107719600000000 ] - [ 0.0043072400000000, -0.0000132000000000, -0.0170432900000000 ] - [ 0.0044365900000000, 0.0001708500000000, -0.0166192500000000 ] - [ -0.0044377100000000, 0.0001004100000000, 0.0170949000000000 ] - [ -0.0049465100000000, -0.0001530800000000, 0.0171696200000000 ] - [ 0.0147210500000000, 0.0014161800000000, -0.0044193000000000 ] - [ 0.0170463000000000, -0.0000171600000000, -0.0036119400000000 ] - [ -0.0175171500000000, 0.0014350000000000, 0.0032801000000000 ] - [ -0.0182215800000000, -0.0004955100000000, 0.0033843600000000 ] - [ 0.0138720800000000, 0.0000188100000000, 0.0151028100000000 ] - [ 0.0139935900000000, -0.0000862700000000, 0.0151447700000000 ] - [ -0.0140200700000000, 0.0001545100000000, -0.0151537500000000 ] - [ -0.0138324500000000, 0.0000031200000000, -0.0151625000000000 ] - [ -0.0228303500000000, -0.1078547400000000, -0.0042250200000000 ] - [ -0.0149704200000000, 0.0353881300000000, -0.0030533000000000 ] - [ 0.0180822500000000, 0.0464395500000000, 0.0048065700000000 ] - [ 0.0154221600000000, 0.0344348700000000, 0.0030461200000000 ] - [ 0.0159912900000000, -0.0355273300000000, 0.0031720200000000 ] - [ 0.0165006300000000, -0.0357936000000000, 0.0033642500000000 ] - [ -0.0149672700000000, -0.0263591500000000, -0.0031707500000000 ] - [ -0.0147317000000000, -0.0216170700000000, -0.0010720800000000 ] - [ -0.0288908300000000, -0.0311915500000000, 0.0337410400000000 ] - [ -0.0294831200000000, -0.0310809500000000, 0.0345468900000000 ] - [ 0.0290735300000000, -0.0308539400000000, -0.0342095000000000 ] - [ 0.0295461500000000, -0.0309486100000000, -0.0344841400000000 ] - [ 0.0295613400000000, 0.0309775600000000, -0.0344808500000000 ] - [ 0.0294546000000000, 0.0309834500000000, -0.0344268200000000 ] - [ -0.0295861500000000, 0.0310841100000000, 0.0344712800000000 ] - [ -0.0294666100000000, 0.0313099900000000, 0.0344322900000000 ] - [ -0.0022772700000000, 0.0247692100000000, 0.0236252300000000 ] - [ -0.0005941100000000, 0.0100225200000000, 0.0124808100000000 ] - [ -0.0004785600000000, 0.0102267200000000, -0.0139334400000000 ] - [ 0.0005683600000000, 0.0100715500000000, -0.0119939400000000 ] - [ 0.0006354500000000, -0.0100211900000000, -0.0120369900000000 ] - [ -0.0000094400000000, -0.0095101100000000, -0.0124268400000000 ] - [ -0.0007417200000000, -0.0106401900000000, 0.0118492800000000 ] - [ -0.0012781800000000, -0.0058927100000000, 0.0155861200000000 ] - [ 0.0413062600000000, 0.0525094400000000, -0.0066472300000000 ] - [ 0.0412795300000000, 0.0525292500000000, -0.0066473400000000 ] - [ -0.0412213800000000, 0.0531047500000000, 0.0070189700000000 ] - [ -0.0410997900000000, 0.0527320900000000, 0.0066086000000000 ] - [ -0.0411635600000000, -0.0528059000000000, 0.0068081700000000 ] - [ -0.0412737600000000, -0.0532424700000000, 0.0067015000000000 ] - [ 0.0413278900000000, -0.0525412200000000, -0.0066665400000000 ] - [ 0.0412639700000000, -0.0524879900000000, -0.0066861000000000 ] - [ -0.0293202300000000, -0.0107364000000000, 0.0069589400000000 ] - [ -0.0293268600000000, -0.0107816900000000, 0.0070726600000000 ] - [ 0.0291848000000000, -0.0125966200000000, -0.0077601600000000 ] - [ 0.0291512500000000, -0.0107628400000000, -0.0071592800000000 ] - [ 0.0287530000000000, 0.0116698800000000, -0.0071039700000000 ] - [ 0.0289063200000000, 0.0112865400000000, -0.0069654400000000 ] - [ -0.0293009400000000, 0.0106943600000000, 0.0070817300000000 ] - [ -0.0291796200000000, 0.0108548900000000, 0.0070994600000000 ] - [ 0.0117242900000000, 0.0000023300000000, -0.0108025600000000 ] - [ 0.0117728500000000, -0.0000891200000000, -0.0107562200000000 ] - [ -0.0117594700000000, -0.0000157200000000, 0.0104586400000000 ] - [ -0.0116580600000000, 0.0002568900000000, 0.0104995300000000 ] - [ 0.0036869700000000, 0.0006751900000000, -0.0145461100000000 ] - [ 0.0041844500000000, 0.0002652900000000, -0.0166068500000000 ] - [ -0.0044543500000000, -0.0000416800000000, 0.0176150300000000 ] - [ -0.0043819400000000, -0.0000665700000000, 0.0171420500000000 ] - [ 0.0171673600000000, -0.0002599700000000, -0.0037693700000000 ] - [ 0.0107132700000000, -0.0005265400000000, -0.0058711900000000 ] - [ -0.0179371200000000, 0.0006126500000000, 0.0032306400000000 ] - [ 0.0097885600000000, 0.0611012800000000, -0.0205454300000000 ] - [ 0.0140180400000000, 0.0000026000000000, 0.0151282800000000 ] - [ 0.0134889900000000, 0.0000944300000000, 0.0149110000000000 ] - [ -0.0138127500000000, 0.0000335600000000, -0.0153181100000000 ] - [ -0.0143074400000000, 0.0000699500000000, -0.0148510100000000 ] - [ -0.0149717000000000, 0.0332895500000000, -0.0025788200000000 ] - [ -0.0154670300000000, 0.0332829400000000, -0.0028859900000000 ] - [ 0.0153209100000000, 0.0352237800000000, 0.0033709100000000 ] - [ 0.0147558900000000, 0.0352410700000000, 0.0029752300000000 ] - [ 0.0158116400000000, -0.0366013400000000, 0.0033256200000000 ] - [ 0.0155728600000000, -0.0342679500000000, 0.0030451100000000 ] - [ -0.0149131300000000, -0.0327866600000000, -0.0031726600000000 ] - [ -0.0154787400000000, -0.0337662500000000, -0.0028782800000000 ] - [ -0.0294505700000000, -0.0312738600000000, 0.0346968300000000 ] - [ -0.0292264200000000, -0.0312642100000000, 0.0342835800000000 ] - [ 0.0293994600000000, -0.0307702800000000, -0.0345718100000000 ] - [ 0.0294384100000000, -0.0310247700000000, -0.0343106200000000 ] - [ 0.0294126500000000, 0.0306589100000000, -0.0345749200000000 ] - [ 0.0294211900000000, 0.0310956900000000, -0.0344383800000000 ] - [ -0.0293811900000000, 0.0313822400000000, 0.0345209800000000 ] - [ -0.0295151300000000, 0.0310466000000000, 0.0344835900000000 ] - [ -0.0008540900000000, 0.0101940900000000, 0.0119809300000000 ] - [ -0.0006060000000000, 0.0100312700000000, 0.0119238600000000 ] - [ 0.0004254700000000, 0.0102144100000000, -0.0121390300000000 ] - [ 0.0009427600000000, 0.0101684800000000, -0.0122198000000000 ] - [ 0.0006847900000000, -0.0099371500000000, -0.0120265400000000 ] - [ 0.0005944600000000, -0.0104444800000000, -0.0121726600000000 ] - [ -0.0007868000000000, -0.0102134500000000, 0.0119135400000000 ] - [ -0.0006477400000000, -0.0099205300000000, 0.0120662500000000 ] - [ -0.0115121300000000, -0.0000622500000000, 0.0167127000000000 ] - [ -0.0115234500000000, 0.0001985500000000, 0.0168866500000000 ] - [ 0.0115590400000000, 0.0000110500000000, -0.0167135000000000 ] - [ 0.0114992500000000, -0.0000359000000000, -0.0166644900000000 ] - [ -0.0377790500000000, -0.0000747000000000, 0.0129804800000000 ] - [ -0.0377014200000000, 0.0000400100000000, 0.0130271500000000 ] - [ 0.0379224800000000, -0.0000356400000000, -0.0131998800000000 ] - [ 0.0376430700000000, -0.0000730300000000, -0.0130630900000000 ] - [ -0.0197911500000000, -0.0000385300000000, 0.0120616300000000 ] - [ -0.0181070500000000, -0.0005026100000000, 0.0129075200000000 ] - [ 0.0200330700000000, -0.0000866000000000, -0.0118793800000000 ] - [ 0.0200778300000000, 0.0002998000000000, -0.0113035300000000 ] - [ -0.0162240000000000, -0.0000153800000000, 0.0202203700000000 ] - [ -0.0161404100000000, -0.0000428600000000, 0.0202916200000000 ] - [ 0.0162162300000000, -0.0000088400000000, -0.0202123600000000 ] - [ 0.0163686800000000, -0.0000304000000000, -0.0200513100000000 ] - [ -0.0115684600000000, 0.0000625300000000, 0.0167188900000000 ] - [ -0.0115546100000000, -0.0000070600000000, 0.0166913200000000 ] - [ 0.0115209200000000, 0.0000060700000000, -0.0166629200000000 ] - [ 0.0115776400000000, 0.0000115400000000, -0.0166132200000000 ] - [ -0.0377698300000000, -0.0000714800000000, 0.0130250600000000 ] - [ -0.0367507100000000, -0.0006700100000000, 0.0115468600000000 ] - [ 0.0378139100000000, 0.0000058300000000, -0.0130430800000000 ] - [ 0.0379174100000000, -0.0000021000000000, -0.0131235200000000 ] - [ -0.0185351500000000, -0.0001890300000000, 0.0125950200000000 ] - [ -0.0197440400000000, 0.0000463600000000, 0.0120426800000000 ] - [ 0.0064857000000000, 0.0299129100000000, -0.0030694300000000 ] - [ 0.0193887000000000, 0.0002777400000000, -0.0116210700000000 ] - [ -0.0158557100000000, 0.0000137900000000, 0.0203094000000000 ] - [ -0.0161884100000000, -0.0000056100000000, 0.0201459700000000 ] - [ 0.0161829300000000, -0.0000996800000000, -0.0200877000000000 ] - [ 0.0161789100000000, 0.0000396200000000, -0.0201230300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0412162800000000, 0.0528159200000000, -0.0065246100000000 ] - [ 0.0412715500000000, 0.0526091800000000, -0.0065471200000000 ] - [ -0.0411443100000000, 0.0525646500000000, 0.0066279400000000 ] - [ -0.0412982200000000, 0.0524281200000000, 0.0067066900000000 ] - [ -0.0414902400000000, -0.0524369400000000, 0.0068299600000000 ] - [ -0.0411807700000000, -0.0525614900000000, 0.0066377400000000 ] - [ 0.0427558500000000, -0.0525184000000000, -0.0072619500000000 ] - [ 0.0412389300000000, -0.0526771800000000, -0.0064844700000000 ] - [ -0.0291623500000000, -0.0106406600000000, 0.0072281100000000 ] - [ -0.0286600400000000, -0.0114207900000000, 0.0073477400000000 ] - [ 0.0290642100000000, -0.0106592200000000, -0.0070635200000000 ] - [ 0.0293220200000000, -0.0105720400000000, -0.0068731800000000 ] - [ 0.0291473300000000, 0.0108933200000000, -0.0071995700000000 ] - [ 0.0292231900000000, 0.0107000700000000, -0.0071386400000000 ] - [ -0.0314753200000000, 0.0113420200000000, 0.0081797900000000 ] - [ -0.0289850400000000, 0.0110865600000000, 0.0071579700000000 ] - [ 0.0117354200000000, 0.0000255900000000, -0.0106733300000000 ] - [ 0.0117254400000000, -0.0000155700000000, -0.0106785200000000 ] - [ -0.0119060600000000, 0.0000106100000000, 0.0107418200000000 ] - [ -0.0118182000000000, -0.0000019300000000, 0.0107084900000000 ] - [ 0.0045223200000000, 0.0000145300000000, -0.0170403500000000 ] - [ 0.0043945900000000, -0.0001700700000000, -0.0174605900000000 ] - [ -0.0043923400000000, -0.0001005900000000, 0.0169897200000000 ] - [ -0.0038872500000000, 0.0001459900000000, 0.0169225500000000 ] - [ 0.0211478200000000, -0.0013990500000000, -0.0026496400000000 ] - [ 0.0187876300000000, 0.0000175700000000, -0.0034944700000000 ] - [ -0.0183304400000000, -0.0014376600000000, 0.0038207800000000 ] - [ -0.0176232100000000, 0.0004991700000000, 0.0037200800000000 ] - [ 0.0139731000000000, -0.0000201100000000, 0.0151969400000000 ] - [ 0.0138505000000000, 0.0000872300000000, 0.0151555000000000 ] - [ -0.0138221900000000, -0.0001568200000000, -0.0151457400000000 ] - [ -0.0140112600000000, 0.0000005300000000, -0.0151357500000000 ] - [ -0.0106336300000000, 0.1755448700000000, -0.0001326100000000 ] - [ -0.0158268600000000, 0.0330946600000000, -0.0030709400000000 ] - [ 0.0130935500000000, 0.0220471400000000, 0.0013652000000000 ] - [ 0.0153846100000000, 0.0340412300000000, 0.0030780000000000 ] - [ 0.0147972200000000, -0.0329439300000000, 0.0029437500000000 ] - [ 0.0143062000000000, -0.0326901700000000, 0.0027643100000000 ] - [ -0.0158569400000000, -0.0422677400000000, -0.0029345700000000 ] - [ -0.0160347800000000, -0.0465772700000000, -0.0050303400000000 ] - [ -0.0300652800000000, -0.0309285200000000, 0.0351433400000000 ] - [ -0.0294638500000000, -0.0310414600000000, 0.0343298800000000 ] - [ 0.0298835600000000, -0.0312683500000000, -0.0346757800000000 ] - [ 0.0294014800000000, -0.0311720900000000, -0.0343920600000000 ] - [ 0.0293865400000000, 0.0311443700000000, -0.0343971100000000 ] - [ 0.0294968000000000, 0.0311378900000000, -0.0344537100000000 ] - [ -0.0293602400000000, 0.0310371700000000, 0.0344042000000000 ] - [ -0.0294830400000000, 0.0308113400000000, 0.0344452200000000 ] - [ 0.0010232400000000, -0.0047054200000000, 0.0004046300000000 ] - [ -0.0006644900000000, 0.0101803800000000, 0.0116304000000000 ] - [ 0.0017137900000000, 0.0099628600000000, -0.0101477000000000 ] - [ 0.0006921100000000, 0.0101290600000000, -0.0121228600000000 ] - [ 0.0006249300000000, -0.0101815600000000, -0.0120811600000000 ] - [ 0.0012641000000000, -0.0106972600000000, -0.0116917500000000 ] - [ -0.0005210200000000, -0.0095568900000000, 0.0122750000000000 ] - [ 0.0000404700000000, -0.0142223400000000, 0.0085779800000000 ] - [ 0.0411917700000000, 0.0526158000000000, -0.0066473000000000 ] - [ 0.0412207200000000, 0.0525976500000000, -0.0066488900000000 ] - [ -0.0412792800000000, 0.0520220900000000, 0.0062686100000000 ] - [ -0.0413999700000000, 0.0523916500000000, 0.0066861900000000 ] - [ -0.0413378600000000, -0.0523152700000000, 0.0064814700000000 ] - [ -0.0412289900000000, -0.0518858300000000, 0.0065946100000000 ] - [ 0.0411709400000000, -0.0525845800000000, -0.0066281100000000 ] - [ 0.0412356900000000, -0.0526366600000000, -0.0066084400000000 ] - [ -0.0291790900000000, -0.0109004400000000, 0.0072933700000000 ] - [ -0.0291757000000000, -0.0108605300000000, 0.0071786400000000 ] - [ 0.0293204900000000, -0.0090347100000000, -0.0064678100000000 ] - [ 0.0293485000000000, -0.0108838600000000, -0.0070885500000000 ] - [ 0.0297584700000000, 0.0099478200000000, -0.0071424700000000 ] - [ 0.0295906800000000, 0.0103662800000000, -0.0072798100000000 ] - [ -0.0291972600000000, 0.0109488300000000, 0.0071677000000000 ] - [ -0.0293220500000000, 0.0107836600000000, 0.0071526000000000 ] - [ 0.0117135700000000, -0.0000030800000000, -0.0106792000000000 ] - [ 0.0116653400000000, 0.0000897500000000, -0.0107230700000000 ] - [ -0.0116756500000000, 0.0000154800000000, 0.0110291500000000 ] - [ -0.0117766000000000, -0.0002588000000000, 0.0109902900000000 ] - [ 0.0051265500000000, -0.0006639900000000, -0.0195861900000000 ] - [ 0.0046418100000000, -0.0002631900000000, -0.0174695700000000 ] - [ -0.0043761900000000, 0.0000436900000000, 0.0164667500000000 ] - [ -0.0044453200000000, 0.0000662300000000, 0.0169407700000000 ] - [ 0.0186835800000000, 0.0002656100000000, -0.0033331900000000 ] - [ 0.0250843100000000, 0.0005110900000000, -0.0012454400000000 ] - [ -0.0179153600000000, -0.0006187900000000, 0.0038787400000000 ] - [ -0.0441666800000000, -0.0591940500000000, 0.0264637700000000 ] - [ 0.0138262500000000, -0.0000020500000000, 0.0151722600000000 ] - [ 0.0143462000000000, -0.0000954100000000, 0.0153827000000000 ] - [ -0.0140344600000000, -0.0000332200000000, -0.0149812000000000 ] - [ -0.0135302400000000, -0.0000735000000000, -0.0154609600000000 ] - [ -0.0158253000000000, 0.0352018900000000, -0.0035442400000000 ] - [ -0.0153336100000000, 0.0351946500000000, -0.0032385000000000 ] - [ 0.0154719900000000, 0.0332313700000000, 0.0027387000000000 ] - [ 0.0160438800000000, 0.0332480900000000, 0.0031476500000000 ] - [ 0.0149666300000000, -0.0318663900000000, 0.0027796300000000 ] - [ 0.0152204800000000, -0.0342151700000000, 0.0030772700000000 ] - [ -0.0158803700000000, -0.0356925300000000, -0.0029462700000000 ] - [ -0.0153181000000000, -0.0347151300000000, -0.0032441500000000 ] - [ -0.0294981200000000, -0.0308447200000000, 0.0341779500000000 ] - [ -0.0297266200000000, -0.0308560200000000, 0.0345947900000000 ] - [ 0.0295481900000000, -0.0313541700000000, -0.0343007000000000 ] - [ 0.0295095100000000, -0.0310920400000000, -0.0345682700000000 ] - [ 0.0295358000000000, 0.0314629100000000, -0.0343006800000000 ] - [ 0.0295283600000000, 0.0310259400000000, -0.0344412900000000 ] - [ -0.0295685200000000, 0.0307378500000000, 0.0343518000000000 ] - [ -0.0294331400000000, 0.0310737000000000, 0.0343917100000000 ] - [ -0.0004053000000000, 0.0100043500000000, 0.0121401400000000 ] - [ -0.0006544400000000, 0.0101699900000000, 0.0121919500000000 ] - [ 0.0008388700000000, 0.0099872300000000, -0.0119815900000000 ] - [ 0.0003193700000000, 0.0100282200000000, -0.0118935500000000 ] - [ 0.0005809600000000, -0.0102643600000000, -0.0120922500000000 ] - [ 0.0006656900000000, -0.0097535800000000, -0.0119462800000000 ] - [ -0.0004701200000000, -0.0099877200000000, 0.0122080300000000 ] - [ -0.0006136900000000, -0.0102779800000000, 0.0120518600000000 ] - [ -0.0115658600000000, 0.0000704100000000, 0.0166745000000000 ] - [ -0.0115577600000000, -0.0001917000000000, 0.0165060000000000 ] - [ 0.0115180700000000, -0.0000173200000000, -0.0166755900000000 ] - [ 0.0115783700000000, 0.0000297100000000, -0.0167241900000000 ] - [ -0.0377311300000000, 0.0000784200000000, 0.0131441800000000 ] - [ -0.0378098200000000, -0.0000379300000000, 0.0130984400000000 ] - [ 0.0375805200000000, 0.0000352800000000, -0.0129242600000000 ] - [ 0.0378658700000000, 0.0000654900000000, -0.0130624200000000 ] - [ -0.0200392900000000, 0.0000465600000000, 0.0119600700000000 ] - [ -0.0216921000000000, 0.0005258200000000, 0.0111329300000000 ] - [ 0.0197951200000000, 0.0000814700000000, -0.0121448000000000 ] - [ 0.0197478900000000, -0.0002997000000000, -0.0127168100000000 ] - [ -0.0162004500000000, 0.0000228900000000, 0.0201862900000000 ] - [ -0.0162856300000000, 0.0000515900000000, 0.0201159300000000 ] - [ 0.0162088300000000, 0.0000010900000000, -0.0201956800000000 ] - [ 0.0160592000000000, 0.0000243600000000, -0.0203522800000000 ] - [ -0.0115085600000000, -0.0000577400000000, 0.0166692800000000 ] - [ -0.0115248200000000, 0.0000140400000000, 0.0166974500000000 ] - [ 0.0115570700000000, -0.0000130700000000, -0.0167217500000000 ] - [ 0.0115004500000000, -0.0000160500000000, -0.0167745200000000 ] - [ -0.0377406800000000, 0.0000757300000000, 0.0130995000000000 ] - [ -0.0387536500000000, 0.0006809800000000, 0.0145536000000000 ] - [ 0.0376948700000000, -0.0000099100000000, -0.0130812500000000 ] - [ 0.0375929500000000, 0.0000014100000000, -0.0130030800000000 ] - [ -0.0213030000000000, 0.0001929700000000, 0.0114322900000000 ] - [ -0.0200860100000000, -0.0000371400000000, 0.0119802000000000 ] - [ 0.0342088700000000, -0.0312410000000000, -0.0215721800000000 ] - [ 0.0204365600000000, -0.0002634100000000, -0.0123969000000000 ] - [ -0.0165738400000000, -0.0000063000000000, 0.0200960500000000 ] - [ -0.0162369800000000, 0.0000127100000000, 0.0202642700000000 ] - [ 0.0162427000000000, 0.0000933400000000, -0.0203215900000000 ] - [ 0.0162482200000000, -0.0000476200000000, -0.0202865000000000 ]- atom: 33 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0413571600000000, 0.0524395100000000, -0.0066628300000000 ] - [ 0.0413629100000000, 0.0525854700000000, -0.0066027200000000 ] - [ -0.0413032300000000, 0.0525022300000000, 0.0066840400000000 ] - [ -0.0412818900000000, 0.0525316600000000, 0.0067308800000000 ] - [ -0.0398223900000000, -0.0525800000000000, 0.0064048200000000 ] - [ -0.0412347800000000, -0.0525103900000000, 0.0067438200000000 ] - [ 0.0406159200000000, -0.0525806900000000, -0.0050935800000000 ] - [ 0.0412881000000000, -0.0525920400000000, -0.0065683700000000 ] - [ -0.0297085600000000, -0.0109894600000000, 0.0069935600000000 ] - [ -0.0300914900000000, -0.0113203100000000, 0.0072750600000000 ] - [ 0.0293274900000000, -0.0108747700000000, -0.0071356200000000 ] - [ 0.0294334400000000, -0.0107345200000000, -0.0071904300000000 ] - [ 0.0280995900000000, 0.0097169500000000, -0.0044903500000000 ] - [ 0.0292460800000000, 0.0108280500000000, -0.0071181400000000 ] - [ -0.0252397100000000, 0.0086670100000000, 0.0092483300000000 ] - [ -0.0293923100000000, 0.0111336100000000, 0.0070698800000000 ] - [ 0.0117676300000000, 0.0001075000000000, -0.0108540700000000 ] - [ 0.0115172100000000, -0.0000802200000000, -0.0107631300000000 ] - [ -0.0116244900000000, -0.0000245000000000, 0.0107589900000000 ] - [ -0.0117188600000000, 0.0000197700000000, 0.0106781700000000 ] - [ 0.0044070300000000, -0.0000140500000000, -0.0170237300000000 ] - [ 0.0044476100000000, 0.0000776800000000, -0.0163457500000000 ] - [ -0.0043247500000000, 0.0000258200000000, 0.0169960600000000 ] - [ -0.0043550600000000, -0.0003793100000000, 0.0162541100000000 ] - [ 0.0172860400000000, 0.0015058700000000, -0.0041502100000000 ] - [ 0.0178760000000000, -0.0002334700000000, -0.0041538900000000 ] - [ -0.0182207400000000, -0.0005419500000000, 0.0039965000000000 ] - [ -0.0178738400000000, 0.0002644800000000, 0.0039592600000000 ] - [ 0.0138861700000000, -0.0000009000000000, 0.0152864000000000 ] - [ 0.0139689700000000, 0.0000359200000000, 0.0151649100000000 ] - [ -0.0139012400000000, 0.0000681500000000, -0.0151866400000000 ] - [ -0.0140885200000000, -0.0002310700000000, -0.0151492800000000 ] - [ 0.0367802100000000, 0.0331814500000000, -0.1363005500000000 ] - [ -0.0151171600000000, 0.0341171700000000, -0.0035491400000000 ] - [ 0.0059624000000000, 0.0333560400000000, 0.0127502000000000 ] - [ 0.0153298400000000, 0.0342604700000000, 0.0033348600000000 ] - [ 0.0155670900000000, -0.0343125300000000, 0.0036069700000000 ] - [ 0.0151007200000000, -0.0342863300000000, 0.0023608400000000 ] - [ -0.0151879300000000, -0.0339816700000000, -0.0031795800000000 ] - [ -0.0133972400000000, -0.0359745400000000, -0.0004854700000000 ] - [ -0.0291107700000000, -0.0309973100000000, 0.0339091900000000 ] - [ -0.0294960900000000, -0.0309427300000000, 0.0344835500000000 ] - [ 0.0288289600000000, -0.0311568200000000, -0.0336761000000000 ] - [ 0.0294724100000000, -0.0311474600000000, -0.0344756600000000 ] - [ 0.0295440100000000, 0.0311053500000000, -0.0344936800000000 ] - [ 0.0295240700000000, 0.0310919000000000, -0.0344942400000000 ] - [ -0.0295572500000000, 0.0310247700000000, 0.0344644600000000 ] - [ -0.0295183600000000, 0.0311647600000000, 0.0345612800000000 ] - [ -0.0142328000000000, 0.0278485600000000, 0.0857289700000000 ] - [ -0.0006586800000000, 0.0099309600000000, 0.0121573300000000 ] - [ 0.0091065700000000, 0.0108552300000000, -0.0090765200000000 ] - [ 0.0006420600000000, 0.0101353100000000, -0.0120559700000000 ] - [ 0.0006037700000000, -0.0100751500000000, -0.0119674800000000 ] - [ 0.0004173000000000, -0.0099492200000000, -0.0112097400000000 ] - [ -0.0006606200000000, -0.0102506900000000, 0.0115590500000000 ] - [ -0.0025810900000000, 0.0012721400000000, 0.0117338600000000 ] - [ 0.0413213000000000, 0.0525958600000000, -0.0067874200000000 ] - [ 0.0412288200000000, 0.0525630300000000, -0.0066818900000000 ] - [ -0.0412472500000000, 0.0525703200000000, 0.0067519600000000 ] - [ -0.0414640600000000, 0.0523865300000000, 0.0067046200000000 ] - [ -0.0417080900000000, -0.0518257300000000, 0.0065161600000000 ] - [ -0.0414178800000000, -0.0528939500000000, 0.0067445500000000 ] - [ 0.0412773500000000, -0.0525616600000000, -0.0066606700000000 ] - [ 0.0412394300000000, -0.0525787500000000, -0.0067048300000000 ] - [ -0.0293676800000000, -0.0108889500000000, 0.0070375100000000 ] - [ -0.0292718800000000, -0.0108751300000000, 0.0069735300000000 ] - [ 0.0294177600000000, -0.0110702200000000, -0.0075065400000000 ] - [ 0.0292038700000000, -0.0108683600000000, -0.0070163100000000 ] - [ 0.0295159300000000, 0.0102282000000000, -0.0057311700000000 ] - [ 0.0281340500000000, 0.0103120000000000, -0.0062881300000000 ] - [ -0.0292095700000000, 0.0107497000000000, 0.0070686600000000 ] - [ -0.0291893000000000, 0.0108952300000000, 0.0071932300000000 ] - [ 0.0117300400000000, 0.0000066000000000, -0.0107174700000000 ] - [ 0.0117499400000000, -0.0000319200000000, -0.0107418500000000 ] - [ -0.0116256100000000, -0.0000315900000000, 0.0111136400000000 ] - [ -0.0116520500000000, 0.0000224700000000, 0.0105162100000000 ] - [ 0.0023292800000000, 0.0039840900000000, -0.0136602400000000 ] - [ 0.0040350100000000, -0.0001317800000000, -0.0170371300000000 ] - [ -0.0046065100000000, 0.0000285700000000, 0.0166743000000000 ] - [ -0.0044566000000000, -0.0000187400000000, 0.0169592800000000 ] - [ 0.0177586000000000, -0.0000554800000000, -0.0038581300000000 ] - [ 0.0147601900000000, 0.0000419100000000, -0.0050750700000000 ] - [ -0.0182637500000000, -0.0000472900000000, 0.0040690400000000 ] - [ -0.0396452400000000, -0.0349553800000000, 0.0282870600000000 ] - [ 0.0139394100000000, 0.0001052400000000, 0.0151096900000000 ] - [ 0.0141088000000000, 0.0000460800000000, 0.0149544500000000 ] - [ -0.0139477100000000, 0.0000640400000000, -0.0152252000000000 ] - [ -0.0143763700000000, 0.0006352600000000, -0.0149889300000000 ] - [ -0.0154178400000000, 0.0344345400000000, -0.0034131800000000 ] - [ -0.0159532000000000, 0.0345729800000000, -0.0035841400000000 ] - [ 0.0149195500000000, 0.0341241000000000, 0.0031174200000000 ] - [ 0.0162462800000000, 0.0339191500000000, 0.0035323000000000 ] - [ 0.0153385800000000, -0.0341062800000000, 0.0037529000000000 ] - [ 0.0150086000000000, -0.0343095800000000, 0.0037472300000000 ] - [ -0.0150552700000000, -0.0339872200000000, -0.0034796800000000 ] - [ -0.0151677900000000, -0.0344408700000000, -0.0031941400000000 ] - [ -0.0295963000000000, -0.0311323200000000, 0.0344270200000000 ] - [ -0.0291845300000000, -0.0310335300000000, 0.0345435700000000 ] - [ 0.0293800200000000, -0.0311689300000000, -0.0346476900000000 ] - [ 0.0293993000000000, -0.0310360900000000, -0.0346363100000000 ] - [ 0.0294819000000000, 0.0310334600000000, -0.0344987300000000 ] - [ 0.0294178200000000, 0.0310036400000000, -0.0345046000000000 ] - [ -0.0293676100000000, 0.0310453100000000, 0.0345246100000000 ] - [ -0.0294828400000000, 0.0310275700000000, 0.0345950200000000 ] - [ -0.0006705000000000, 0.0102087100000000, 0.0119478200000000 ] - [ -0.0005581000000000, 0.0099725600000000, 0.0118219600000000 ] - [ 0.0008705500000000, 0.0099955000000000, -0.0119731900000000 ] - [ 0.0011167100000000, 0.0100059200000000, -0.0115643600000000 ] - [ 0.0005918600000000, -0.0101507200000000, -0.0118884400000000 ] - [ 0.0005688000000000, -0.0103936000000000, -0.0121585700000000 ] - [ -0.0006635000000000, -0.0100458200000000, 0.0119016400000000 ] - [ -0.0007155500000000, -0.0100539800000000, 0.0119712300000000 ] - [ -0.0115566900000000, 0.0000505100000000, 0.0167818500000000 ] - [ -0.0114882700000000, 0.0000149100000000, 0.0166558800000000 ] - [ 0.0115514300000000, 0.0000095300000000, -0.0167117400000000 ] - [ 0.0115191300000000, -0.0000029200000000, -0.0166422900000000 ] - [ -0.0378744000000000, -0.0000026000000000, 0.0129936000000000 ] - [ -0.0378189400000000, -0.0000479000000000, 0.0131158500000000 ] - [ 0.0378913500000000, -0.0000350900000000, -0.0129131100000000 ] - [ 0.0381204600000000, 0.0002516000000000, -0.0129811300000000 ] - [ -0.0199421200000000, -0.0000862600000000, 0.0119652600000000 ] - [ -0.0214237100000000, 0.0005534800000000, 0.0117061800000000 ] - [ 0.0198776000000000, -0.0000289500000000, -0.0119994900000000 ] - [ 0.0198827600000000, 0.0002198400000000, -0.0118316800000000 ] - [ -0.0162054700000000, -0.0000027700000000, 0.0202306900000000 ] - [ -0.0160793500000000, -0.0000677700000000, 0.0203130100000000 ] - [ 0.0162289500000000, -0.0000274000000000, -0.0202298600000000 ] - [ 0.0159277100000000, -0.0001776200000000, -0.0202050300000000 ] - [ -0.0115685600000000, -0.0000110000000000, 0.0167615500000000 ] - [ -0.0114719700000000, -0.0000097300000000, 0.0167407100000000 ] - [ 0.0115940200000000, -0.0000145400000000, -0.0167642700000000 ] - [ 0.0115059700000000, 0.0000057600000000, -0.0166091100000000 ] - [ -0.0377404500000000, -0.0000313900000000, 0.0130767200000000 ] - [ -0.0391251300000000, -0.0009210400000000, 0.0148962400000000 ] - [ 0.0377884700000000, 0.0000525700000000, -0.0130715800000000 ] - [ 0.0382352300000000, -0.0003440900000000, -0.0133618100000000 ] - [ -0.0207803400000000, -0.0000225300000000, 0.0117617100000000 ] - [ -0.0200830600000000, 0.0000226500000000, 0.0119017300000000 ] - [ 0.0131702800000000, 0.0091179000000000, -0.0037668900000000 ] - [ 0.0200314300000000, 0.0005942700000000, -0.0117748300000000 ] - [ -0.0161773400000000, 0.0000040300000000, 0.0202798600000000 ] - [ -0.0161983900000000, 0.0000226900000000, 0.0202309800000000 ] - [ 0.0161804100000000, -0.0000459400000000, -0.0201322300000000 ] - [ 0.0161548900000000, -0.0000166500000000, -0.0201919100000000 ]- atom: 33 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0411427700000000, 0.0526895200000000, -0.0066308600000000 ] - [ 0.0411352000000000, 0.0525351700000000, -0.0067019200000000 ] - [ -0.0411962100000000, 0.0526251400000000, 0.0066111900000000 ] - [ -0.0412203400000000, 0.0525961200000000, 0.0065675600000000 ] - [ -0.0426840300000000, -0.0525514500000000, 0.0068941600000000 ] - [ -0.0412662000000000, -0.0526171500000000, 0.0065512800000000 ] - [ 0.0418970100000000, -0.0525391200000000, -0.0081779900000000 ] - [ 0.0412102600000000, -0.0525365800000000, -0.0067230200000000 ] - [ -0.0287933300000000, -0.0106550500000000, 0.0072578700000000 ] - [ -0.0284511800000000, -0.0103101400000000, 0.0069711300000000 ] - [ 0.0291762700000000, -0.0107682900000000, -0.0071170000000000 ] - [ 0.0290730200000000, -0.0109120000000000, -0.0070614300000000 ] - [ 0.0303921200000000, 0.0119304200000000, -0.0097778200000000 ] - [ 0.0292583900000000, 0.0108153800000000, -0.0071347600000000 ] - [ -0.0332814900000000, 0.0129598000000000, 0.0050421300000000 ] - [ -0.0291084200000000, 0.0105098800000000, 0.0071803100000000 ] - [ 0.0116774900000000, -0.0001051800000000, -0.0106296900000000 ] - [ 0.0119230900000000, 0.0000819200000000, -0.0107180600000000 ] - [ -0.0118173900000000, 0.0000235000000000, 0.0107208900000000 ] - [ -0.0117200800000000, -0.0000194000000000, 0.0108040900000000 ] - [ 0.0044252300000000, 0.0000153500000000, -0.0170595300000000 ] - [ 0.0043801600000000, -0.0000802900000000, -0.0177399900000000 ] - [ -0.0045093000000000, -0.0000239600000000, 0.0170880900000000 ] - [ -0.0045092700000000, 0.0003698600000000, 0.0178150600000000 ] - [ 0.0185617500000000, -0.0014722100000000, -0.0029343400000000 ] - [ 0.0179751900000000, 0.0002286900000000, -0.0029517300000000 ] - [ -0.0176303900000000, 0.0005397700000000, 0.0031088100000000 ] - [ -0.0179726200000000, -0.0002633600000000, 0.0031493500000000 ] - [ 0.0139615900000000, 0.0000026200000000, 0.0150099700000000 ] - [ 0.0138774300000000, -0.0000377600000000, 0.0151309400000000 ] - [ -0.0139436100000000, -0.0000689800000000, -0.0151094000000000 ] - [ -0.0137585900000000, 0.0002314100000000, -0.0151458500000000 ] - [ -0.0679772500000000, 0.0334569000000000, 0.1267835400000000 ] - [ -0.0156884300000000, 0.0343577700000000, -0.0025775100000000 ] - [ 0.0251003600000000, 0.0351449400000000, -0.0064673900000000 ] - [ 0.0154668600000000, 0.0342196600000000, 0.0027885800000000 ] - [ 0.0152228300000000, -0.0341732700000000, 0.0025185000000000 ] - [ 0.0156938000000000, -0.0342017700000000, 0.0037556200000000 ] - [ -0.0156392500000000, -0.0344749300000000, -0.0029427000000000 ] - [ -0.0174227900000000, -0.0325884300000000, -0.0056084200000000 ] - [ -0.0298526700000000, -0.0311333000000000, 0.0349806700000000 ] - [ -0.0294530700000000, -0.0311820200000000, 0.0343938200000000 ] - [ 0.0301317000000000, -0.0309670400000000, -0.0352052800000000 ] - [ 0.0294771800000000, -0.0309765800000000, -0.0344015100000000 ] - [ 0.0294067000000000, 0.0310191600000000, -0.0343842800000000 ] - [ 0.0294289300000000, 0.0310298600000000, -0.0343844700000000 ] - [ -0.0293930000000000, 0.0311002100000000, 0.0344114200000000 ] - [ -0.0294341900000000, 0.0309635000000000, 0.0343155900000000 ] - [ 0.0124269200000000, -0.0064145100000000, -0.0581056700000000 ] - [ -0.0006006100000000, 0.0102780100000000, 0.0119670100000000 ] - [ -0.0078819900000000, 0.0093652700000000, -0.0150376400000000 ] - [ 0.0006170700000000, 0.0100667400000000, -0.0120612800000000 ] - [ 0.0006533100000000, -0.0101269700000000, -0.0121506000000000 ] - [ 0.0008512300000000, -0.0102374300000000, -0.0129121000000000 ] - [ -0.0006002600000000, -0.0099543100000000, 0.0125708200000000 ] - [ 0.0013360200000000, -0.0214037600000000, 0.0124717000000000 ] - [ 0.0411792500000000, 0.0525296000000000, -0.0065082600000000 ] - [ 0.0412708000000000, 0.0525641600000000, -0.0066144500000000 ] - [ -0.0412557600000000, 0.0525603700000000, 0.0065454100000000 ] - [ -0.0410378700000000, 0.0527374000000000, 0.0065902800000000 ] - [ -0.0407913000000000, -0.0533035500000000, 0.0067796100000000 ] - [ -0.0410799000000000, -0.0522418500000000, 0.0065516800000000 ] - [ 0.0412229000000000, -0.0525644300000000, -0.0066339300000000 ] - [ 0.0412621600000000, -0.0525457500000000, -0.0065887500000000 ] - [ -0.0291378500000000, -0.0107547900000000, 0.0072192600000000 ] - [ -0.0292323400000000, -0.0107686600000000, 0.0072793800000000 ] - [ 0.0290948700000000, -0.0105839700000000, -0.0067547200000000 ] - [ 0.0292972400000000, -0.0107778400000000, -0.0072331900000000 ] - [ 0.0289840400000000, 0.0114171500000000, -0.0085294800000000 ] - [ 0.0303608700000000, 0.0113422800000000, -0.0079697000000000 ] - [ -0.0292923800000000, 0.0108909300000000, 0.0071814500000000 ] - [ -0.0293110900000000, 0.0107459000000000, 0.0070632100000000 ] - [ 0.0117113800000000, -0.0000068700000000, -0.0107647200000000 ] - [ 0.0116925000000000, 0.0000333300000000, -0.0107416500000000 ] - [ -0.0118150200000000, 0.0000320700000000, 0.0103676400000000 ] - [ -0.0117854700000000, -0.0000194400000000, 0.0109634500000000 ] - [ 0.0065223200000000, -0.0040214600000000, -0.0205059600000000 ] - [ 0.0047941600000000, 0.0001299100000000, -0.0170542600000000 ] - [ -0.0042242300000000, -0.0000198400000000, 0.0174092300000000 ] - [ -0.0043721800000000, 0.0000192300000000, 0.0171246000000000 ] - [ 0.0180919700000000, 0.0000581900000000, -0.0032510800000000 ] - [ 0.0210672600000000, -0.0000589900000000, -0.0020558200000000 ] - [ -0.0175662500000000, 0.0000520100000000, 0.0030273500000000 ] - [ 0.0043705200000000, 0.0358909700000000, -0.0213556100000000 ] - [ 0.0139049800000000, -0.0001063100000000, 0.0151880500000000 ] - [ 0.0137337300000000, -0.0000458800000000, 0.0153307600000000 ] - [ -0.0138979400000000, -0.0000653500000000, -0.0150714400000000 ] - [ -0.0134591500000000, -0.0006374300000000, -0.0153076400000000 ] - [ -0.0153829100000000, 0.0340591400000000, -0.0027069100000000 ] - [ -0.0148488300000000, 0.0339086300000000, -0.0025417600000000 ] - [ 0.0158602800000000, 0.0343464000000000, 0.0029997700000000 ] - [ 0.0145557600000000, 0.0345682100000000, 0.0025876600000000 ] - [ 0.0154602400000000, -0.0343745300000000, 0.0023689300000000 ] - [ 0.0157841000000000, -0.0341737900000000, 0.0023810800000000 ] - [ -0.0157386000000000, -0.0344942700000000, -0.0026423600000000 ] - [ -0.0156321400000000, -0.0340443200000000, -0.0029267200000000 ] - [ -0.0293523400000000, -0.0309907500000000, 0.0344482700000000 ] - [ -0.0297762900000000, -0.0310934200000000, 0.0343412800000000 ] - [ 0.0295686300000000, -0.0309516400000000, -0.0342254400000000 ] - [ 0.0295438200000000, -0.0310835000000000, -0.0342400000000000 ] - [ 0.0294657400000000, 0.0310870100000000, -0.0343798400000000 ] - [ 0.0295319300000000, 0.0311193100000000, -0.0343750000000000 ] - [ -0.0295836500000000, 0.0310835100000000, 0.0343528100000000 ] - [ -0.0294659600000000, 0.0310950700000000, 0.0342814600000000 ] - [ -0.0005895100000000, 0.0099946700000000, 0.0121715500000000 ] - [ -0.0007001700000000, 0.0102283000000000, 0.0122936300000000 ] - [ 0.0003908200000000, 0.0102105200000000, -0.0121473300000000 ] - [ 0.0001458100000000, 0.0101948300000000, -0.0125481000000000 ] - [ 0.0006699300000000, -0.0100560000000000, -0.0122306400000000 ] - [ 0.0006901600000000, -0.0098088800000000, -0.0119610200000000 ] - [ -0.0005943900000000, -0.0101590300000000, 0.0122173200000000 ] - [ -0.0005446600000000, -0.0101479500000000, 0.0121454900000000 ] - [ -0.0115217300000000, -0.0000455200000000, 0.0166033900000000 ] - [ -0.0115900800000000, -0.0000035300000000, 0.0167475200000000 ] - [ 0.0115276900000000, -0.0000157300000000, -0.0166738400000000 ] - [ 0.0115590000000000, -0.0000032400000000, -0.0167451000000000 ] - [ -0.0376372200000000, 0.0000064500000000, 0.0131285800000000 ] - [ -0.0376937500000000, 0.0000517700000000, 0.0130075400000000 ] - [ 0.0376150000000000, 0.0000386500000000, -0.0132130900000000 ] - [ 0.0373930300000000, -0.0002554800000000, -0.0131390200000000 ] - [ -0.0198862200000000, 0.0000928000000000, 0.0120598600000000 ] - [ -0.0183881600000000, -0.0005430000000000, 0.0123089800000000 ] - [ 0.0199491200000000, 0.0000229900000000, -0.0120270400000000 ] - [ 0.0199472600000000, -0.0002219600000000, -0.0121941400000000 ] - [ -0.0162209900000000, 0.0000107200000000, 0.0201791600000000 ] - [ -0.0163471600000000, 0.0000756000000000, 0.0200981000000000 ] - [ 0.0161974100000000, 0.0000191900000000, -0.0201812800000000 ] - [ 0.0164988000000000, 0.0001657500000000, -0.0202019000000000 ] - [ -0.0115083400000000, 0.0000161900000000, 0.0166250900000000 ] - [ -0.0116065300000000, 0.0000155000000000, 0.0166464500000000 ] - [ 0.0114843000000000, 0.0000079900000000, -0.0166233800000000 ] - [ 0.0115733000000000, -0.0000094600000000, -0.0167774800000000 ] - [ -0.0377711300000000, 0.0000342300000000, 0.0130442700000000 ] - [ -0.0363688800000000, 0.0009613800000000, 0.0112037500000000 ] - [ 0.0377232200000000, -0.0000560800000000, -0.0130508200000000 ] - [ 0.0372941400000000, 0.0003416400000000, -0.0127640400000000 ] - [ -0.0190531800000000, 0.0000188800000000, 0.0122543200000000 ] - [ -0.0197440600000000, -0.0000154400000000, 0.0121249100000000 ] - [ 0.0268958000000000, -0.0095236500000000, -0.0203428800000000 ] - [ 0.0198023500000000, -0.0005853200000000, -0.0122598900000000 ] - [ -0.0162482900000000, 0.0000049200000000, 0.0201290500000000 ] - [ -0.0162279800000000, -0.0000157800000000, 0.0201786300000000 ] - [ 0.0162476400000000, 0.0000414700000000, -0.0202809300000000 ] - [ 0.0162717600000000, 0.0000081700000000, -0.0202174400000000 ]- atom: 41 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0416029300000000, 0.0516325200000000, -0.0063674300000000 ] - [ 0.0402227300000000, 0.0517326900000000, -0.0068296200000000 ] - [ -0.0408463300000000, 0.0527422000000000, 0.0068679500000000 ] - [ -0.0411574400000000, 0.0524436700000000, 0.0067145500000000 ] - [ -0.0443789800000000, -0.0525493400000000, 0.0152222800000000 ] - [ -0.0412851000000000, -0.0525960600000000, 0.0066773500000000 ] - [ 0.1230271200000000, -0.0529970400000000, 0.0109963200000000 ] - [ 0.0412856400000000, -0.0527546300000000, -0.0065331800000000 ] - [ -0.0282900000000000, -0.0110025800000000, 0.0075857900000000 ] - [ -0.0291770800000000, -0.0104130900000000, 0.0073772500000000 ] - [ 0.0291175700000000, -0.0109079600000000, -0.0073266900000000 ] - [ 0.0292188900000000, -0.0106301300000000, -0.0073328900000000 ] - [ 0.0331106800000000, 0.0114400300000000, -0.0074435400000000 ] - [ 0.0292050100000000, 0.0107498100000000, -0.0071623900000000 ] - [ -0.0318815800000000, 0.0099095900000000, 0.0132723200000000 ] - [ -0.0292601300000000, 0.0107967500000000, 0.0071627100000000 ] - [ 0.0168299400000000, 0.0043371300000000, -0.0109646900000000 ] - [ 0.0123287200000000, 0.0000705100000000, -0.0107403600000000 ] - [ -0.0120629800000000, -0.0002088300000000, 0.0107922300000000 ] - [ -0.0116715600000000, 0.0000134200000000, 0.0106883900000000 ] - [ 0.0044896100000000, 0.0000945500000000, -0.0171149300000000 ] - [ 0.0046724200000000, -0.0008599400000000, -0.0175325100000000 ] - [ -0.0045476300000000, 0.0000488700000000, 0.0167606300000000 ] - [ -0.0053144700000000, -0.0003577200000000, 0.0172708200000000 ] - [ 0.0181558400000000, -0.0002388300000000, -0.0036929600000000 ] - [ 0.0179379500000000, 0.0000596000000000, -0.0035936400000000 ] - [ -0.0179807500000000, 0.0000019800000000, 0.0033733100000000 ] - [ -0.0179245300000000, -0.0000314300000000, 0.0036345000000000 ] - [ 0.0130019300000000, 0.0004677500000000, 0.0138833700000000 ] - [ 0.0137919300000000, 0.0000556600000000, 0.0148884100000000 ] - [ 0.0082816400000000, -0.0234724000000000, -0.0289856800000000 ] - [ -0.0131908600000000, -0.0002637600000000, -0.0157500900000000 ] - [ -0.0164100400000000, 0.0348305300000000, -0.0029982200000000 ] - [ -0.0153414000000000, 0.0342336100000000, -0.0030648600000000 ] - [ 0.0165282900000000, 0.0346470500000000, 0.0027355900000000 ] - [ 0.0153943600000000, 0.0341702000000000, 0.0030563200000000 ] - [ 0.0153350600000000, -0.0341558900000000, 0.0031124200000000 ] - [ 0.0154147100000000, -0.0342633800000000, 0.0031154200000000 ] - [ -0.0154049700000000, -0.0341300300000000, -0.0031466600000000 ] - [ -0.0153766300000000, -0.0342522000000000, -0.0030967400000000 ] - [ -0.1679743200000000, -0.0228889900000000, 0.0331928000000000 ] - [ -0.0303858300000000, -0.0313444900000000, 0.0350432500000000 ] - [ 0.0439157800000000, -0.0325817000000000, -0.0428440200000000 ] - [ 0.0298045900000000, -0.0310162500000000, -0.0346377400000000 ] - [ 0.0299412800000000, 0.0304268700000000, -0.0350204300000000 ] - [ 0.0301150100000000, 0.0310772400000000, -0.0341904500000000 ] - [ -0.0336021700000000, 0.0301409700000000, 0.0383391000000000 ] - [ -0.0307244500000000, 0.0312621900000000, 0.0349991500000000 ] - [ 0.0011757000000000, 0.0092468200000000, 0.0115028500000000 ] - [ -0.0004422100000000, 0.0100834900000000, 0.0121194400000000 ] - [ -0.0004185100000000, 0.0096701700000000, -0.0107780000000000 ] - [ 0.0006166600000000, 0.0101470700000000, -0.0119908100000000 ] - [ 0.0006900000000000, -0.0100913600000000, -0.0121129200000000 ] - [ 0.0006949900000000, -0.0103309900000000, -0.0119803300000000 ] - [ -0.0008314200000000, -0.0097852200000000, 0.0119934500000000 ] - [ -0.0005417000000000, -0.0103131300000000, 0.0121118800000000 ] - [ 0.0412422800000000, 0.0520598300000000, -0.0069286600000000 ] - [ 0.0411362400000000, 0.0524801000000000, -0.0067399700000000 ] - [ -0.0409810900000000, 0.0524369100000000, 0.0064253600000000 ] - [ -0.0411490600000000, 0.0525043300000000, 0.0066421400000000 ] - [ -0.0411341800000000, -0.0524397000000000, 0.0067687000000000 ] - [ -0.0408699200000000, -0.0528522900000000, 0.0068452300000000 ] - [ 0.0420842400000000, -0.0525436900000000, -0.0064220400000000 ] - [ 0.0423595400000000, -0.0531493100000000, -0.0059492700000000 ] - [ -0.0292983700000000, -0.0107615800000000, 0.0070625200000000 ] - [ -0.0291825900000000, -0.0109043600000000, 0.0071237700000000 ] - [ 0.0291476200000000, -0.0107428400000000, -0.0071282300000000 ] - [ 0.0291938200000000, -0.0108360900000000, -0.0070919700000000 ] - [ 0.0292530400000000, 0.0107213800000000, -0.0072038700000000 ] - [ 0.0291999900000000, 0.0109471000000000, -0.0071590100000000 ] - [ -0.0293404300000000, 0.0107637500000000, 0.0072410900000000 ] - [ -0.0293636400000000, 0.0107486700000000, 0.0074129500000000 ] - [ 0.0120849900000000, 0.0001852600000000, -0.0106088300000000 ] - [ 0.0167986700000000, 0.0050844900000000, -0.0111511800000000 ] - [ -0.0119908300000000, 0.0000077300000000, 0.0106797100000000 ] - [ -0.0124143400000000, 0.0001270100000000, 0.0101699300000000 ] - [ 0.0044855100000000, 0.0000374200000000, -0.0169575000000000 ] - [ 0.0044657500000000, 0.0000188900000000, -0.0169323800000000 ] - [ -0.0045764300000000, -0.0000127100000000, 0.0168570800000000 ] - [ -0.0044537200000000, 0.0000399100000000, 0.0170352300000000 ] - [ 0.0179017400000000, 0.0000314500000000, -0.0036113400000000 ] - [ 0.0179935200000000, -0.0000480000000000, -0.0035919300000000 ] - [ -0.0179085300000000, -0.0000074200000000, 0.0035760800000000 ] - [ -0.0179644700000000, -0.0001192000000000, 0.0036555700000000 ] - [ 0.0138626000000000, 0.0000183200000000, 0.0151622600000000 ] - [ 0.0137923000000000, 0.0000455100000000, 0.0150988000000000 ] - [ -0.0136137300000000, 0.0000126000000000, -0.0152679500000000 ] - [ -0.0139623800000000, 0.0008136100000000, -0.0146893600000000 ] - [ -0.0154705900000000, 0.0344929600000000, -0.0027752900000000 ] - [ -0.0154184200000000, 0.0342668500000000, -0.0031952800000000 ] - [ 0.0154894000000000, 0.0342771100000000, 0.0030127100000000 ] - [ 0.0155016700000000, 0.0343170900000000, 0.0029929500000000 ] - [ 0.0153979000000000, -0.0343061000000000, 0.0030670500000000 ] - [ 0.0154373100000000, -0.0342959100000000, 0.0030124700000000 ] - [ -0.0153908300000000, -0.0343368700000000, -0.0029434000000000 ] - [ -0.0154363100000000, -0.0342020900000000, -0.0030799700000000 ] - [ -0.0291769600000000, -0.0312953100000000, 0.0343659000000000 ] - [ -0.0291703500000000, -0.0308862600000000, 0.0340527000000000 ] - [ 0.0296324500000000, -0.0309368100000000, -0.0343951800000000 ] - [ 0.0296345300000000, -0.0311574100000000, -0.0347284100000000 ] - [ 0.0295139800000000, 0.0310409000000000, -0.0344219600000000 ] - [ 0.0294977000000000, 0.0310467500000000, -0.0344148400000000 ] - [ -0.0295532000000000, 0.0314254200000000, 0.0346875000000000 ] - [ -0.0294214700000000, 0.0309942500000000, 0.0344422400000000 ] - [ -0.0007693200000000, 0.0099630200000000, 0.0114834100000000 ] - [ -0.0005284000000000, 0.0101290800000000, 0.0121199500000000 ] - [ 0.0008102100000000, 0.0103201700000000, -0.0123075700000000 ] - [ 0.0005730800000000, 0.0100628300000000, -0.0120118600000000 ] - [ 0.0005380500000000, -0.0101338600000000, -0.0120539700000000 ] - [ 0.0006072400000000, -0.0100239700000000, -0.0121208600000000 ] - [ -0.0005301200000000, -0.0102923200000000, 0.0118464400000000 ] - [ -0.0006722600000000, -0.0100155200000000, 0.0120684500000000 ] - [ -0.0114097900000000, -0.0001129100000000, 0.0167014100000000 ] - [ -0.0109873800000000, -0.0012664700000000, 0.0164478200000000 ] - [ 0.0115190700000000, -0.0000995500000000, -0.0167042100000000 ] - [ 0.0116891400000000, 0.0000461500000000, -0.0167860500000000 ] - [ -0.0375771200000000, 0.0001314100000000, 0.0132423300000000 ] - [ -0.0377160700000000, -0.0000817500000000, 0.0130238700000000 ] - [ 0.0366952100000000, 0.0007511600000000, -0.0139522400000000 ] - [ 0.0377572300000000, -0.0000228800000000, -0.0130245700000000 ] - [ -0.0198759500000000, 0.0000039600000000, 0.0119908100000000 ] - [ -0.0197309700000000, 0.0001090800000000, 0.0118016400000000 ] - [ 0.0199137400000000, -0.0000195200000000, -0.0119714600000000 ] - [ 0.0198455300000000, 0.0000778000000000, -0.0119144200000000 ] - [ -0.0163072200000000, -0.0001487100000000, 0.0203155100000000 ] - [ -0.0164620900000000, 0.0009550300000000, 0.0199378800000000 ] - [ 0.0164380400000000, 0.0000136400000000, -0.0207373100000000 ] - [ 0.0270304400000000, 0.0134781800000000, -0.0285984900000000 ] - [ -0.0091466200000000, -0.0006061100000000, 0.0163504300000000 ] - [ -0.0116271500000000, -0.0000085700000000, 0.0166644800000000 ] - [ 0.0111396100000000, -0.0003864400000000, -0.0164164200000000 ] - [ 0.0115242700000000, 0.0000415800000000, -0.0166811500000000 ] - [ -0.0377692600000000, 0.0000133700000000, 0.0130925300000000 ] - [ -0.0377705600000000, -0.0000157300000000, 0.0130857800000000 ] - [ 0.0378261700000000, 0.0000188800000000, -0.0130859800000000 ] - [ 0.0377469900000000, -0.0000307500000000, -0.0129843500000000 ] - [ -0.0199550600000000, -0.0000132500000000, 0.0119745100000000 ] - [ -0.0198987900000000, 0.0000301700000000, 0.0119991000000000 ] - [ 0.0198565100000000, 0.0000245800000000, -0.0119833000000000 ] - [ 0.0198983000000000, 0.0000061800000000, -0.0120181800000000 ] - [ -0.0161567100000000, -0.0001135400000000, 0.0201827300000000 ] - [ -0.0161577600000000, -0.0000113500000000, 0.0201936800000000 ] - [ 0.0159700000000000, 0.0000450000000000, -0.0202575100000000 ] - [ 0.0163209400000000, -0.0000253300000000, -0.0201730300000000 ]- atom: 41 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0408872900000000, 0.0535333100000000, -0.0069231400000000 ] - [ 0.0422834600000000, 0.0533828700000000, -0.0064740300000000 ] - [ -0.0416586100000000, 0.0523845900000000, 0.0064294600000000 ] - [ -0.0413492000000000, 0.0526857500000000, 0.0065812700000000 ] - [ -0.0381154000000000, -0.0525891900000000, -0.0019147000000000 ] - [ -0.0412185200000000, -0.0525312300000000, 0.0066192800000000 ] - [ -0.0444201100000000, -0.0519824300000000, -0.0254253000000000 ] - [ 0.0412088400000000, -0.0523707200000000, -0.0067676500000000 ] - [ -0.0302076900000000, -0.0106383100000000, 0.0066732700000000 ] - [ -0.0293320000000000, -0.0112264900000000, 0.0068786900000000 ] - [ 0.0293885800000000, -0.0107334900000000, -0.0069245400000000 ] - [ 0.0292814800000000, -0.0110178900000000, -0.0069174000000000 ] - [ 0.0253998700000000, 0.0102065500000000, -0.0067994200000000 ] - [ 0.0292995100000000, 0.0108949100000000, -0.0070908400000000 ] - [ -0.0265655100000000, 0.0117578600000000, 0.0009592400000000 ] - [ -0.0292407800000000, 0.0108499300000000, 0.0070899000000000 ] - [ 0.0064313400000000, -0.0043538300000000, -0.0105805500000000 ] - [ 0.0111074100000000, -0.0000711100000000, -0.0107401500000000 ] - [ -0.0113689500000000, 0.0002074500000000, 0.0107181100000000 ] - [ -0.0117656100000000, -0.0000139500000000, 0.0107936800000000 ] - [ 0.0043438400000000, -0.0000944300000000, -0.0169716900000000 ] - [ 0.0041650300000000, 0.0008637500000000, -0.0165462400000000 ] - [ -0.0042826700000000, -0.0000514800000000, 0.0173226900000000 ] - [ -0.0035315100000000, 0.0003199600000000, 0.0167994400000000 ] - [ 0.0176904000000000, 0.0002445700000000, -0.0034193000000000 ] - [ 0.0179108400000000, -0.0000598700000000, -0.0035171000000000 ] - [ -0.0178690600000000, -0.0000019400000000, 0.0037348600000000 ] - [ -0.0179232800000000, 0.0000310000000000, 0.0034764600000000 ] - [ 0.0148656800000000, -0.0004425200000000, 0.0164261400000000 ] - [ 0.0140566000000000, -0.0000598900000000, 0.0154066200000000 ] - [ -0.0362138000000000, 0.0230590600000000, -0.0016461600000000 ] - [ -0.0146440800000000, 0.0002660200000000, -0.0145568700000000 ] - [ -0.0143813200000000, 0.0336563000000000, -0.0031386100000000 ] - [ -0.0154572500000000, 0.0342490600000000, -0.0030603900000000 ] - [ 0.0142726000000000, 0.0338338200000000, 0.0033919200000000 ] - [ 0.0154064600000000, 0.0343105900000000, 0.0030688900000000 ] - [ 0.0154628500000000, -0.0343260900000000, 0.0030125100000000 ] - [ 0.0153831200000000, -0.0342172700000000, 0.0030102400000000 ] - [ -0.0153953800000000, -0.0343523100000000, -0.0029756400000000 ] - [ -0.0154238900000000, -0.0342325400000000, -0.0030274100000000 ] - [ 0.1131123100000000, -0.0393805900000000, 0.0377018500000000 ] - [ -0.0285591500000000, -0.0307810200000000, 0.0338383200000000 ] - [ 0.0149434900000000, -0.0295419400000000, -0.0263520700000000 ] - [ 0.0291460100000000, -0.0311054500000000, -0.0342413000000000 ] - [ 0.0290074500000000, 0.0316981000000000, -0.0338600100000000 ] - [ 0.0288340800000000, 0.0310481000000000, -0.0346826200000000 ] - [ -0.0253035200000000, 0.0319942300000000, 0.0305441300000000 ] - [ -0.0282415000000000, 0.0308451600000000, 0.0339069000000000 ] - [ -0.0024219700000000, 0.0109400400000000, 0.0126297700000000 ] - [ -0.0008176500000000, 0.0101181500000000, 0.0119962400000000 ] - [ 0.0016709800000000, 0.0105341000000000, -0.0133362200000000 ] - [ 0.0006417500000000, 0.0100554500000000, -0.0121252600000000 ] - [ 0.0005672900000000, -0.0101122100000000, -0.0120040200000000 ] - [ 0.0005667400000000, -0.0098715500000000, -0.0121345300000000 ] - [ -0.0004289700000000, -0.0104200100000000, 0.0121242500000000 ] - [ -0.0007153200000000, -0.0098825400000000, 0.0120112500000000 ] - [ 0.0412896600000000, 0.0530746000000000, -0.0063807200000000 ] - [ 0.0413681200000000, 0.0526499000000000, -0.0065579200000000 ] - [ -0.0415172400000000, 0.0526875400000000, 0.0068711700000000 ] - [ -0.0413528400000000, 0.0526224400000000, 0.0066539400000000 ] - [ -0.0413663900000000, -0.0526835300000000, 0.0065270300000000 ] - [ -0.0416329200000000, -0.0522720500000000, 0.0064473600000000 ] - [ 0.0404178500000000, -0.0525970400000000, -0.0068782400000000 ] - [ 0.0401454200000000, -0.0519740000000000, -0.0073443900000000 ] - [ -0.0292046700000000, -0.0108849500000000, 0.0071880600000000 ] - [ -0.0293211200000000, -0.0107395200000000, 0.0071292100000000 ] - [ 0.0293538600000000, -0.0109008000000000, -0.0071231500000000 ] - [ 0.0293095500000000, -0.0108067300000000, -0.0071607800000000 ] - [ 0.0292506200000000, 0.0109218200000000, -0.0070509400000000 ] - [ 0.0293036700000000, 0.0106954900000000, -0.0070928600000000 ] - [ -0.0291684700000000, 0.0108885500000000, 0.0070093300000000 ] - [ -0.0291389900000000, 0.0108944100000000, 0.0068395400000000 ] - [ 0.0113412300000000, -0.0001863600000000, -0.0108699500000000 ] - [ 0.0066981300000000, -0.0050469300000000, -0.0103219600000000 ] - [ -0.0114500700000000, -0.0000066600000000, 0.0108028800000000 ] - [ -0.0110150000000000, -0.0001397300000000, 0.0113119800000000 ] - [ 0.0043458900000000, -0.0000372600000000, -0.0171267700000000 ] - [ 0.0043658000000000, -0.0000185000000000, -0.0171516400000000 ] - [ -0.0042532800000000, 0.0000137500000000, 0.0172322700000000 ] - [ -0.0043783500000000, -0.0000405800000000, 0.0170482500000000 ] - [ 0.0179464300000000, -0.0000300200000000, -0.0034996300000000 ] - [ 0.0178572200000000, 0.0000465000000000, -0.0035183900000000 ] - [ -0.0179404600000000, 0.0000064100000000, 0.0035337700000000 ] - [ -0.0178841900000000, 0.0001172800000000, 0.0034521300000000 ] - [ 0.0139832400000000, -0.0000205300000000, 0.0151385700000000 ] - [ 0.0140505200000000, -0.0000479200000000, 0.0151970200000000 ] - [ -0.0142329400000000, -0.0000091800000000, -0.0150319000000000 ] - [ -0.0138998200000000, -0.0008077600000000, -0.0156171500000000 ] - [ -0.0153217000000000, 0.0339905700000000, -0.0033526500000000 ] - [ -0.0153793000000000, 0.0342135800000000, -0.0029315800000000 ] - [ 0.0153108200000000, 0.0342029500000000, 0.0031138100000000 ] - [ 0.0152962300000000, 0.0341638200000000, 0.0031315900000000 ] - [ 0.0153974400000000, -0.0341781200000000, 0.0030547800000000 ] - [ 0.0153598400000000, -0.0341855700000000, 0.0031123200000000 ] - [ -0.0154080900000000, -0.0341454100000000, -0.0031797300000000 ] - [ -0.0153638100000000, -0.0342802600000000, -0.0030441500000000 ] - [ -0.0297769300000000, -0.0308164900000000, 0.0345204600000000 ] - [ -0.0297721500000000, -0.0312394500000000, 0.0348232200000000 ] - [ 0.0293155000000000, -0.0311882300000000, -0.0344870700000000 ] - [ 0.0293156000000000, -0.0309639900000000, -0.0341494900000000 ] - [ 0.0294371700000000, 0.0310819500000000, -0.0344561500000000 ] - [ 0.0294521200000000, 0.0310768200000000, -0.0344627900000000 ] - [ -0.0293872700000000, 0.0306894900000000, 0.0341902800000000 ] - [ -0.0295261200000000, 0.0311256900000000, 0.0344372600000000 ] - [ -0.0004959700000000, 0.0102373900000000, 0.0126385000000000 ] - [ -0.0007296600000000, 0.0100754200000000, 0.0119996700000000 ] - [ 0.0004464900000000, 0.0098830800000000, -0.0118079600000000 ] - [ 0.0006837800000000, 0.0101391100000000, -0.0121050800000000 ] - [ 0.0007202900000000, -0.0100679800000000, -0.0120651700000000 ] - [ 0.0006505500000000, -0.0101810500000000, -0.0119955200000000 ] - [ -0.0007323900000000, -0.0099158300000000, 0.0122705100000000 ] - [ -0.0005865900000000, -0.0101858800000000, 0.0120482700000000 ] - [ -0.0116688400000000, 0.0001155200000000, 0.0166877500000000 ] - [ -0.0121479900000000, 0.0012994400000000, 0.0169360900000000 ] - [ 0.0115597800000000, 0.0000928600000000, -0.0166827100000000 ] - [ 0.0113937600000000, -0.0000534400000000, -0.0165997000000000 ] - [ -0.0379380600000000, -0.0001323500000000, 0.0128785100000000 ] - [ -0.0377964800000000, 0.0000852700000000, 0.0130974700000000 ] - [ 0.0388282600000000, -0.0007705000000000, -0.0121811700000000 ] - [ 0.0377541500000000, 0.0000200400000000, -0.0130991400000000 ] - [ -0.0199526800000000, 0.0000014100000000, 0.0120329900000000 ] - [ -0.0201028600000000, -0.0001043600000000, 0.0122263200000000 ] - [ 0.0199156400000000, 0.0000136900000000, -0.0120524500000000 ] - [ 0.0199848100000000, -0.0000828600000000, -0.0121093800000000 ] - [ -0.0161204300000000, 0.0001548500000000, 0.0200981800000000 ] - [ -0.0159621200000000, -0.0009511200000000, 0.0204814400000000 ] - [ 0.0159841300000000, -0.0000243600000000, -0.0196715200000000 ] - [ 0.0054430100000000, -0.0131158200000000, -0.0120636700000000 ] - [ -0.0139616500000000, 0.0006465200000000, 0.0170510800000000 ] - [ -0.0114513000000000, 0.0000157000000000, 0.0167232900000000 ] - [ 0.0119437600000000, 0.0003796900000000, -0.0169715500000000 ] - [ 0.0115553300000000, -0.0000472900000000, -0.0167058500000000 ] - [ -0.0377427000000000, -0.0000103600000000, 0.0130299200000000 ] - [ -0.0377417800000000, 0.0000185800000000, 0.0130360700000000 ] - [ 0.0376860000000000, -0.0000203600000000, -0.0130362100000000 ] - [ 0.0377626600000000, 0.0000278900000000, -0.0131370800000000 ] - [ -0.0198743800000000, 0.0000195600000000, 0.0120491200000000 ] - [ -0.0199302500000000, -0.0000244400000000, 0.0120246700000000 ] - [ 0.0199707700000000, -0.0000300200000000, -0.0120406600000000 ] - [ 0.0199305900000000, -0.0000116900000000, -0.0120053700000000 ] - [ -0.0162682500000000, 0.0001208900000000, 0.0202278100000000 ] - [ -0.0162690500000000, 0.0000192100000000, 0.0202176900000000 ] - [ 0.0164497900000000, -0.0000787400000000, -0.0201548900000000 ] - [ 0.0161074300000000, 0.0000179700000000, -0.0202386700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0396595200000000, 0.0518459700000000, -0.0069559300000000 ] - [ 0.0403794300000000, 0.0516141500000000, -0.0068370500000000 ] - [ -0.0415165100000000, 0.0529388300000000, 0.0065170000000000 ] - [ -0.0412772500000000, 0.0526586000000000, 0.0065252100000000 ] - [ -0.0429592500000000, -0.0526771600000000, 0.0057444300000000 ] - [ -0.0412479600000000, -0.0526527000000000, 0.0066186900000000 ] - [ 0.0353553600000000, -0.0407589800000000, -0.0093447500000000 ] - [ 0.0414280200000000, -0.0522211700000000, -0.0066549700000000 ] - [ -0.0295848500000000, -0.0101455300000000, 0.0067880900000000 ] - [ -0.0294714100000000, -0.0097915400000000, 0.0077341800000000 ] - [ 0.0289397800000000, -0.0112832300000000, -0.0075616300000000 ] - [ 0.0290828100000000, -0.0113711200000000, -0.0065903800000000 ] - [ 0.0295244600000000, 0.0119237300000000, -0.0066519500000000 ] - [ 0.0291233600000000, 0.0110347900000000, -0.0070123300000000 ] - [ -0.0298387100000000, 0.0076632000000000, 0.0078367200000000 ] - [ -0.0293587900000000, 0.0107537000000000, 0.0070161600000000 ] - [ 0.0183982100000000, -0.0014020400000000, -0.0080848300000000 ] - [ 0.0123343600000000, -0.0000622500000000, -0.0105329300000000 ] - [ -0.0114697800000000, 0.0001295000000000, 0.0102780800000000 ] - [ -0.0117042500000000, -0.0000555000000000, 0.0106993300000000 ] - [ 0.0042743500000000, -0.0002484200000000, -0.0167883200000000 ] - [ 0.0045528200000000, 0.0007915300000000, -0.0159677100000000 ] - [ -0.0045692300000000, -0.0001841600000000, 0.0168693300000000 ] - [ -0.0049743700000000, 0.0001629700000000, 0.0143559400000000 ] - [ 0.0171304700000000, 0.0000203300000000, -0.0033004500000000 ] - [ 0.0179015000000000, 0.0000203100000000, -0.0036112600000000 ] - [ -0.0179866400000000, 0.0001919100000000, 0.0035587800000000 ] - [ -0.0179416100000000, 0.0000110400000000, 0.0034568600000000 ] - [ 0.0133272200000000, -0.0023321700000000, 0.0087243900000000 ] - [ 0.0139492800000000, 0.0000192700000000, 0.0145694800000000 ] - [ -0.0348513000000000, 0.0579848100000000, 0.0061757900000000 ] - [ -0.0143378700000000, 0.0004577400000000, -0.0149018800000000 ] - [ -0.0153683100000000, 0.0341149500000000, -0.0029792200000000 ] - [ -0.0154224800000000, 0.0342246400000000, -0.0029440000000000 ] - [ 0.0154883400000000, 0.0344531900000000, 0.0031838700000000 ] - [ 0.0154290700000000, 0.0343566500000000, 0.0031599500000000 ] - [ 0.0155302200000000, -0.0343285300000000, 0.0031477700000000 ] - [ 0.0153748600000000, -0.0343213800000000, 0.0030872000000000 ] - [ -0.0152984100000000, -0.0342214000000000, -0.0029894700000000 ] - [ -0.0152702100000000, -0.0339941200000000, -0.0031261400000000 ] - [ -0.0224263900000000, -0.1619406600000000, 0.0290795200000000 ] - [ -0.0297544100000000, -0.0294584300000000, 0.0345048000000000 ] - [ 0.0310298900000000, -0.0185831000000000, -0.0318299200000000 ] - [ 0.0294267200000000, -0.0307362700000000, -0.0344853300000000 ] - [ 0.0288276800000000, 0.0297465300000000, -0.0326342900000000 ] - [ 0.0294845000000000, 0.0296067300000000, -0.0334418800000000 ] - [ -0.0285338300000000, 0.0425197300000000, 0.0351486500000000 ] - [ -0.0296877700000000, 0.0403054400000000, 0.0345646100000000 ] - [ -0.0000594100000000, 0.0105456700000000, 0.0120174900000000 ] - [ -0.0008787400000000, 0.0099183700000000, 0.0119609400000000 ] - [ 0.0003605700000000, 0.0098888200000000, -0.0119144400000000 ] - [ 0.0005893900000000, 0.0100718200000000, -0.0121486100000000 ] - [ 0.0007155000000000, -0.0098204500000000, -0.0119182700000000 ] - [ 0.0007277800000000, -0.0098529200000000, -0.0120761800000000 ] - [ -0.0003469300000000, -0.0104748300000000, 0.0122345300000000 ] - [ -0.0006432500000000, -0.0101033300000000, 0.0121143000000000 ] - [ 0.0402884400000000, 0.0502476000000000, -0.0067663500000000 ] - [ 0.0410628300000000, 0.0524414700000000, -0.0065867500000000 ] - [ -0.0412131000000000, 0.0528462900000000, 0.0066685600000000 ] - [ -0.0412423100000000, 0.0527547800000000, 0.0065736600000000 ] - [ -0.0413171800000000, -0.0527789800000000, 0.0066998800000000 ] - [ -0.0413763500000000, -0.0527894900000000, 0.0066045900000000 ] - [ 0.0419057000000000, -0.0514519700000000, -0.0061565700000000 ] - [ 0.0409712400000000, -0.0512589900000000, -0.0069419600000000 ] - [ -0.0292146200000000, -0.0106124800000000, 0.0068521700000000 ] - [ -0.0293229400000000, -0.0107601900000000, 0.0070904800000000 ] - [ 0.0292130600000000, -0.0108415300000000, -0.0072852400000000 ] - [ 0.0291921600000000, -0.0108852500000000, -0.0071846000000000 ] - [ 0.0292516700000000, 0.0108618400000000, -0.0072309500000000 ] - [ 0.0291916600000000, 0.0109008300000000, -0.0072932400000000 ] - [ -0.0294020800000000, 0.0107558100000000, 0.0071406700000000 ] - [ -0.0292204300000000, 0.0107772600000000, 0.0070954100000000 ] - [ 0.0122779900000000, -0.0000881300000000, -0.0107157700000000 ] - [ 0.0156001400000000, 0.0009990400000000, -0.0100106800000000 ] - [ -0.0115846000000000, -0.0001389000000000, 0.0107071800000000 ] - [ -0.0108266900000000, 0.0003492300000000, 0.0104434000000000 ] - [ 0.0044540900000000, -0.0000519300000000, -0.0169142500000000 ] - [ 0.0043468500000000, 0.0000404900000000, -0.0169261500000000 ] - [ -0.0044591400000000, -0.0000145700000000, 0.0168885800000000 ] - [ -0.0044696800000000, 0.0000021200000000, 0.0170775800000000 ] - [ 0.0178426400000000, -0.0000566100000000, -0.0035409100000000 ] - [ 0.0179991700000000, -0.0000027800000000, -0.0033191800000000 ] - [ -0.0180246100000000, 0.0000485900000000, 0.0034983500000000 ] - [ -0.0178703100000000, 0.0000088400000000, 0.0037862900000000 ] - [ 0.0139452400000000, 0.0000761100000000, 0.0149332400000000 ] - [ 0.0139785800000000, 0.0001023000000000, 0.0149269500000000 ] - [ -0.0135655500000000, -0.0004558600000000, -0.0150154700000000 ] - [ -0.0141161800000000, 0.0011477900000000, -0.0149928000000000 ] - [ -0.0151286100000000, 0.0340414700000000, -0.0029484300000000 ] - [ -0.0152974400000000, 0.0340294600000000, -0.0031035300000000 ] - [ 0.0155341500000000, 0.0342777300000000, 0.0030777300000000 ] - [ 0.0155339300000000, 0.0345390900000000, 0.0032152500000000 ] - [ 0.0156805500000000, -0.0346486000000000, 0.0031212000000000 ] - [ 0.0154155500000000, -0.0342092900000000, 0.0030047600000000 ] - [ -0.0151616200000000, -0.0339203000000000, -0.0029682600000000 ] - [ -0.0153568600000000, -0.0342578300000000, -0.0030109400000000 ] - [ -0.0292946100000000, -0.0321408300000000, 0.0339239200000000 ] - [ -0.0297101300000000, -0.0321499900000000, 0.0341647000000000 ] - [ 0.0295680100000000, -0.0308698100000000, -0.0342331800000000 ] - [ 0.0293435300000000, -0.0308687800000000, -0.0343115500000000 ] - [ 0.0294508900000000, 0.0308514900000000, -0.0343079500000000 ] - [ 0.0294560300000000, 0.0309883100000000, -0.0343854700000000 ] - [ -0.0298366100000000, 0.0325700400000000, 0.0345673700000000 ] - [ -0.0294044600000000, 0.0314850400000000, 0.0343524100000000 ] - [ -0.0014008400000000, 0.0099559000000000, 0.0127561200000000 ] - [ -0.0004809100000000, 0.0101444300000000, 0.0119135300000000 ] - [ 0.0005729900000000, 0.0102594700000000, -0.0121892100000000 ] - [ 0.0006412100000000, 0.0099127800000000, -0.0120962500000000 ] - [ 0.0006132300000000, -0.0101206800000000, -0.0120984600000000 ] - [ 0.0005640000000000, -0.0101686100000000, -0.0119360000000000 ] - [ -0.0009724000000000, -0.0103848500000000, 0.0125125400000000 ] - [ -0.0006289500000000, -0.0100387600000000, 0.0120848900000000 ] - [ -0.0117011700000000, 0.0000188500000000, 0.0165884600000000 ] - [ -0.0125991900000000, -0.0003127700000000, 0.0157850900000000 ] - [ 0.0114900400000000, -0.0000039200000000, -0.0167054000000000 ] - [ 0.0115224100000000, 0.0001137200000000, -0.0166078700000000 ] - [ -0.0373454900000000, 0.0007080400000000, 0.0128042500000000 ] - [ -0.0376825500000000, -0.0000665100000000, 0.0130154400000000 ] - [ 0.0392567400000000, -0.0006017800000000, -0.0114853200000000 ] - [ 0.0377444600000000, -0.0001417600000000, -0.0130494400000000 ] - [ -0.0199237300000000, -0.0000704300000000, 0.0120700600000000 ] - [ -0.0197267000000000, 0.0000413700000000, 0.0117025200000000 ] - [ 0.0199410900000000, 0.0000242200000000, -0.0120015900000000 ] - [ 0.0200904100000000, 0.0000308500000000, -0.0121855100000000 ] - [ -0.0162313200000000, 0.0002588100000000, 0.0202536200000000 ] - [ -0.0159412700000000, -0.0011131100000000, 0.0206142400000000 ] - [ 0.0164141100000000, 0.0004262900000000, -0.0206005900000000 ] - [ 0.0313641000000000, 0.0326773900000000, -0.0343391600000000 ] - [ -0.0130023500000000, -0.0004859500000000, 0.0154846800000000 ] - [ -0.0116103700000000, -0.0001952800000000, 0.0166575500000000 ] - [ 0.0112288600000000, -0.0000368400000000, -0.0165079900000000 ] - [ 0.0115329200000000, -0.0000159400000000, -0.0167035800000000 ] - [ -0.0377719500000000, -0.0000162400000000, 0.0130430500000000 ] - [ -0.0377098800000000, -0.0000361000000000, 0.0131008900000000 ] - [ 0.0377933900000000, -0.0000256700000000, -0.0130602800000000 ] - [ 0.0377089900000000, -0.0000252200000000, -0.0130456700000000 ] - [ -0.0199278200000000, 0.0000086100000000, 0.0119356300000000 ] - [ -0.0199328200000000, -0.0000265100000000, 0.0120152500000000 ] - [ 0.0200274500000000, -0.0000460100000000, -0.0121093300000000 ] - [ 0.0199064700000000, 0.0000066600000000, -0.0120179800000000 ] - [ -0.0162189600000000, 0.0000530900000000, 0.0202875700000000 ] - [ -0.0162306800000000, 0.0000110600000000, 0.0202165400000000 ] - [ 0.0158624800000000, 0.0005340500000000, -0.0204645300000000 ] - [ 0.0161105000000000, -0.0000961300000000, -0.0202899200000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0428598000000000, 0.0532741900000000, -0.0063275900000000 ] - [ 0.0421082000000000, 0.0535036300000000, -0.0064681100000000 ] - [ -0.0409875000000000, 0.0521872800000000, 0.0067737300000000 ] - [ -0.0412184100000000, 0.0524682000000000, 0.0067657000000000 ] - [ -0.0395930300000000, -0.0524544200000000, 0.0075776900000000 ] - [ -0.0412519500000000, -0.0524732100000000, 0.0066756300000000 ] - [ 0.0475835200000000, -0.0644261200000000, -0.0038872400000000 ] - [ 0.0410801300000000, -0.0529029800000000, -0.0066368300000000 ] - [ -0.0289123700000000, -0.0115008600000000, 0.0074825500000000 ] - [ -0.0290311100000000, -0.0118376700000000, 0.0065265700000000 ] - [ 0.0295616900000000, -0.0103550700000000, -0.0066899500000000 ] - [ 0.0294165000000000, -0.0102750800000000, -0.0076569800000000 ] - [ 0.0290073200000000, 0.0097137100000000, -0.0076143200000000 ] - [ 0.0293797500000000, 0.0106114400000000, -0.0072399100000000 ] - [ -0.0287058100000000, 0.0139606900000000, 0.0064891900000000 ] - [ -0.0291416300000000, 0.0108918500000000, 0.0072377300000000 ] - [ 0.0049973100000000, 0.0014255300000000, -0.0134220500000000 ] - [ 0.0111113500000000, 0.0000596300000000, -0.0109428400000000 ] - [ -0.0119720400000000, -0.0001245300000000, 0.0112108400000000 ] - [ -0.0117374200000000, 0.0000551000000000, 0.0107817300000000 ] - [ 0.0045581700000000, 0.0002466800000000, -0.0172957800000000 ] - [ 0.0042821600000000, -0.0007895900000000, -0.0181185900000000 ] - [ -0.0042593000000000, 0.0001878800000000, 0.0172198500000000 ] - [ -0.0038739600000000, -0.0001843000000000, 0.0197076000000000 ] - [ 0.0187235300000000, -0.0000215400000000, -0.0038067000000000 ] - [ 0.0179465600000000, -0.0000196600000000, -0.0035010400000000 ] - [ -0.0178611200000000, -0.0001945500000000, 0.0035526100000000 ] - [ -0.0179061300000000, -0.0000122300000000, 0.0036548800000000 ] - [ 0.0145259400000000, 0.0023463100000000, 0.0216260100000000 ] - [ 0.0138933000000000, -0.0000214800000000, 0.0157231900000000 ] - [ 0.0082275400000000, -0.0600283700000000, -0.0377641700000000 ] - [ -0.0135138200000000, -0.0004519100000000, -0.0153926400000000 ] - [ -0.0154402500000000, 0.0343713200000000, -0.0031467100000000 ] - [ -0.0153745000000000, 0.0342574700000000, -0.0031823500000000 ] - [ 0.0153213700000000, 0.0340322700000000, 0.0029359600000000 ] - [ 0.0153700200000000, 0.0341258600000000, 0.0029648000000000 ] - [ 0.0152679100000000, -0.0341540900000000, 0.0029777800000000 ] - [ 0.0154211600000000, -0.0341605000000000, 0.0030401300000000 ] - [ -0.0155018600000000, -0.0342616000000000, -0.0031350500000000 ] - [ -0.0155282800000000, -0.0344858800000000, -0.0029988400000000 ] - [ -0.0389677700000000, 0.1008310700000000, 0.0421332000000000 ] - [ -0.0291965600000000, -0.0326669500000000, 0.0343758200000000 ] - [ 0.0280122100000000, -0.0435414400000000, -0.0374622200000000 ] - [ 0.0295213800000000, -0.0313896100000000, -0.0343993000000000 ] - [ 0.0301145000000000, 0.0323794500000000, -0.0362524400000000 ] - [ 0.0294668900000000, 0.0325087200000000, -0.0354224800000000 ] - [ -0.0303892800000000, 0.0193653000000000, 0.0336698100000000 ] - [ -0.0292769200000000, 0.0219862200000000, 0.0343370100000000 ] - [ -0.0011683700000000, 0.0096505900000000, 0.0120958200000000 ] - [ -0.0003801000000000, 0.0102847800000000, 0.0121566400000000 ] - [ 0.0008877900000000, 0.0103137600000000, -0.0121894100000000 ] - [ 0.0006704000000000, 0.0101284800000000, -0.0119670800000000 ] - [ 0.0005419300000000, -0.0103836600000000, -0.0121992800000000 ] - [ 0.0005348500000000, -0.0103510900000000, -0.0120411000000000 ] - [ -0.0009125900000000, -0.0097250700000000, 0.0118819600000000 ] - [ -0.0006184600000000, -0.0101023900000000, 0.0120025700000000 ] - [ 0.0421927200000000, 0.0548683400000000, -0.0065466100000000 ] - [ 0.0414350100000000, 0.0526853500000000, -0.0067094600000000 ] - [ -0.0412823500000000, 0.0522767800000000, 0.0066225900000000 ] - [ -0.0412573200000000, 0.0523734600000000, 0.0067215300000000 ] - [ -0.0411823800000000, -0.0523460500000000, 0.0065938100000000 ] - [ -0.0411211100000000, -0.0523397500000000, 0.0066875800000000 ] - [ 0.0405949900000000, -0.0536876900000000, -0.0071365200000000 ] - [ 0.0415167200000000, -0.0538393300000000, -0.0063647200000000 ] - [ -0.0292855100000000, -0.0110266500000000, 0.0073975600000000 ] - [ -0.0291803200000000, -0.0108827300000000, 0.0071630600000000 ] - [ 0.0292872700000000, -0.0107998300000000, -0.0069672300000000 ] - [ 0.0293097700000000, -0.0107587400000000, -0.0070687000000000 ] - [ 0.0292513400000000, 0.0107798600000000, -0.0070218000000000 ] - [ 0.0293098500000000, 0.0107433200000000, -0.0069611600000000 ] - [ -0.0291048400000000, 0.0108881200000000, 0.0071116600000000 ] - [ -0.0292802000000000, 0.0108655600000000, 0.0071551900000000 ] - [ 0.0111512600000000, 0.0000902000000000, -0.0107657800000000 ] - [ 0.0078881700000000, -0.0010206600000000, -0.0114293700000000 ] - [ -0.0118547100000000, 0.0001394500000000, 0.0107709900000000 ] - [ -0.0126112800000000, -0.0003503000000000, 0.0110340900000000 ] - [ 0.0043777000000000, 0.0000514200000000, -0.0171689600000000 ] - [ 0.0044848600000000, -0.0000416500000000, -0.0171561300000000 ] - [ -0.0043743600000000, 0.0000146700000000, 0.0171954600000000 ] - [ -0.0043637000000000, -0.0000018800000000, 0.0170038700000000 ] - [ 0.0180052500000000, 0.0000572200000000, -0.0035691200000000 ] - [ 0.0178515100000000, 0.0000044500000000, -0.0037903400000000 ] - [ -0.0178229500000000, -0.0000492400000000, 0.0036112500000000 ] - [ -0.0179765900000000, -0.0000098700000000, 0.0033272700000000 ] - [ 0.0138992000000000, -0.0000775300000000, 0.0153637300000000 ] - [ 0.0138657400000000, -0.0000990500000000, 0.0153670800000000 ] - [ -0.0142744400000000, 0.0004516200000000, -0.0152834800000000 ] - [ -0.0137326300000000, -0.0011456000000000, -0.0153092000000000 ] - [ -0.0156621500000000, 0.0344427200000000, -0.0031821100000000 ] - [ -0.0155011200000000, 0.0344512600000000, -0.0030232400000000 ] - [ 0.0152622500000000, 0.0342036700000000, 0.0030465000000000 ] - [ 0.0152671000000000, 0.0339479500000000, 0.0029077200000000 ] - [ 0.0151162500000000, -0.0338371500000000, 0.0030041700000000 ] - [ 0.0153820300000000, -0.0342721800000000, 0.0031199900000000 ] - [ -0.0156383600000000, -0.0345570400000000, -0.0031622700000000 ] - [ -0.0154423700000000, -0.0342237600000000, -0.0031119600000000 ] - [ -0.0296580800000000, -0.0299780200000000, 0.0349561200000000 ] - [ -0.0292396000000000, -0.0299863500000000, 0.0347160800000000 ] - [ 0.0293827600000000, -0.0312552000000000, -0.0346449200000000 ] - [ 0.0296031600000000, -0.0312540100000000, -0.0345611400000000 ] - [ 0.0294999700000000, 0.0312711600000000, -0.0345667100000000 ] - [ 0.0294937500000000, 0.0311349500000000, -0.0344912400000000 ] - [ -0.0291074500000000, 0.0295554500000000, 0.0343147900000000 ] - [ -0.0295433000000000, 0.0306409300000000, 0.0345252100000000 ] - [ 0.0001323000000000, 0.0102474700000000, 0.0113736200000000 ] - [ -0.0007746200000000, 0.0100585700000000, 0.0122043800000000 ] - [ 0.0006893500000000, 0.0099430900000000, -0.0119290500000000 ] - [ 0.0006170300000000, 0.0102869400000000, -0.0120205200000000 ] - [ 0.0006501500000000, -0.0100814600000000, -0.0120213900000000 ] - [ 0.0006925800000000, -0.0100334700000000, -0.0121798700000000 ] - [ -0.0002919500000000, -0.0098305500000000, 0.0116161400000000 ] - [ -0.0006311900000000, -0.0101606800000000, 0.0120341300000000 ] - [ -0.0113813000000000, -0.0000142500000000, 0.0167994300000000 ] - [ -0.0105060000000000, 0.0003231900000000, 0.0176074000000000 ] - [ 0.0115895000000000, -0.0000024200000000, -0.0166797400000000 ] - [ 0.0115534200000000, -0.0001196700000000, -0.0167764900000000 ] - [ -0.0381719000000000, -0.0007096700000000, 0.0133220200000000 ] - [ -0.0378276200000000, 0.0000688200000000, 0.0131078200000000 ] - [ 0.0362349600000000, 0.0005976500000000, -0.0146686200000000 ] - [ 0.0377669400000000, 0.0001371300000000, -0.0130731600000000 ] - [ -0.0199043600000000, 0.0000758700000000, 0.0119533900000000 ] - [ -0.0200976000000000, -0.0000348200000000, 0.0123123900000000 ] - [ 0.0198876100000000, -0.0000310600000000, -0.0120235800000000 ] - [ 0.0197378100000000, -0.0000366900000000, -0.0118361900000000 ] - [ -0.0161950300000000, -0.0002517200000000, 0.0201567000000000 ] - [ -0.0164952800000000, 0.0011211500000000, 0.0198194900000000 ] - [ 0.0160119300000000, -0.0004580700000000, -0.0198074900000000 ] - [ 0.0018797100000000, -0.0314248800000000, -0.0069114700000000 ] - [ -0.0100749200000000, 0.0004784600000000, 0.0179222200000000 ] - [ -0.0114696800000000, 0.0001986800000000, 0.0167287100000000 ] - [ 0.0118484600000000, 0.0000238400000000, -0.0168780300000000 ] - [ 0.0115451600000000, 0.0000100400000000, -0.0166820600000000 ] - [ -0.0377401000000000, 0.0000195300000000, 0.0130800200000000 ] - [ -0.0378014900000000, 0.0000398100000000, 0.0130212200000000 ] - [ 0.0377201600000000, 0.0000223700000000, -0.0130621800000000 ] - [ 0.0378028500000000, 0.0000220000000000, -0.0130772500000000 ] - [ -0.0199011500000000, -0.0000021700000000, 0.0120880700000000 ] - [ -0.0198954400000000, 0.0000319600000000, 0.0120079200000000 ] - [ 0.0197997600000000, 0.0000401400000000, -0.0119139300000000 ] - [ 0.0199217100000000, -0.0000129700000000, -0.0120049300000000 ] - [ -0.0162071700000000, -0.0000456400000000, 0.0201222000000000 ] - [ -0.0161959200000000, -0.0000036500000000, 0.0201950300000000 ] - [ 0.0165621600000000, -0.0005496700000000, -0.0199460100000000 ] - [ 0.0163150500000000, 0.0000876000000000, -0.0201215100000000 ]- atom: 41 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0410820400000000, 0.0532516400000000, -0.0064311900000000 ] - [ 0.0414624300000000, 0.0525762400000000, -0.0060787200000000 ] - [ -0.0414789000000000, 0.0522584600000000, 0.0069933400000000 ] - [ -0.0413627600000000, 0.0526202900000000, 0.0067657500000000 ] - [ -0.0359690300000000, -0.0507242600000000, 0.0060461700000000 ] - [ -0.0412516800000000, -0.0524871000000000, 0.0067898600000000 ] - [ 0.0346329800000000, -0.0510919200000000, 0.0047704900000000 ] - [ 0.0411592500000000, -0.0524575500000000, -0.0064031600000000 ] - [ -0.0291132400000000, -0.0109343400000000, 0.0077281800000000 ] - [ -0.0296683400000000, -0.0105878400000000, 0.0079910900000000 ] - [ 0.0293647900000000, -0.0109336000000000, -0.0069026100000000 ] - [ 0.0296871700000000, -0.0103150900000000, -0.0072544200000000 ] - [ 0.0268814900000000, 0.0104307400000000, -0.0053531800000000 ] - [ 0.0292575900000000, 0.0109329800000000, -0.0071334700000000 ] - [ -0.0192795200000000, 0.0095868300000000, 0.0124888400000000 ] - [ -0.0291112700000000, 0.0109522300000000, 0.0070815400000000 ] - [ 0.0099407100000000, 0.0002565700000000, -0.0116235800000000 ] - [ 0.0115461800000000, 0.0000571300000000, -0.0110150800000000 ] - [ -0.0120053200000000, -0.0001848600000000, 0.0100993800000000 ] - [ -0.0117052400000000, -0.0000927400000000, 0.0105943900000000 ] - [ 0.0043689100000000, -0.0001149700000000, -0.0167537300000000 ] - [ 0.0044906500000000, -0.0007787100000000, -0.0173873100000000 ] - [ -0.0042336300000000, -0.0003143400000000, 0.0171450700000000 ] - [ -0.0029328400000000, -0.0038453700000000, 0.0228444000000000 ] - [ 0.0175798300000000, 0.0001514500000000, -0.0033138100000000 ] - [ 0.0179348600000000, -0.0000043700000000, -0.0035570200000000 ] - [ -0.0177319800000000, 0.0000487400000000, 0.0036553700000000 ] - [ -0.0179597600000000, 0.0000158000000000, 0.0035218800000000 ] - [ 0.0113469700000000, -0.0055000300000000, 0.0190579700000000 ] - [ 0.0138001500000000, 0.0001834700000000, 0.0158649300000000 ] - [ -0.0332370300000000, 0.0299542700000000, 0.0124685900000000 ] - [ -0.0147370500000000, 0.0005671000000000, -0.0143714200000000 ] - [ -0.0137922400000000, 0.0333939400000000, -0.0032111500000000 ] - [ -0.0154065000000000, 0.0343452600000000, -0.0030164200000000 ] - [ 0.0144306400000000, 0.0338950700000000, 0.0037290300000000 ] - [ 0.0154267300000000, 0.0343039900000000, 0.0030367400000000 ] - [ 0.0154284300000000, -0.0343044700000000, 0.0029980400000000 ] - [ 0.0154037800000000, -0.0342195200000000, 0.0029972400000000 ] - [ -0.0154409300000000, -0.0343053800000000, -0.0030253900000000 ] - [ -0.0155438700000000, -0.0342291300000000, -0.0029736200000000 ] - [ 0.0106825600000000, -0.0395750000000000, -0.1204104700000000 ] - [ -0.0286240000000000, -0.0309165000000000, 0.0326715500000000 ] - [ 0.0168236600000000, -0.0333272000000000, 0.0521785000000000 ] - [ 0.0291877700000000, -0.0310303700000000, -0.0340251500000000 ] - [ 0.0287672200000000, 0.0330013100000000, -0.0337173100000000 ] - [ 0.0295303600000000, 0.0319957000000000, -0.0358719400000000 ] - [ -0.0244967800000000, 0.0306309800000000, 0.0293097200000000 ] - [ -0.0285968000000000, 0.0308758900000000, 0.0340537800000000 ] - [ -0.0018836600000000, 0.0105540300000000, 0.0150502000000000 ] - [ -0.0006582900000000, 0.0100943400000000, 0.0120786600000000 ] - [ 0.0013463500000000, 0.0102837700000000, -0.0130599100000000 ] - [ 0.0006307000000000, 0.0100962600000000, -0.0121119100000000 ] - [ 0.0006409100000000, -0.0101589700000000, -0.0119807000000000 ] - [ 0.0004661900000000, -0.0099298400000000, -0.0122415700000000 ] - [ -0.0006616000000000, -0.0100454800000000, 0.0120179700000000 ] - [ -0.0003756200000000, -0.0096865400000000, 0.0121543500000000 ] - [ 0.0412501900000000, 0.0526026700000000, -0.0061447800000000 ] - [ 0.0412751200000000, 0.0525670700000000, -0.0065833300000000 ] - [ -0.0413111600000000, 0.0525744100000000, 0.0068045500000000 ] - [ -0.0413287200000000, 0.0526530200000000, 0.0067001900000000 ] - [ -0.0410973500000000, -0.0525396500000000, 0.0069137100000000 ] - [ -0.0409713000000000, -0.0522647700000000, 0.0068492800000000 ] - [ 0.0418124500000000, -0.0523111600000000, -0.0060581000000000 ] - [ 0.0405226400000000, -0.0523036200000000, -0.0065835300000000 ] - [ -0.0292517700000000, -0.0107987600000000, 0.0073188700000000 ] - [ -0.0292728100000000, -0.0108839700000000, 0.0072327100000000 ] - [ 0.0292772400000000, -0.0108224900000000, -0.0070876900000000 ] - [ 0.0292704900000000, -0.0107844600000000, -0.0071154300000000 ] - [ 0.0293364800000000, 0.0108727600000000, -0.0070348000000000 ] - [ 0.0290822800000000, 0.0108566700000000, -0.0069937300000000 ] - [ -0.0293914300000000, 0.0106929300000000, 0.0073523100000000 ] - [ -0.0292260800000000, 0.0108020900000000, 0.0070556200000000 ] - [ 0.0113963700000000, -0.0001623700000000, -0.0110108300000000 ] - [ 0.0097038400000000, -0.0024255500000000, -0.0108409300000000 ] - [ -0.0116712900000000, -0.0000878800000000, 0.0105528400000000 ] - [ -0.0121588300000000, -0.0005682700000000, 0.0098126300000000 ] - [ 0.0044731200000000, 0.0000378500000000, -0.0168576200000000 ] - [ 0.0043547900000000, -0.0000033500000000, -0.0169399800000000 ] - [ -0.0045023500000000, -0.0000156000000000, 0.0171548900000000 ] - [ -0.0043904400000000, -0.0000152000000000, 0.0170434400000000 ] - [ 0.0179499600000000, 0.0000001600000000, -0.0034347700000000 ] - [ 0.0178025700000000, 0.0000738000000000, -0.0035938400000000 ] - [ -0.0179331400000000, -0.0000269200000000, 0.0034443800000000 ] - [ -0.0177060400000000, 0.0000529800000000, 0.0036864200000000 ] - [ 0.0139840900000000, 0.0000104200000000, 0.0153449900000000 ] - [ 0.0140586000000000, -0.0001169800000000, 0.0153796500000000 ] - [ -0.0137885100000000, -0.0001520300000000, -0.0148249700000000 ] - [ -0.0141918400000000, 0.0006798000000000, -0.0146639500000000 ] - [ -0.0155650300000000, 0.0340171200000000, -0.0031116700000000 ] - [ -0.0154700500000000, 0.0344792700000000, -0.0030618100000000 ] - [ 0.0152741800000000, 0.0341068200000000, 0.0028504200000000 ] - [ 0.0154336900000000, 0.0343465400000000, 0.0028963500000000 ] - [ 0.0154247500000000, -0.0343533800000000, 0.0030108500000000 ] - [ 0.0153848100000000, -0.0342216400000000, 0.0030152700000000 ] - [ -0.0156235400000000, -0.0342919700000000, -0.0030834300000000 ] - [ -0.0154161600000000, -0.0342947000000000, -0.0029110000000000 ] - [ -0.0299336700000000, -0.0312509200000000, 0.0339109200000000 ] - [ -0.0296389600000000, -0.0316087000000000, 0.0340039100000000 ] - [ 0.0291522400000000, -0.0312167100000000, -0.0346660500000000 ] - [ 0.0294714600000000, -0.0312285000000000, -0.0345644400000000 ] - [ 0.0294824100000000, 0.0311895200000000, -0.0347776700000000 ] - [ 0.0294922900000000, 0.0311137800000000, -0.0345550500000000 ] - [ -0.0292126900000000, 0.0308288900000000, 0.0339998900000000 ] - [ -0.0294875800000000, 0.0311615400000000, 0.0342020900000000 ] - [ -0.0007591100000000, 0.0107342100000000, 0.0128940900000000 ] - [ -0.0005236000000000, 0.0100379500000000, 0.0121538600000000 ] - [ 0.0004603400000000, 0.0098463200000000, -0.0119209200000000 ] - [ 0.0005091600000000, 0.0101092300000000, -0.0120340000000000 ] - [ 0.0005837500000000, -0.0100872900000000, -0.0121884200000000 ] - [ 0.0006459200000000, -0.0101842700000000, -0.0119364400000000 ] - [ -0.0005931300000000, -0.0099805800000000, 0.0123633400000000 ] - [ -0.0005722200000000, -0.0100864100000000, 0.0118988100000000 ] - [ -0.0115976000000000, 0.0000458800000000, 0.0165928000000000 ] - [ -0.0121538200000000, -0.0005014700000000, 0.0161152700000000 ] - [ 0.0115925600000000, 0.0000942500000000, -0.0167416200000000 ] - [ 0.0116374700000000, -0.0000411700000000, -0.0166529300000000 ] - [ -0.0377345300000000, 0.0001855600000000, 0.0129828200000000 ] - [ -0.0377807500000000, 0.0000201100000000, 0.0131125900000000 ] - [ 0.0379249700000000, 0.0012918300000000, -0.0105081500000000 ] - [ 0.0376826200000000, 0.0000125700000000, -0.0130959500000000 ] - [ -0.0198786000000000, 0.0000136900000000, 0.0120507300000000 ] - [ -0.0197617300000000, -0.0001725100000000, 0.0120120400000000 ] - [ 0.0199418900000000, -0.0000729800000000, -0.0120912100000000 ] - [ 0.0199003300000000, -0.0002322600000000, -0.0117762200000000 ] - [ -0.0162391000000000, 0.0002596700000000, 0.0202539900000000 ] - [ -0.0168136600000000, 0.0010473700000000, 0.0210792700000000 ] - [ 0.0155436100000000, -0.0000551400000000, -0.0194908800000000 ] - [ 0.0061828300000000, -0.0139993400000000, -0.0093901400000000 ] - [ -0.0124036400000000, -0.0006410400000000, 0.0160563800000000 ] - [ -0.0114771800000000, 0.0001155400000000, 0.0166278500000000 ] - [ 0.0118986600000000, 0.0001981800000000, -0.0168375300000000 ] - [ 0.0115347200000000, -0.0000362800000000, -0.0167275600000000 ] - [ -0.0377947400000000, -0.0000260200000000, 0.0130250300000000 ] - [ -0.0377510500000000, -0.0000191700000000, 0.0130364000000000 ] - [ 0.0377541900000000, -0.0000701300000000, -0.0130260800000000 ] - [ 0.0376122000000000, 0.0000051200000000, -0.0129824000000000 ] - [ -0.0198845200000000, 0.0000559900000000, 0.0120297600000000 ] - [ -0.0198981800000000, -0.0000045700000000, 0.0120495600000000 ] - [ 0.0199535200000000, -0.0000081300000000, -0.0120421700000000 ] - [ 0.0199391600000000, -0.0000182600000000, -0.0120417100000000 ] - [ -0.0161855900000000, 0.0002214100000000, 0.0202539500000000 ] - [ -0.0161757800000000, -0.0000548800000000, 0.0202270400000000 ] - [ 0.0163360800000000, -0.0002206700000000, -0.0201247300000000 ] - [ 0.0161758200000000, 0.0000281300000000, -0.0202021100000000 ]- atom: 41 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0414255500000000, 0.0518796300000000, -0.0068586500000000 ] - [ 0.0410278200000000, 0.0525463700000000, -0.0072138000000000 ] - [ -0.0410254400000000, 0.0528654100000000, 0.0063059900000000 ] - [ -0.0411389000000000, 0.0525083800000000, 0.0065278800000000 ] - [ -0.0465253200000000, -0.0543627000000000, 0.0073197000000000 ] - [ -0.0412476200000000, -0.0526389400000000, 0.0065065400000000 ] - [ 0.0481444000000000, -0.0540322700000000, -0.0178899900000000 ] - [ 0.0413380600000000, -0.0526664300000000, -0.0068913400000000 ] - [ -0.0293876800000000, -0.0107041800000000, 0.0065370000000000 ] - [ -0.0288355500000000, -0.0110491300000000, 0.0062542800000000 ] - [ 0.0291373300000000, -0.0106957000000000, -0.0073462700000000 ] - [ 0.0288207800000000, -0.0113231800000000, -0.0069987600000000 ] - [ 0.0316412100000000, 0.0112035200000000, -0.0088691200000000 ] - [ 0.0292453700000000, 0.0107123000000000, -0.0071191300000000 ] - [ -0.0393101600000000, 0.0120656900000000, 0.0017280300000000 ] - [ -0.0293886300000000, 0.0106965000000000, 0.0071712700000000 ] - [ 0.0135094600000000, -0.0002395300000000, -0.0098765300000000 ] - [ 0.0118976300000000, -0.0000592300000000, -0.0104696700000000 ] - [ -0.0114609500000000, 0.0001958800000000, 0.0113665800000000 ] - [ -0.0117356200000000, 0.0000919700000000, 0.0108901000000000 ] - [ 0.0044660600000000, 0.0001167900000000, -0.0173325300000000 ] - [ 0.0043592700000000, 0.0007593200000000, -0.0166976000000000 ] - [ -0.0045966000000000, 0.0003154700000000, 0.0169374200000000 ] - [ -0.0059328400000000, 0.0038924500000000, 0.0111639300000000 ] - [ 0.0182745300000000, -0.0001515500000000, -0.0038070700000000 ] - [ 0.0179137700000000, 0.0000055200000000, -0.0035540300000000 ] - [ -0.0181128400000000, -0.0000506500000000, 0.0034485600000000 ] - [ -0.0178900000000000, -0.0000164200000000, 0.0035908500000000 ] - [ 0.0165100500000000, 0.0054861300000000, 0.0114381000000000 ] - [ 0.0140422200000000, -0.0001844400000000, 0.0144331400000000 ] - [ 0.0058371000000000, -0.0308999500000000, -0.0430179100000000 ] - [ -0.0130925700000000, -0.0005671900000000, -0.0159374200000000 ] - [ -0.0170160700000000, 0.0350884200000000, -0.0029147100000000 ] - [ -0.0153912600000000, 0.0341369300000000, -0.0031093200000000 ] - [ 0.0163740200000000, 0.0345876800000000, 0.0023956000000000 ] - [ 0.0153723300000000, 0.0341782800000000, 0.0030871200000000 ] - [ 0.0153694200000000, -0.0341776700000000, 0.0031267800000000 ] - [ 0.0153948200000000, -0.0342627100000000, 0.0031285300000000 ] - [ -0.0153598500000000, -0.0341780500000000, -0.0030991900000000 ] - [ -0.0152550900000000, -0.0342510900000000, -0.0031499000000000 ] - [ -0.0701226900000000, -0.0221811000000000, 0.1852820100000000 ] - [ -0.0303292700000000, -0.0312139600000000, 0.0361999000000000 ] - [ 0.0417044000000000, -0.0288667900000000, -0.1169673800000000 ] - [ 0.0297639900000000, -0.0310909400000000, -0.0348443300000000 ] - [ 0.0301564000000000, 0.0291709500000000, -0.0351511100000000 ] - [ 0.0294356000000000, 0.0301197100000000, -0.0330099000000000 ] - [ -0.0344475600000000, 0.0314926500000000, 0.0395482800000000 ] - [ -0.0303839500000000, 0.0312245200000000, 0.0348435500000000 ] - [ 0.0006247600000000, 0.0096598300000000, 0.0090500200000000 ] - [ -0.0006037000000000, 0.0101117700000000, 0.0120382000000000 ] - [ -0.0001131100000000, 0.0099127000000000, -0.0110512900000000 ] - [ 0.0006305900000000, 0.0101053200000000, -0.0120041400000000 ] - [ 0.0006145600000000, -0.0100490200000000, -0.0121378900000000 ] - [ 0.0007958900000000, -0.0102702700000000, -0.0118755200000000 ] - [ -0.0006016700000000, -0.0101610400000000, 0.0120961400000000 ] - [ -0.0008872900000000, -0.0105201400000000, 0.0119601500000000 ] - [ 0.0412540800000000, 0.0525190800000000, -0.0071534600000000 ] - [ 0.0412265000000000, 0.0525585500000000, -0.0067129500000000 ] - [ -0.0411872500000000, 0.0525480000000000, 0.0064892200000000 ] - [ -0.0411704200000000, 0.0524729000000000, 0.0065938900000000 ] - [ -0.0414028400000000, -0.0525798000000000, 0.0063828400000000 ] - [ -0.0415218100000000, -0.0528558100000000, 0.0064458400000000 ] - [ 0.0406903700000000, -0.0528176500000000, -0.0072383600000000 ] - [ 0.0419635400000000, -0.0528172100000000, -0.0067119900000000 ] - [ -0.0292526400000000, -0.0108454000000000, 0.0069333200000000 ] - [ -0.0292320100000000, -0.0107587300000000, 0.0070215500000000 ] - [ 0.0292243100000000, -0.0108204900000000, -0.0071645300000000 ] - [ 0.0292329600000000, -0.0108585300000000, -0.0071369000000000 ] - [ 0.0291677300000000, 0.0107711500000000, -0.0072165600000000 ] - [ 0.0294207200000000, 0.0107873700000000, -0.0072587100000000 ] - [ -0.0291155400000000, 0.0109531800000000, 0.0068997900000000 ] - [ -0.0292751200000000, 0.0108405700000000, 0.0071943900000000 ] - [ 0.0120446400000000, 0.0001630900000000, -0.0104691200000000 ] - [ 0.0137613500000000, 0.0024110200000000, -0.0106146000000000 ] - [ -0.0117719500000000, 0.0000905500000000, 0.0109250900000000 ] - [ -0.0112779500000000, 0.0005465600000000, 0.0116540200000000 ] - [ 0.0043574100000000, -0.0000382500000000, -0.0172261800000000 ] - [ 0.0044784700000000, 0.0000024000000000, -0.0171429600000000 ] - [ -0.0043313500000000, 0.0000152200000000, 0.0169294700000000 ] - [ -0.0044434600000000, 0.0000144300000000, 0.0170400600000000 ] - [ 0.0178989700000000, 0.0000003500000000, -0.0036768400000000 ] - [ 0.0180493600000000, -0.0000747800000000, -0.0035170600000000 ] - [ -0.0179146500000000, 0.0000271700000000, 0.0036671600000000 ] - [ -0.0181430500000000, -0.0000540000000000, 0.0034271600000000 ] - [ 0.0138591800000000, -0.0000121000000000, 0.0149517100000000 ] - [ 0.0137839800000000, 0.0001217400000000, 0.0149139100000000 ] - [ -0.0140524800000000, 0.0001507100000000, -0.0154726900000000 ] - [ -0.0136530000000000, -0.0006737300000000, -0.0156333800000000 ] - [ -0.0152269100000000, 0.0344687200000000, -0.0030164400000000 ] - [ -0.0153276300000000, 0.0340036800000000, -0.0030666300000000 ] - [ 0.0155219200000000, 0.0343783300000000, 0.0032732800000000 ] - [ 0.0153670600000000, 0.0341372400000000, 0.0032326400000000 ] - [ 0.0153751300000000, -0.0341332600000000, 0.0031133600000000 ] - [ 0.0154129900000000, -0.0342608700000000, 0.0031121400000000 ] - [ -0.0151744000000000, -0.0341918200000000, -0.0030402900000000 ] - [ -0.0153840100000000, -0.0341871000000000, -0.0032145200000000 ] - [ -0.0290195700000000, -0.0308738200000000, 0.0349647700000000 ] - [ -0.0293120400000000, -0.0305233000000000, 0.0348731200000000 ] - [ 0.0297973600000000, -0.0309096600000000, -0.0342108800000000 ] - [ 0.0294764600000000, -0.0308999200000000, -0.0343103800000000 ] - [ 0.0294693300000000, 0.0309366800000000, -0.0341001000000000 ] - [ 0.0294579200000000, 0.0310105000000000, -0.0343235900000000 ] - [ -0.0297374200000000, 0.0312969100000000, 0.0348773800000000 ] - [ -0.0294605400000000, 0.0309628600000000, 0.0346751700000000 ] - [ -0.0005134300000000, 0.0094672400000000, 0.0112324400000000 ] - [ -0.0007327200000000, 0.0101622900000000, 0.0119643100000000 ] - [ 0.0008064700000000, 0.0103526300000000, -0.0121954900000000 ] - [ 0.0007488700000000, 0.0100938500000000, -0.0120862500000000 ] - [ 0.0006842100000000, -0.0101208500000000, -0.0119359700000000 ] - [ 0.0006113600000000, -0.0100197400000000, -0.0121825300000000 ] - [ -0.0006695800000000, -0.0102323000000000, 0.0117565700000000 ] - [ -0.0006847400000000, -0.0101156900000000, 0.0122173400000000 ] - [ -0.0114833800000000, -0.0000434300000000, 0.0167936900000000 ] - [ -0.0109358100000000, 0.0005110300000000, 0.0172621800000000 ] - [ 0.0114869200000000, -0.0001001300000000, -0.0166440200000000 ] - [ 0.0114370700000000, 0.0000265500000000, -0.0167312800000000 ] - [ -0.0377899000000000, -0.0002098000000000, 0.0131626500000000 ] - [ -0.0377302600000000, -0.0000187700000000, 0.0130078200000000 ] - [ 0.0375905800000000, -0.0013039600000000, -0.0156189300000000 ] - [ 0.0378307900000000, -0.0000157800000000, -0.0130266200000000 ] - [ -0.0199505800000000, -0.0000074900000000, 0.0119735900000000 ] - [ -0.0200687300000000, 0.0001814200000000, 0.0120036000000000 ] - [ 0.0198872000000000, 0.0000657800000000, -0.0119318900000000 ] - [ 0.0199304500000000, 0.0002241300000000, -0.0122458100000000 ] - [ -0.0161905400000000, -0.0002579700000000, 0.0201615600000000 ] - [ -0.0156419900000000, -0.0010154500000000, 0.0194053800000000 ] - [ 0.0168831900000000, 0.0000436900000000, -0.0209184300000000 ] - [ 0.0265720600000000, 0.0145955800000000, -0.0312309200000000 ] - [ -0.0106658400000000, 0.0006462700000000, 0.0173149800000000 ] - [ -0.0116008900000000, -0.0001108500000000, 0.0167588100000000 ] - [ 0.0111824700000000, -0.0002072700000000, -0.0165500300000000 ] - [ 0.0115446200000000, 0.0000306600000000, -0.0166587000000000 ] - [ -0.0377165800000000, 0.0000301200000000, 0.0130972900000000 ] - [ -0.0377609500000000, 0.0000231100000000, 0.0130862800000000 ] - [ 0.0377587400000000, 0.0000671300000000, -0.0130962800000000 ] - [ 0.0379017100000000, -0.0000089000000000, -0.0131405700000000 ] - [ -0.0199443000000000, -0.0000489600000000, 0.0119956300000000 ] - [ -0.0199307800000000, 0.0000105200000000, 0.0119743600000000 ] - [ 0.0198755400000000, 0.0000012300000000, -0.0119803200000000 ] - [ 0.0198898100000000, 0.0000118300000000, -0.0119824000000000 ] - [ -0.0162392600000000, -0.0002111400000000, 0.0201556500000000 ] - [ -0.0162506600000000, 0.0000628800000000, 0.0201837300000000 ] - [ 0.0160904200000000, 0.0002085900000000, -0.0202865000000000 ] - [ 0.0162495900000000, -0.0000366400000000, -0.0202082600000000 ]- atom: 49 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0412102900000000, 0.0526572900000000, -0.0065754700000000 ] - [ 0.0417370200000000, 0.0527015200000000, -0.0066131300000000 ] - [ -0.0412263000000000, 0.0525188300000000, 0.0066373000000000 ] - [ -0.0412953800000000, 0.0526411100000000, 0.0067225700000000 ] - [ -0.0402457500000000, -0.0525279700000000, 0.0062900400000000 ] - [ -0.0412410600000000, -0.0526361800000000, 0.0066497600000000 ] - [ 0.0386534900000000, -0.0535080400000000, -0.0025325300000000 ] - [ 0.0412510200000000, -0.0524514000000000, -0.0066585600000000 ] - [ -0.0299940900000000, -0.0110606700000000, 0.0071960000000000 ] - [ -0.0281911200000000, -0.0084768400000000, 0.0080927800000000 ] - [ 0.0292605400000000, -0.0109379500000000, -0.0071405900000000 ] - [ 0.0292238900000000, -0.0108714400000000, -0.0071660200000000 ] - [ 0.0282462700000000, 0.0102487300000000, -0.0061500100000000 ] - [ 0.0292776500000000, 0.0108357700000000, -0.0070918800000000 ] - [ 0.0418302600000000, -0.0008352700000000, 0.0256904600000000 ] - [ -0.0291035100000000, 0.0103876400000000, 0.0072437200000000 ] - [ 0.0114609200000000, -0.0002119200000000, -0.0110552200000000 ] - [ 0.0116823000000000, -0.0000055300000000, -0.0108753200000000 ] - [ -0.0116815000000000, -0.0000385800000000, 0.0107356400000000 ] - [ -0.0116600600000000, 0.0000342700000000, 0.0107589300000000 ] - [ 0.0044175400000000, 0.0000159600000000, -0.0170239500000000 ] - [ 0.0041670300000000, 0.0000467200000000, -0.0169667800000000 ] - [ -0.0040784600000000, 0.0000415800000000, 0.0170431400000000 ] - [ 0.0047114000000000, 0.0036167300000000, 0.0185669800000000 ] - [ 0.0175738000000000, 0.0005949500000000, -0.0044152000000000 ] - [ 0.0180558300000000, 0.0001343600000000, -0.0034093100000000 ] - [ -0.0180914400000000, 0.0000884100000000, 0.0035331000000000 ] - [ -0.0180243000000000, 0.0000282800000000, 0.0034950100000000 ] - [ 0.0137677000000000, -0.0000774700000000, 0.0151446200000000 ] - [ 0.0139365300000000, 0.0000673200000000, 0.0151887800000000 ] - [ -0.0139860400000000, 0.0004781100000000, -0.0152306600000000 ] - [ -0.0136233900000000, 0.0003875400000000, -0.0149294800000000 ] - [ -0.0028852400000000, 0.0326050000000000, -0.0127477700000000 ] - [ -0.0154248100000000, 0.0342745700000000, -0.0031012200000000 ] - [ 0.0134764100000000, 0.0353336700000000, 0.0113524700000000 ] - [ 0.0153346000000000, 0.0343012400000000, 0.0030551000000000 ] - [ 0.0154375500000000, -0.0342357900000000, 0.0030491100000000 ] - [ 0.0151481300000000, -0.0348669000000000, 0.0027595700000000 ] - [ -0.0153613600000000, -0.0341252100000000, -0.0030847200000000 ] - [ -0.0144502100000000, -0.0335852000000000, -0.0047875000000000 ] - [ -0.0276875700000000, -0.0305066400000000, 0.0337078300000000 ] - [ -0.0292833800000000, -0.0313083800000000, 0.0344663200000000 ] - [ 0.0284423600000000, -0.0307961200000000, -0.0340056100000000 ] - [ 0.0294608200000000, -0.0310198100000000, -0.0344409400000000 ] - [ 0.0295344300000000, 0.0311492500000000, -0.0344024400000000 ] - [ 0.0295377000000000, 0.0311572000000000, -0.0345902500000000 ] - [ -0.0296732700000000, 0.0307742700000000, 0.0343377300000000 ] - [ -0.0293873700000000, 0.0310656800000000, 0.0347328400000000 ] - [ -0.1048690800000000, 0.0178592200000000, -0.0056756500000000 ] - [ -0.0006716800000000, 0.0102764800000000, 0.0121342800000000 ] - [ 0.0040437300000000, 0.0109846300000000, -0.0123622400000000 ] - [ 0.0005961900000000, 0.0101039900000000, -0.0120839400000000 ] - [ 0.0007158800000000, -0.0100877100000000, -0.0120495000000000 ] - [ 0.0008617500000000, -0.0097521800000000, -0.0121572500000000 ] - [ -0.0008352200000000, -0.0100671600000000, 0.0120468900000000 ] - [ 0.0067969800000000, -0.0127488200000000, 0.0148163000000000 ] - [ 0.0412727200000000, 0.0526083400000000, -0.0067906800000000 ] - [ 0.0413233500000000, 0.0523227800000000, -0.0066470300000000 ] - [ -0.0413584100000000, 0.0526891800000000, 0.0067771800000000 ] - [ -0.0413179100000000, 0.0525247100000000, 0.0066191400000000 ] - [ -0.0414263500000000, -0.0527046400000000, 0.0066738300000000 ] - [ -0.0415254000000000, -0.0521795400000000, 0.0064984200000000 ] - [ 0.0411648700000000, -0.0527013500000000, -0.0066460200000000 ] - [ 0.0412834000000000, -0.0521851700000000, -0.0066485800000000 ] - [ -0.0288632700000000, -0.0102765700000000, 0.0070884200000000 ] - [ -0.0291060200000000, -0.0106368900000000, 0.0070310500000000 ] - [ 0.0290200100000000, -0.0105544500000000, -0.0070043200000000 ] - [ 0.0292357300000000, -0.0108843500000000, -0.0071560200000000 ] - [ 0.0292621100000000, 0.0107446900000000, -0.0073607500000000 ] - [ 0.0296279500000000, 0.0107016900000000, -0.0074277400000000 ] - [ -0.0292248700000000, 0.0110273300000000, 0.0073225200000000 ] - [ -0.0293220500000000, 0.0101468400000000, 0.0070221500000000 ] - [ 0.0117669000000000, 0.0000627800000000, -0.0108038600000000 ] - [ 0.0118263700000000, -0.0001220000000000, -0.0104956600000000 ] - [ -0.0117015400000000, 0.0001253700000000, 0.0107392800000000 ] - [ -0.0114565900000000, -0.0003153200000000, 0.0107796300000000 ] - [ 0.0045331800000000, -0.0002955700000000, -0.0169865400000000 ] - [ 0.0044053300000000, -0.0001233600000000, -0.0171633900000000 ] - [ -0.0045152800000000, 0.0003376500000000, 0.0169777800000000 ] - [ -0.0046450200000000, -0.0001076500000000, 0.0171261300000000 ] - [ 0.0179200300000000, 0.0000362800000000, -0.0035322400000000 ] - [ 0.0176848900000000, -0.0000477400000000, -0.0018927100000000 ] - [ -0.0179224800000000, 0.0000622500000000, 0.0035539700000000 ] - [ -0.0174812200000000, 0.0001425500000000, -0.0012344000000000 ] - [ 0.0139443900000000, 0.0000509100000000, 0.0151493000000000 ] - [ 0.0142721700000000, 0.0000115600000000, 0.0154532600000000 ] - [ -0.0139564000000000, 0.0000557300000000, -0.0151843500000000 ] - [ -0.0130387300000000, -0.0007872700000000, -0.0173816400000000 ] - [ -0.0153322700000000, 0.0342624700000000, -0.0029695000000000 ] - [ -0.0154789900000000, 0.0340187100000000, -0.0031300800000000 ] - [ 0.0152734400000000, 0.0339271700000000, 0.0035370900000000 ] - [ 0.0154203600000000, 0.0344420800000000, 0.0033207600000000 ] - [ 0.0155309200000000, -0.0341845900000000, 0.0030645100000000 ] - [ 0.0153645800000000, -0.0342747200000000, 0.0029857400000000 ] - [ -0.0153924000000000, -0.0340837900000000, -0.0030954000000000 ] - [ -0.0153165100000000, -0.0342224000000000, -0.0031266900000000 ] - [ -0.0293726600000000, -0.0309120400000000, 0.0345775200000000 ] - [ -0.0296124100000000, -0.0318113300000000, 0.0342657100000000 ] - [ 0.0294182100000000, -0.0310698200000000, -0.0345780200000000 ] - [ 0.0296533500000000, -0.0310025800000000, -0.0345595600000000 ] - [ 0.0293821900000000, 0.0310407800000000, -0.0345179400000000 ] - [ 0.0294513900000000, 0.0309950600000000, -0.0344252300000000 ] - [ -0.0293746100000000, 0.0313925600000000, 0.0345067300000000 ] - [ -0.0295153900000000, 0.0310564000000000, 0.0344803700000000 ] - [ -0.0004170700000000, 0.0101124300000000, 0.0118302400000000 ] - [ -0.0004237900000000, 0.0101586800000000, 0.0121550800000000 ] - [ 0.0004764400000000, 0.0102326900000000, -0.0117482800000000 ] - [ 0.0004784500000000, 0.0101886700000000, -0.0121929200000000 ] - [ 0.0006169900000000, -0.0100131300000000, -0.0119677800000000 ] - [ 0.0008178700000000, -0.0100717600000000, -0.0121006100000000 ] - [ -0.0005673000000000, -0.0101559100000000, 0.0119452300000000 ] - [ -0.0005271500000000, -0.0101780300000000, 0.0121519400000000 ] - [ -0.0115219000000000, 0.0000329200000000, 0.0166676400000000 ] - [ -0.0116738200000000, 0.0001715200000000, 0.0163526900000000 ] - [ 0.0115356700000000, 0.0000258200000000, -0.0166824800000000 ] - [ 0.0115293700000000, -0.0000263900000000, -0.0167035200000000 ] - [ -0.0377469400000000, 0.0000057100000000, 0.0130198000000000 ] - [ -0.0377624900000000, -0.0000074000000000, 0.0130569600000000 ] - [ 0.0388577600000000, -0.0016193900000000, -0.0135620800000000 ] - [ 0.0378446400000000, -0.0004040100000000, -0.0130896900000000 ] - [ -0.0199383600000000, 0.0000168900000000, 0.0120126000000000 ] - [ -0.0202892300000000, -0.0001622100000000, 0.0122852600000000 ] - [ 0.0198805600000000, -0.0000003700000000, -0.0120230900000000 ] - [ 0.0203546200000000, -0.0000213900000000, -0.0118947000000000 ] - [ -0.0161892200000000, -0.0000747600000000, 0.0201860800000000 ] - [ -0.0161521200000000, 0.0000078200000000, 0.0202554600000000 ] - [ 0.0162112100000000, 0.0000003300000000, -0.0201808400000000 ] - [ 0.0160889500000000, 0.0003398400000000, -0.0210830000000000 ] - [ -0.0115375600000000, 0.0000834900000000, 0.0167176600000000 ] - [ -0.0115592200000000, 0.0000937200000000, 0.0167166900000000 ] - [ 0.0116696200000000, 0.0001449500000000, -0.0167855800000000 ] - [ 0.0115764000000000, -0.0000212200000000, -0.0167172200000000 ] - [ -0.0377207500000000, 0.0000118300000000, 0.0130578800000000 ] - [ -0.0379911400000000, 0.0003275700000000, 0.0131834200000000 ] - [ 0.0377137400000000, -0.0000197400000000, -0.0130499300000000 ] - [ 0.0373778000000000, 0.0008449600000000, -0.0126228000000000 ] - [ -0.0198208100000000, -0.0001887800000000, 0.0120657200000000 ] - [ -0.0198012100000000, -0.0000105200000000, 0.0120352400000000 ] - [ 0.0200249700000000, 0.0002047500000000, -0.0121956500000000 ] - [ 0.0200134000000000, 0.0001026900000000, -0.0121517500000000 ] - [ -0.0161736300000000, 0.0000317400000000, 0.0202073200000000 ] - [ -0.0161797300000000, 0.0000267900000000, 0.0202208000000000 ] - [ 0.0160557100000000, -0.0001576600000000, -0.0200899500000000 ] - [ 0.0162097800000000, -0.0000069800000000, -0.0201981000000000 ]- atom: 49 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0412864600000000, 0.0524641400000000, -0.0067213000000000 ] - [ 0.0407676600000000, 0.0524243900000000, -0.0066918300000000 ] - [ -0.0412749700000000, 0.0526070100000000, 0.0066579800000000 ] - [ -0.0412050200000000, 0.0524812500000000, 0.0065739200000000 ] - [ -0.0422644000000000, -0.0525944600000000, 0.0070169300000000 ] - [ -0.0412600900000000, -0.0524895200000000, 0.0066450400000000 ] - [ 0.0438716600000000, -0.0516444000000000, -0.0107455400000000 ] - [ 0.0412457700000000, -0.0526732600000000, -0.0066363200000000 ] - [ -0.0285236300000000, -0.0105806100000000, 0.0070625700000000 ] - [ -0.0303375400000000, -0.0131704700000000, 0.0061414800000000 ] - [ 0.0292396900000000, -0.0107010200000000, -0.0071118200000000 ] - [ 0.0292749800000000, -0.0107669800000000, -0.0070856900000000 ] - [ 0.0302646800000000, 0.0113912400000000, -0.0081114200000000 ] - [ 0.0292220200000000, 0.0108041600000000, -0.0071599300000000 ] - [ -0.0972853500000000, 0.0214749100000000, -0.0102582700000000 ] - [ -0.0293973600000000, 0.0112490700000000, 0.0070112200000000 ] - [ 0.0119807000000000, 0.0002249000000000, -0.0104377200000000 ] - [ 0.0117531700000000, 0.0000055100000000, -0.0106045600000000 ] - [ -0.0117535300000000, 0.0000408400000000, 0.0107457800000000 ] - [ -0.0117730700000000, -0.0000357900000000, 0.0107243900000000 ] - [ 0.0044150800000000, -0.0000158700000000, -0.0170627400000000 ] - [ 0.0046694600000000, -0.0000474400000000, -0.0171224600000000 ] - [ -0.0047435900000000, -0.0000407900000000, 0.0170443100000000 ] - [ -0.0133174300000000, -0.0035936100000000, 0.0156013000000000 ] - [ 0.0182562300000000, -0.0005727500000000, -0.0026990900000000 ] - [ 0.0177871200000000, -0.0001397300000000, -0.0036962500000000 ] - [ -0.0177541900000000, -0.0000904500000000, 0.0035728100000000 ] - [ -0.0178212800000000, -0.0000267300000000, 0.0036107700000000 ] - [ 0.0140805700000000, 0.0000751300000000, 0.0151565500000000 ] - [ 0.0139115000000000, -0.0000677700000000, 0.0151150800000000 ] - [ -0.0138625400000000, -0.0004698000000000, -0.0150549600000000 ] - [ -0.0142270900000000, -0.0003868800000000, -0.0153699100000000 ] - [ -0.0279583400000000, 0.0358442300000000, 0.0068983900000000 ] - [ -0.0153707000000000, 0.0342035300000000, -0.0030245000000000 ] - [ 0.0173491800000000, 0.0331330700000000, -0.0052544600000000 ] - [ 0.0154661200000000, 0.0341797400000000, 0.0030707800000000 ] - [ 0.0153633700000000, -0.0342483000000000, 0.0030779400000000 ] - [ 0.0156708800000000, -0.0335932800000000, 0.0033741200000000 ] - [ -0.0154341600000000, -0.0343484800000000, -0.0030423200000000 ] - [ -0.0163492100000000, -0.0348868700000000, -0.0012768700000000 ] - [ -0.0312872900000000, -0.0316159100000000, 0.0351898600000000 ] - [ -0.0296604100000000, -0.0308107800000000, 0.0344067100000000 ] - [ 0.0305280000000000, -0.0313238200000000, -0.0348754500000000 ] - [ 0.0294861700000000, -0.0311021000000000, -0.0344334000000000 ] - [ 0.0294127800000000, 0.0309754700000000, -0.0344695200000000 ] - [ 0.0294092600000000, 0.0309656400000000, -0.0342851200000000 ] - [ -0.0292723000000000, 0.0313425400000000, 0.0345287200000000 ] - [ -0.0295606800000000, 0.0310420700000000, 0.0341426400000000 ] - [ 0.1003246500000000, 0.0036026100000000, 0.0281920800000000 ] - [ -0.0005874100000000, 0.0099275900000000, 0.0119832800000000 ] - [ -0.0028045200000000, 0.0092257600000000, -0.0117555100000000 ] - [ 0.0006638700000000, 0.0101013500000000, -0.0120318300000000 ] - [ 0.0005433900000000, -0.0101165400000000, -0.0120677100000000 ] - [ 0.0003958800000000, -0.0104668800000000, -0.0119549800000000 ] - [ -0.0004255800000000, -0.0101363100000000, 0.0120695800000000 ] - [ -0.0080774700000000, -0.0076777400000000, 0.0093264800000000 ] - [ 0.0412284600000000, 0.0525222800000000, -0.0064985100000000 ] - [ 0.0411772500000000, 0.0528051100000000, -0.0066495700000000 ] - [ -0.0411412900000000, 0.0524387200000000, 0.0065240200000000 ] - [ -0.0411800600000000, 0.0526017100000000, 0.0066784700000000 ] - [ -0.0410733400000000, -0.0524260600000000, 0.0066216400000000 ] - [ -0.0409701500000000, -0.0529440000000000, 0.0068007100000000 ] - [ 0.0413356000000000, -0.0524243400000000, -0.0066461900000000 ] - [ 0.0412208300000000, -0.0529511200000000, -0.0066456100000000 ] - [ -0.0296569500000000, -0.0113868100000000, 0.0071686400000000 ] - [ -0.0293941500000000, -0.0110036700000000, 0.0072241100000000 ] - [ 0.0294771100000000, -0.0110864900000000, -0.0072484700000000 ] - [ 0.0292635500000000, -0.0107539400000000, -0.0070992100000000 ] - [ 0.0292353200000000, 0.0108960200000000, -0.0068985000000000 ] - [ 0.0288732300000000, 0.0109388900000000, -0.0068220400000000 ] - [ -0.0292793600000000, 0.0106022600000000, 0.0069313700000000 ] - [ -0.0291709500000000, 0.0115129000000000, 0.0072350800000000 ] - [ 0.0116655700000000, -0.0000633100000000, -0.0106802800000000 ] - [ 0.0116033800000000, 0.0001186500000000, -0.0109802100000000 ] - [ -0.0117354200000000, -0.0001240200000000, 0.0107349800000000 ] - [ -0.0119789700000000, 0.0003199600000000, 0.0107005500000000 ] - [ 0.0042964500000000, 0.0002876900000000, -0.0171031800000000 ] - [ 0.0044227400000000, 0.0001235100000000, -0.0169238000000000 ] - [ -0.0043116300000000, -0.0003372300000000, 0.0171096500000000 ] - [ -0.0041736700000000, 0.0001084300000000, 0.0169595600000000 ] - [ 0.0179268600000000, -0.0000359800000000, -0.0035742000000000 ] - [ 0.0181410400000000, 0.0000434600000000, -0.0052669600000000 ] - [ -0.0179286300000000, -0.0000623600000000, 0.0035516100000000 ] - [ -0.0184067400000000, -0.0001639500000000, 0.0083298400000000 ] - [ 0.0139037700000000, -0.0000520200000000, 0.0151547500000000 ] - [ 0.0135714200000000, -0.0000107300000000, 0.0148478900000000 ] - [ -0.0138877800000000, -0.0000554300000000, -0.0151166600000000 ] - [ -0.0147821400000000, 0.0007705000000000, -0.0128864000000000 ] - [ -0.0154629800000000, 0.0342168000000000, -0.0031587800000000 ] - [ -0.0153145400000000, 0.0344700200000000, -0.0029937300000000 ] - [ 0.0155290000000000, 0.0345506300000000, 0.0025980200000000 ] - [ 0.0153737400000000, 0.0340298500000000, 0.0028036000000000 ] - [ 0.0152609900000000, -0.0342903000000000, 0.0030612000000000 ] - [ 0.0154356200000000, -0.0342037300000000, 0.0031371900000000 ] - [ -0.0154084000000000, -0.0344033800000000, -0.0030278500000000 ] - [ -0.0154827400000000, -0.0342583900000000, -0.0030000000000000 ] - [ -0.0295746700000000, -0.0312059100000000, 0.0342957900000000 ] - [ -0.0293382600000000, -0.0302833100000000, 0.0346062100000000 ] - [ 0.0295287900000000, -0.0310469600000000, -0.0342933800000000 ] - [ 0.0292908500000000, -0.0311198900000000, -0.0343117100000000 ] - [ 0.0295647300000000, 0.0310790500000000, -0.0343557100000000 ] - [ 0.0294956800000000, 0.0311232700000000, -0.0344485800000000 ] - [ -0.0295765500000000, 0.0307153500000000, 0.0343626500000000 ] - [ -0.0294309500000000, 0.0310602600000000, 0.0343914600000000 ] - [ -0.0008425000000000, 0.0100959800000000, 0.0122842700000000 ] - [ -0.0008475800000000, 0.0100441700000000, 0.0119620600000000 ] - [ 0.0007805200000000, 0.0099759400000000, -0.0123643500000000 ] - [ 0.0007799900000000, 0.0100158600000000, -0.0119244200000000 ] - [ 0.0006426900000000, -0.0101926600000000, -0.0121488600000000 ] - [ 0.0004411800000000, -0.0101317900000000, -0.0120161500000000 ] - [ -0.0006951600000000, -0.0100414800000000, 0.0121718700000000 ] - [ -0.0007280400000000, -0.0100309700000000, 0.0119628000000000 ] - [ -0.0115520800000000, -0.0000263400000000, 0.0167193100000000 ] - [ -0.0113957900000000, -0.0001589600000000, 0.0170534100000000 ] - [ 0.0115419200000000, -0.0000321200000000, -0.0167055600000000 ] - [ 0.0115472400000000, 0.0000196600000000, -0.0166830500000000 ] - [ -0.0377605100000000, -0.0000019200000000, 0.0131054900000000 ] - [ -0.0377472100000000, 0.0000113200000000, 0.0130690400000000 ] - [ 0.0367185900000000, 0.0016013600000000, -0.0125467500000000 ] - [ 0.0376704000000000, 0.0004021700000000, -0.0130357600000000 ] - [ -0.0198925300000000, -0.0000113600000000, 0.0120099500000000 ] - [ -0.0195417400000000, 0.0001792200000000, 0.0117405200000000 ] - [ 0.0199514300000000, -0.0000057600000000, -0.0119999100000000 ] - [ 0.0194654300000000, 0.0000155800000000, -0.0121326500000000 ] - [ -0.0162349000000000, 0.0000825200000000, 0.0202195800000000 ] - [ -0.0162698900000000, -0.0000009300000000, 0.0201457600000000 ] - [ 0.0162092500000000, -0.0000089000000000, -0.0202193500000000 ] - [ 0.0163410600000000, -0.0003259300000000, -0.0193340100000000 ] - [ -0.0115368300000000, -0.0000782200000000, 0.0166691900000000 ] - [ -0.0115158200000000, -0.0000875800000000, 0.0166696400000000 ] - [ 0.0114091800000000, -0.0001490700000000, -0.0166045800000000 ] - [ 0.0114980200000000, 0.0000154000000000, -0.0166701200000000 ] - [ -0.0377871600000000, -0.0000087200000000, 0.0130681200000000 ] - [ -0.0375206300000000, -0.0003188800000000, 0.0129378800000000 ] - [ 0.0377958300000000, 0.0000165600000000, -0.0130763000000000 ] - [ 0.0381976600000000, -0.0008754000000000, -0.0135233400000000 ] - [ -0.0200123400000000, 0.0001980300000000, 0.0119571100000000 ] - [ -0.0200329500000000, 0.0000175300000000, 0.0119872600000000 ] - [ 0.0197998500000000, -0.0002031600000000, -0.0118314400000000 ] - [ 0.0198176100000000, -0.0001061600000000, -0.0118746400000000 ] - [ -0.0162469900000000, -0.0000238800000000, 0.0201967700000000 ] - [ -0.0162429400000000, -0.0000172800000000, 0.0201859000000000 ] - [ 0.0163687600000000, 0.0001548900000000, -0.0203158200000000 ] - [ 0.0162141800000000, -0.0000015400000000, -0.0202076000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0411525900000000, 0.0529191000000000, -0.0066667400000000 ] - [ 0.0410897100000000, 0.0529197100000000, -0.0066905500000000 ] - [ -0.0412220600000000, 0.0525161900000000, 0.0066643700000000 ] - [ -0.0411575800000000, 0.0525978400000000, 0.0065496400000000 ] - [ -0.0415965400000000, -0.0524862800000000, 0.0067899000000000 ] - [ -0.0413070000000000, -0.0525983600000000, 0.0066473100000000 ] - [ 0.0422131600000000, -0.0521755500000000, -0.0068023700000000 ] - [ 0.0413415400000000, -0.0526625500000000, -0.0067568400000000 ] - [ -0.0293262200000000, -0.0115778100000000, 0.0072450800000000 ] - [ -0.0188962700000000, -0.0065155800000000, 0.0106375200000000 ] - [ 0.0292714600000000, -0.0107848600000000, -0.0071096600000000 ] - [ 0.0290665200000000, -0.0107491500000000, -0.0070453000000000 ] - [ 0.0295255400000000, 0.0109756200000000, -0.0075017800000000 ] - [ 0.0292899100000000, 0.0107587400000000, -0.0071463400000000 ] - [ -0.0463343400000000, 0.0248128100000000, -0.0010957400000000 ] - [ -0.0289981000000000, 0.0107418600000000, 0.0071903200000000 ] - [ 0.0117600000000000, -0.0000240100000000, -0.0105896300000000 ] - [ 0.0116861700000000, -0.0000211000000000, -0.0106212200000000 ] - [ -0.0118875500000000, -0.0000526200000000, 0.0105904600000000 ] - [ -0.0116784000000000, 0.0000481000000000, 0.0107629200000000 ] - [ 0.0044285000000000, 0.0000613400000000, -0.0170801800000000 ] - [ 0.0044367000000000, -0.0000988900000000, -0.0169408600000000 ] - [ -0.0045548600000000, 0.0000693600000000, 0.0169911200000000 ] - [ -0.0049572300000000, 0.0003475000000000, 0.0193510900000000 ] - [ 0.0185962700000000, -0.0001079400000000, -0.0038318500000000 ] - [ 0.0183664900000000, 0.0007924700000000, -0.0034013800000000 ] - [ -0.0179374000000000, -0.0000133000000000, 0.0035453000000000 ] - [ -0.0178810800000000, -0.0000647000000000, 0.0035880600000000 ] - [ 0.0139732000000000, 0.0000020500000000, 0.0152993500000000 ] - [ 0.0139736100000000, 0.0000407000000000, 0.0152810100000000 ] - [ -0.0145587300000000, 0.0007006400000000, -0.0155927100000000 ] - [ -0.0138624200000000, 0.0003349400000000, -0.0152677800000000 ] - [ -0.0173221400000000, 0.0490288300000000, 0.0142503900000000 ] - [ -0.0152311200000000, 0.0341599200000000, -0.0031911600000000 ] - [ 0.0147879800000000, 0.0343746100000000, 0.0020984000000000 ] - [ 0.0154817700000000, 0.0342121600000000, 0.0030524500000000 ] - [ 0.0152673700000000, -0.0341601100000000, 0.0030487100000000 ] - [ 0.0154533600000000, -0.0336489000000000, 0.0032331700000000 ] - [ -0.0156469400000000, -0.0347831300000000, -0.0029832600000000 ] - [ -0.0129758800000000, -0.0300059900000000, -0.0142260500000000 ] - [ -0.0303261900000000, -0.0306158100000000, 0.0346350600000000 ] - [ -0.0294885600000000, -0.0312464100000000, 0.0344200400000000 ] - [ 0.0299065700000000, -0.0312732800000000, -0.0344946100000000 ] - [ 0.0294256300000000, -0.0310906600000000, -0.0344437800000000 ] - [ 0.0294823200000000, 0.0313440200000000, -0.0344887500000000 ] - [ 0.0292435600000000, 0.0313094100000000, -0.0343294000000000 ] - [ -0.0297866800000000, 0.0306890900000000, 0.0342731300000000 ] - [ -0.0292604200000000, 0.0310612400000000, 0.0340638300000000 ] - [ 0.0064285500000000, -0.0802979900000000, 0.0087914200000000 ] - [ -0.0004547700000000, 0.0101362000000000, 0.0119611100000000 ] - [ -0.0002536400000000, 0.0088368700000000, -0.0112920700000000 ] - [ 0.0006277000000000, 0.0100343100000000, -0.0120004000000000 ] - [ 0.0006437400000000, -0.0100246300000000, -0.0120241000000000 ] - [ 0.0009868500000000, -0.0092821100000000, -0.0120788000000000 ] - [ -0.0006621000000000, -0.0100523100000000, 0.0120542700000000 ] - [ 0.0019674400000000, 0.0377251400000000, 0.0102976800000000 ] - [ 0.0412853400000000, 0.0529110900000000, -0.0066277200000000 ] - [ 0.0412968600000000, 0.0525224100000000, -0.0065814000000000 ] - [ -0.0411164400000000, 0.0526681800000000, 0.0064530800000000 ] - [ -0.0411846500000000, 0.0526014300000000, 0.0066132800000000 ] - [ -0.0412365600000000, -0.0524966700000000, 0.0066246000000000 ] - [ -0.0411568200000000, -0.0524820200000000, 0.0065553300000000 ] - [ 0.0413455100000000, -0.0526565000000000, -0.0065169900000000 ] - [ 0.0411655200000000, -0.0526622200000000, -0.0065659400000000 ] - [ -0.0291737900000000, -0.0109256600000000, 0.0071109000000000 ] - [ -0.0290895700000000, -0.0108231900000000, 0.0070756800000000 ] - [ 0.0289385600000000, -0.0105371700000000, -0.0067805400000000 ] - [ 0.0289660400000000, -0.0111065500000000, -0.0072279700000000 ] - [ 0.0293508400000000, 0.0102630400000000, -0.0068185900000000 ] - [ 0.0296229600000000, 0.0111668900000000, -0.0073518400000000 ] - [ -0.0290447600000000, 0.0108594300000000, 0.0070928100000000 ] - [ -0.0294243400000000, 0.0110335900000000, 0.0068175500000000 ] - [ 0.0117036500000000, -0.0000442500000000, -0.0108653300000000 ] - [ 0.0116550000000000, 0.0000734900000000, -0.0107418400000000 ] - [ -0.0117452400000000, 0.0000863500000000, 0.0108552200000000 ] - [ -0.0119218300000000, 0.0000089800000000, 0.0106596400000000 ] - [ 0.0041173600000000, 0.0008003500000000, -0.0167108300000000 ] - [ 0.0051661100000000, 0.0005294600000000, -0.0167963000000000 ] - [ -0.0040800700000000, 0.0005429100000000, 0.0169750200000000 ] - [ -0.0045715800000000, 0.0001638100000000, 0.0172593700000000 ] - [ 0.0179178300000000, 0.0001022800000000, -0.0035858000000000 ] - [ 0.0182088000000000, -0.0000497500000000, -0.0041025000000000 ] - [ -0.0179397200000000, 0.0000903900000000, 0.0035578000000000 ] - [ -0.0200941200000000, 0.0004768900000000, 0.0033634700000000 ] - [ 0.0138826400000000, 0.0000358300000000, 0.0151724300000000 ] - [ 0.0137702300000000, 0.0000725600000000, 0.0151443400000000 ] - [ -0.0139589600000000, 0.0000669100000000, -0.0151250100000000 ] - [ -0.0145781000000000, 0.0007105200000000, -0.0145768900000000 ] - [ -0.0154573800000000, 0.0341742900000000, -0.0032131000000000 ] - [ -0.0153936000000000, 0.0343359100000000, -0.0029487200000000 ] - [ 0.0155177800000000, 0.0343106000000000, 0.0032031100000000 ] - [ 0.0152941000000000, 0.0343544500000000, 0.0031423900000000 ] - [ 0.0153572900000000, -0.0340773800000000, 0.0030001600000000 ] - [ 0.0157865900000000, -0.0345825100000000, 0.0028780300000000 ] - [ -0.0153471800000000, -0.0343534100000000, -0.0031054500000000 ] - [ -0.0155101900000000, -0.0340642600000000, -0.0031443500000000 ] - [ -0.0294445500000000, -0.0310189300000000, 0.0343791800000000 ] - [ -0.0296164500000000, -0.0312122000000000, 0.0350678200000000 ] - [ 0.0295094000000000, -0.0312465500000000, -0.0344301400000000 ] - [ 0.0292506900000000, -0.0308969000000000, -0.0342389200000000 ] - [ 0.0294382100000000, 0.0310365300000000, -0.0344297000000000 ] - [ 0.0295502900000000, 0.0309921300000000, -0.0344965200000000 ] - [ -0.0292838100000000, 0.0307886100000000, 0.0343677300000000 ] - [ -0.0295562300000000, 0.0311217200000000, 0.0343948900000000 ] - [ -0.0005727400000000, 0.0102846700000000, 0.0120414900000000 ] - [ -0.0006193200000000, 0.0102841900000000, 0.0121510200000000 ] - [ 0.0005410000000000, 0.0102137200000000, -0.0119225800000000 ] - [ 0.0005014100000000, 0.0102122400000000, -0.0122050500000000 ] - [ 0.0007197400000000, -0.0100517000000000, -0.0120252800000000 ] - [ 0.0006584500000000, -0.0102136700000000, -0.0119384300000000 ] - [ -0.0005719400000000, -0.0100121200000000, 0.0121036900000000 ] - [ -0.0005571300000000, -0.0100558500000000, 0.0121299900000000 ] - [ -0.0115580900000000, 0.0001010300000000, 0.0167059400000000 ] - [ -0.0113558300000000, 0.0000842400000000, 0.0166065400000000 ] - [ 0.0115647500000000, 0.0000016300000000, -0.0166642100000000 ] - [ 0.0115415500000000, -0.0000222400000000, -0.0166238300000000 ] - [ -0.0377907700000000, -0.0000185900000000, 0.0130833300000000 ] - [ -0.0378005600000000, 0.0000564900000000, 0.0130358200000000 ] - [ 0.0378227000000000, -0.0008412900000000, -0.0131533100000000 ] - [ 0.0365964300000000, -0.0007314600000000, -0.0130101600000000 ] - [ -0.0198790800000000, -0.0000031000000000, 0.0119870300000000 ] - [ -0.0197404400000000, 0.0002435100000000, 0.0118426600000000 ] - [ 0.0199365800000000, 0.0000001800000000, -0.0119783900000000 ] - [ 0.0196901900000000, 0.0000171900000000, -0.0121613700000000 ] - [ -0.0162436800000000, -0.0000639200000000, 0.0202664500000000 ] - [ -0.0162089600000000, -0.0000033100000000, 0.0201163700000000 ] - [ 0.0162190900000000, -0.0000141400000000, -0.0201952500000000 ] - [ 0.0170338700000000, 0.0008826600000000, -0.0195755900000000 ] - [ -0.0113681700000000, -0.0000180700000000, 0.0166144900000000 ] - [ -0.0116158400000000, -0.0000125500000000, 0.0166498600000000 ] - [ 0.0114967200000000, -0.0000726900000000, -0.0167839100000000 ] - [ 0.0115317900000000, -0.0000351000000000, -0.0167919700000000 ] - [ -0.0377153300000000, 0.0000150300000000, 0.0130243200000000 ] - [ -0.0376227000000000, 0.0003327700000000, 0.0125557400000000 ] - [ 0.0377299300000000, -0.0000162300000000, -0.0130413500000000 ] - [ 0.0379231100000000, -0.0005718700000000, -0.0129562600000000 ] - [ -0.0199084800000000, -0.0000163000000000, 0.0119981000000000 ] - [ -0.0198963400000000, -0.0001290500000000, 0.0120807700000000 ] - [ 0.0200602000000000, 0.0001084000000000, -0.0109614700000000 ] - [ 0.0191143800000000, -0.0006970700000000, -0.0115226000000000 ] - [ -0.0163287400000000, 0.0000290700000000, 0.0202125700000000 ] - [ -0.0162431900000000, -0.0000930700000000, 0.0202537500000000 ] - [ 0.0162066700000000, -0.0000911000000000, -0.0202328800000000 ] - [ 0.0162271300000000, 0.0001157600000000, -0.0201173300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0413426600000000, 0.0522062800000000, -0.0066242300000000 ] - [ 0.0414019400000000, 0.0522028500000000, -0.0066094900000000 ] - [ -0.0412771000000000, 0.0526064300000000, 0.0066310000000000 ] - [ -0.0413409800000000, 0.0525259900000000, 0.0067480200000000 ] - [ -0.0409033700000000, -0.0526358400000000, 0.0065097800000000 ] - [ -0.0411927000000000, -0.0525256100000000, 0.0066492000000000 ] - [ 0.0402760800000000, -0.0529486600000000, -0.0065173400000000 ] - [ 0.0411544800000000, -0.0524620100000000, -0.0065361600000000 ] - [ -0.0291766100000000, -0.0100687500000000, 0.0070041800000000 ] - [ -0.0395640600000000, -0.0150129000000000, 0.0036226500000000 ] - [ 0.0292273700000000, -0.0108557500000000, -0.0071439400000000 ] - [ 0.0294327500000000, -0.0108969000000000, -0.0072075000000000 ] - [ 0.0289757300000000, 0.0106731700000000, -0.0067531200000000 ] - [ 0.0292095200000000, 0.0108825200000000, -0.0071078900000000 ] - [ -0.0121618700000000, -0.0030606100000000, 0.0153094700000000 ] - [ -0.0295040600000000, 0.0109051200000000, 0.0070628200000000 ] - [ 0.0116809500000000, 0.0000227900000000, -0.0108895100000000 ] - [ 0.0117551100000000, 0.0000217600000000, -0.0108559300000000 ] - [ -0.0115456500000000, 0.0000533600000000, 0.0108895700000000 ] - [ -0.0117543500000000, -0.0000473400000000, 0.0107171300000000 ] - [ 0.0044053500000000, -0.0000613300000000, -0.0170080900000000 ] - [ 0.0043942200000000, 0.0000981500000000, -0.0171499800000000 ] - [ -0.0042789300000000, -0.0000716600000000, 0.0170992900000000 ] - [ -0.0039139200000000, -0.0003740300000000, 0.0147124000000000 ] - [ 0.0172353700000000, 0.0001275300000000, -0.0032727100000000 ] - [ 0.0174637100000000, -0.0008092600000000, -0.0037032400000000 ] - [ -0.0179102900000000, 0.0000116100000000, 0.0035633100000000 ] - [ -0.0179658300000000, 0.0000647000000000, 0.0035193600000000 ] - [ 0.0138732900000000, -0.0000041700000000, 0.0149984700000000 ] - [ 0.0138726900000000, -0.0000383200000000, 0.0150178600000000 ] - [ -0.0132880500000000, -0.0007080900000000, -0.0146988200000000 ] - [ -0.0139861500000000, -0.0003277200000000, -0.0150274200000000 ] - [ -0.0134402300000000, 0.0195540500000000, -0.0204232500000000 ] - [ -0.0155667700000000, 0.0343175200000000, -0.0029352000000000 ] - [ 0.0160341200000000, 0.0341104600000000, 0.0040533600000000 ] - [ 0.0153164700000000, 0.0342693700000000, 0.0030745800000000 ] - [ 0.0155297600000000, -0.0343203200000000, 0.0030788100000000 ] - [ 0.0153513700000000, -0.0348355300000000, 0.0029013800000000 ] - [ -0.0151503700000000, -0.0336990700000000, -0.0031404900000000 ] - [ -0.0178083700000000, -0.0383354400000000, 0.0080219600000000 ] - [ -0.0286345800000000, -0.0315079000000000, 0.0342318200000000 ] - [ -0.0294574800000000, -0.0308778900000000, 0.0344511300000000 ] - [ 0.0290451100000000, -0.0308460400000000, -0.0343790700000000 ] - [ 0.0295199200000000, -0.0310321700000000, -0.0344263000000000 ] - [ 0.0294639000000000, 0.0307789700000000, -0.0343820000000000 ] - [ 0.0297065700000000, 0.0308088600000000, -0.0345436300000000 ] - [ -0.0291562000000000, 0.0314365300000000, 0.0345954200000000 ] - [ -0.0296957400000000, 0.0310591100000000, 0.0348035000000000 ] - [ -0.0078270400000000, 0.0970643500000000, 0.0154612200000000 ] - [ -0.0008047100000000, 0.0100652500000000, 0.0121569200000000 ] - [ 0.0015099100000000, 0.0113591600000000, -0.0128173300000000 ] - [ 0.0006312200000000, 0.0101711500000000, -0.0121151000000000 ] - [ 0.0006158300000000, -0.0101792600000000, -0.0120929200000000 ] - [ 0.0002724100000000, -0.0109152300000000, -0.0120338500000000 ] - [ -0.0005935900000000, -0.0101469300000000, 0.0120610200000000 ] - [ -0.0031128400000000, -0.0549249300000000, 0.0137609500000000 ] - [ 0.0412148200000000, 0.0522116300000000, -0.0066659900000000 ] - [ 0.0412034800000000, 0.0526005400000000, -0.0067159100000000 ] - [ -0.0413835600000000, 0.0524606700000000, 0.0068414000000000 ] - [ -0.0413104100000000, 0.0525242800000000, 0.0066787900000000 ] - [ -0.0412599100000000, -0.0526302400000000, 0.0066681600000000 ] - [ -0.0413461100000000, -0.0526460400000000, 0.0067399400000000 ] - [ 0.0411541500000000, -0.0524695600000000, -0.0067797500000000 ] - [ 0.0413318800000000, -0.0524578000000000, -0.0067269400000000 ] - [ -0.0293260200000000, -0.0107100200000000, 0.0071396600000000 ] - [ -0.0294100800000000, -0.0108198700000000, 0.0071788300000000 ] - [ 0.0295549100000000, -0.0111085100000000, -0.0074667600000000 ] - [ 0.0295249600000000, -0.0105395400000000, -0.0070242200000000 ] - [ 0.0291438700000000, 0.0113844400000000, -0.0074308300000000 ] - [ 0.0288726200000000, 0.0104810900000000, -0.0069004200000000 ] - [ -0.0294568100000000, 0.0107758900000000, 0.0071631800000000 ] - [ -0.0290794300000000, 0.0106076500000000, 0.0074324500000000 ] - [ 0.0117320400000000, 0.0000459100000000, -0.0106147600000000 ] - [ 0.0117822900000000, -0.0000731600000000, -0.0107421100000000 ] - [ -0.0116922600000000, -0.0000855700000000, 0.0106209700000000 ] - [ -0.0115142800000000, -0.0000086400000000, 0.0108223100000000 ] - [ 0.0047165400000000, -0.0008025100000000, -0.0173850200000000 ] - [ 0.0036707900000000, -0.0005215500000000, -0.0172959200000000 ] - [ -0.0047667300000000, -0.0005515800000000, 0.0171145200000000 ] - [ -0.0042620400000000, -0.0001620700000000, 0.0168281500000000 ] - [ 0.0179321500000000, -0.0001016700000000, -0.0035214200000000 ] - [ 0.0176188900000000, 0.0000581000000000, -0.0030277500000000 ] - [ -0.0179108300000000, -0.0000921700000000, 0.0035485700000000 ] - [ -0.0157684400000000, -0.0005134700000000, 0.0038243100000000 ] - [ 0.0139646800000000, -0.0000356100000000, 0.0151295100000000 ] - [ 0.0140724000000000, -0.0000700300000000, 0.0151510100000000 ] - [ -0.0138862200000000, -0.0000657900000000, -0.0151768100000000 ] - [ -0.0132608600000000, -0.0006989200000000, -0.0157246100000000 ] - [ -0.0153374900000000, 0.0343124000000000, -0.0029099400000000 ] - [ -0.0154018900000000, 0.0341456400000000, -0.0031779800000000 ] - [ 0.0152693400000000, 0.0341694600000000, 0.0029293600000000 ] - [ 0.0155024700000000, 0.0341266500000000, 0.0029850000000000 ] - [ 0.0154406700000000, -0.0344039500000000, 0.0031281600000000 ] - [ 0.0150090400000000, -0.0338904500000000, 0.0032490400000000 ] - [ -0.0154482100000000, -0.0341270300000000, -0.0030210900000000 ] - [ -0.0152886500000000, -0.0344211900000000, -0.0029786600000000 ] - [ -0.0295013400000000, -0.0311024500000000, 0.0344940400000000 ] - [ -0.0293412400000000, -0.0309181100000000, 0.0338283200000000 ] - [ 0.0294360100000000, -0.0308698000000000, -0.0344396200000000 ] - [ 0.0296916800000000, -0.0312109800000000, -0.0346336600000000 ] - [ 0.0295070500000000, 0.0310733300000000, -0.0344456800000000 ] - [ 0.0293957700000000, 0.0311245900000000, -0.0343753100000000 ] - [ -0.0296636800000000, 0.0313406800000000, 0.0345147500000000 ] - [ -0.0293887200000000, 0.0309970100000000, 0.0344804800000000 ] - [ -0.0006879500000000, 0.0099237700000000, 0.0120743900000000 ] - [ -0.0006353900000000, 0.0099230500000000, 0.0119659600000000 ] - [ 0.0007153000000000, 0.0099938700000000, -0.0121943600000000 ] - [ 0.0007580600000000, 0.0099926900000000, -0.0119098400000000 ] - [ 0.0005411500000000, -0.0101538500000000, -0.0120895500000000 ] - [ 0.0005999200000000, -0.0099956300000000, -0.0121761000000000 ] - [ -0.0006865300000000, -0.0101925700000000, 0.0120115900000000 ] - [ -0.0007042800000000, -0.0101490800000000, 0.0119822900000000 ] - [ -0.0115165000000000, -0.0000962100000000, 0.0166775900000000 ] - [ -0.0117172100000000, -0.0000683400000000, 0.0167928200000000 ] - [ 0.0115093400000000, -0.0000078600000000, -0.0167226800000000 ] - [ 0.0115326700000000, 0.0000157000000000, -0.0167615500000000 ] - [ -0.0377182200000000, 0.0000225600000000, 0.0130411800000000 ] - [ -0.0377102800000000, -0.0000524700000000, 0.0130877200000000 ] - [ 0.0377267200000000, 0.0008411200000000, -0.0129557300000000 ] - [ 0.0389363000000000, 0.0007231300000000, -0.0131055000000000 ] - [ -0.0199500100000000, 0.0000100300000000, 0.0120361200000000 ] - [ -0.0200835900000000, -0.0002347000000000, 0.0121772400000000 ] - [ 0.0198931800000000, -0.0000059900000000, -0.0120456300000000 ] - [ 0.0201434700000000, -0.0000222000000000, -0.0118638300000000 ] - [ -0.0161792700000000, 0.0000723600000000, 0.0201407900000000 ] - [ -0.0162134600000000, 0.0000109900000000, 0.0202898200000000 ] - [ 0.0162041300000000, 0.0000066000000000, -0.0202113300000000 ] - [ 0.0153921600000000, -0.0008877200000000, -0.0208230600000000 ] - [ -0.0117065000000000, 0.0000216500000000, 0.0167733100000000 ] - [ -0.0114593800000000, 0.0000195200000000, 0.0167364100000000 ] - [ 0.0115758100000000, 0.0000650700000000, -0.0166017000000000 ] - [ 0.0115422000000000, 0.0000306000000000, -0.0165957100000000 ] - [ -0.0377938400000000, -0.0000115600000000, 0.0130976900000000 ] - [ -0.0378804800000000, -0.0003301900000000, 0.0135527000000000 ] - [ 0.0377807700000000, 0.0000128200000000, -0.0130825000000000 ] - [ 0.0375977900000000, 0.0005536800000000, -0.0131618600000000 ] - [ -0.0199209200000000, 0.0000219400000000, 0.0120231900000000 ] - [ -0.0199329500000000, 0.0001367100000000, 0.0119415900000000 ] - [ 0.0197696700000000, -0.0001168300000000, -0.0130905800000000 ] - [ 0.0207133600000000, 0.0006899800000000, -0.0125171100000000 ] - [ -0.0160949700000000, -0.0000204400000000, 0.0201959200000000 ] - [ -0.0161801100000000, 0.0001001600000000, 0.0201560600000000 ] - [ 0.0162176300000000, 0.0000823500000000, -0.0201744300000000 ] - [ 0.0161989800000000, -0.0001237900000000, -0.0202931200000000 ]- atom: 49 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0412959200000000, 0.0525478000000000, -0.0065584900000000 ] - [ 0.0417976600000000, 0.0531719100000000, -0.0073368900000000 ] - [ -0.0412538100000000, 0.0525875100000000, 0.0066830100000000 ] - [ -0.0412334700000000, 0.0525895900000000, 0.0066130600000000 ] - [ -0.0419552100000000, -0.0526482500000000, 0.0073489700000000 ] - [ -0.0412637400000000, -0.0525475400000000, 0.0066835400000000 ] - [ 0.0495952500000000, -0.0544827800000000, -0.0040209600000000 ] - [ 0.0413172200000000, -0.0525869300000000, -0.0065990700000000 ] - [ -0.0292585200000000, -0.0108462300000000, 0.0071101200000000 ] - [ -0.0315564900000000, -0.0108016200000000, 0.0069905600000000 ] - [ 0.0292503900000000, -0.0107893100000000, -0.0071198400000000 ] - [ 0.0293167400000000, -0.0106929700000000, -0.0072811100000000 ] - [ 0.0298456600000000, 0.0111716800000000, -0.0078324300000000 ] - [ 0.0292142100000000, 0.0108558800000000, -0.0071440200000000 ] - [ -0.0285098600000000, 0.0096029300000000, 0.0167090500000000 ] - [ -0.0292641600000000, 0.0106198900000000, 0.0071091000000000 ] - [ 0.0117450400000000, -0.0000774400000000, -0.0103648000000000 ] - [ 0.0116294400000000, -0.0000071600000000, -0.0106541400000000 ] - [ -0.0118914100000000, 0.0001137600000000, 0.0107015000000000 ] - [ -0.0117314100000000, -0.0000554200000000, 0.0107066700000000 ] - [ 0.0044031100000000, -0.0000151400000000, -0.0170032600000000 ] - [ 0.0044838500000000, -0.0000484900000000, -0.0170858700000000 ] - [ -0.0043687100000000, -0.0000323600000000, 0.0170810100000000 ] - [ -0.0054878600000000, 0.0007822700000000, 0.0162124600000000 ] - [ 0.0176196900000000, -0.0004894800000000, -0.0040389900000000 ] - [ 0.0179741500000000, 0.0001950600000000, -0.0034349100000000 ] - [ -0.0179253600000000, -0.0001230800000000, 0.0037111200000000 ] - [ -0.0179279800000000, -0.0000283900000000, 0.0036617700000000 ] - [ 0.0140093600000000, -0.0000003700000000, 0.0151437600000000 ] - [ 0.0140443600000000, -0.0000820100000000, 0.0152006900000000 ] - [ -0.0143453300000000, 0.0005259300000000, -0.0151875800000000 ] - [ -0.0137939700000000, 0.0001059200000000, -0.0150798400000000 ] - [ -0.0336182000000000, 0.0452906500000000, 0.0654763000000000 ] - [ -0.0155301500000000, 0.0346363900000000, -0.0030008600000000 ] - [ 0.0210034700000000, 0.0357070500000000, 0.0051296800000000 ] - [ 0.0154150700000000, 0.0341608700000000, 0.0030664100000000 ] - [ 0.0154556700000000, -0.0342217200000000, 0.0031812000000000 ] - [ 0.0145945900000000, -0.0344008300000000, 0.0037241900000000 ] - [ -0.0149224400000000, -0.0340690000000000, -0.0034012500000000 ] - [ -0.0144806100000000, -0.0377796200000000, -0.0025153200000000 ] - [ -0.0305533600000000, -0.0312653300000000, 0.0375038600000000 ] - [ -0.0294698300000000, -0.0310790900000000, 0.0344676400000000 ] - [ 0.0310163600000000, -0.0312721200000000, -0.0351902600000000 ] - [ 0.0295410100000000, -0.0309863200000000, -0.0344695600000000 ] - [ 0.0294032700000000, 0.0311676300000000, -0.0343856600000000 ] - [ 0.0295288000000000, 0.0310156100000000, -0.0345538000000000 ] - [ -0.0294732600000000, 0.0309787700000000, 0.0344081800000000 ] - [ -0.0294506000000000, 0.0309993800000000, 0.0344636800000000 ] - [ 0.0141633000000000, 0.0053725000000000, -0.0970063600000000 ] - [ -0.0005436700000000, 0.0099568200000000, 0.0120279700000000 ] - [ -0.0006946500000000, 0.0091165300000000, -0.0112451000000000 ] - [ 0.0006146300000000, 0.0100467900000000, -0.0119944000000000 ] - [ 0.0006117200000000, -0.0100736000000000, -0.0120088000000000 ] - [ 0.0004617400000000, -0.0102278200000000, -0.0108379300000000 ] - [ -0.0005779600000000, -0.0101092900000000, 0.0117911500000000 ] - [ -0.0002731100000000, -0.0077888100000000, 0.0224622200000000 ] - [ 0.0413195900000000, 0.0526729800000000, -0.0066809900000000 ] - [ 0.0412386100000000, 0.0526508600000000, -0.0066459200000000 ] - [ -0.0413308400000000, 0.0523349000000000, 0.0064912700000000 ] - [ -0.0411644900000000, 0.0526244100000000, 0.0066246200000000 ] - [ -0.0410824500000000, -0.0528561200000000, 0.0065662700000000 ] - [ -0.0412245700000000, -0.0530919300000000, 0.0062553500000000 ] - [ 0.0412629300000000, -0.0525711500000000, -0.0066398000000000 ] - [ 0.0410967600000000, -0.0527070700000000, -0.0065226800000000 ] - [ -0.0294628700000000, -0.0111540800000000, 0.0072637600000000 ] - [ -0.0292749500000000, -0.0109000700000000, 0.0071614200000000 ] - [ 0.0294185000000000, -0.0113646700000000, -0.0070931200000000 ] - [ 0.0293747200000000, -0.0106060300000000, -0.0068822600000000 ] - [ 0.0291323000000000, 0.0112729100000000, -0.0074868200000000 ] - [ 0.0284142400000000, 0.0106354600000000, -0.0060299700000000 ] - [ -0.0291688600000000, 0.0107408800000000, 0.0070005600000000 ] - [ -0.0290996100000000, 0.0111677400000000, 0.0072397100000000 ] - [ 0.0116685600000000, -0.0000643700000000, -0.0107135000000000 ] - [ 0.0117336100000000, 0.0001327000000000, -0.0107811300000000 ] - [ -0.0117396600000000, -0.0000157300000000, 0.0106570100000000 ] - [ -0.0118160700000000, 0.0000058800000000, 0.0104828900000000 ] - [ 0.0049237300000000, -0.0003359100000000, -0.0167580300000000 ] - [ 0.0041525300000000, -0.0001713600000000, -0.0168508800000000 ] - [ -0.0048941200000000, -0.0002953000000000, 0.0169694600000000 ] - [ -0.0041363700000000, 0.0000865700000000, 0.0169662700000000 ] - [ 0.0179047400000000, -0.0000263800000000, -0.0036387500000000 ] - [ 0.0178639700000000, -0.0003507200000000, -0.0044922200000000 ] - [ -0.0181932300000000, -0.0000607100000000, 0.0037965200000000 ] - [ -0.0220467800000000, -0.0043741700000000, 0.0137694800000000 ] - [ 0.0139121900000000, -0.0000922600000000, 0.0152327500000000 ] - [ 0.0135260000000000, -0.0000030100000000, 0.0145906700000000 ] - [ -0.0139666500000000, 0.0000302800000000, -0.0151232700000000 ] - [ -0.0157029900000000, 0.0013795900000000, -0.0136554400000000 ] - [ -0.0152956500000000, 0.0341079400000000, -0.0032881900000000 ] - [ -0.0155470100000000, 0.0342309300000000, -0.0032105000000000 ] - [ 0.0156510900000000, 0.0344892500000000, 0.0034771000000000 ] - [ 0.0156185300000000, 0.0342536400000000, 0.0031448700000000 ] - [ 0.0151155400000000, -0.0342245500000000, 0.0031587600000000 ] - [ 0.0152068700000000, -0.0343386500000000, 0.0029238000000000 ] - [ -0.0153329600000000, -0.0341476200000000, -0.0031894500000000 ] - [ -0.0153030500000000, -0.0342540800000000, -0.0030931000000000 ] - [ -0.0294469000000000, -0.0312430400000000, 0.0345067200000000 ] - [ -0.0299942200000000, -0.0301561200000000, 0.0351534700000000 ] - [ 0.0295348500000000, -0.0310205000000000, -0.0343530300000000 ] - [ 0.0291787100000000, -0.0309523100000000, -0.0343370100000000 ] - [ 0.0295082700000000, 0.0310319000000000, -0.0345392100000000 ] - [ 0.0294205000000000, 0.0311947200000000, -0.0343367400000000 ] - [ -0.0297094300000000, 0.0305204500000000, 0.0346572100000000 ] - [ -0.0294501800000000, 0.0310363100000000, 0.0342675800000000 ] - [ -0.0006000200000000, 0.0101877700000000, 0.0119544600000000 ] - [ -0.0009106500000000, 0.0100687300000000, 0.0118551300000000 ] - [ 0.0005471800000000, 0.0102045100000000, -0.0117477500000000 ] - [ 0.0009679300000000, 0.0099476000000000, -0.0116138200000000 ] - [ 0.0007196400000000, -0.0100997500000000, -0.0119040000000000 ] - [ 0.0005339200000000, -0.0099974200000000, -0.0122814200000000 ] - [ -0.0007572600000000, -0.0101283800000000, 0.0119892900000000 ] - [ -0.0005697200000000, -0.0101516100000000, 0.0121667000000000 ] - [ -0.0115794400000000, -0.0000034100000000, 0.0166903400000000 ] - [ -0.0114858200000000, -0.0004530500000000, 0.0163658100000000 ] - [ 0.0115355100000000, -0.0000313600000000, -0.0167094700000000 ] - [ 0.0115675200000000, 0.0000002700000000, -0.0167215300000000 ] - [ -0.0377598700000000, -0.0000092800000000, 0.0131355800000000 ] - [ -0.0377680000000000, 0.0000517100000000, 0.0130650100000000 ] - [ 0.0382531800000000, -0.0007539800000000, -0.0132167400000000 ] - [ 0.0374230400000000, -0.0002061200000000, -0.0131363600000000 ] - [ -0.0199137300000000, -0.0000117200000000, 0.0120103000000000 ] - [ -0.0195998500000000, 0.0001504200000000, 0.0118954200000000 ] - [ 0.0199798000000000, -0.0000175300000000, -0.0119620200000000 ] - [ 0.0199735600000000, 0.0001203900000000, -0.0118451800000000 ] - [ -0.0162052700000000, -0.0000166700000000, 0.0201899100000000 ] - [ -0.0161906600000000, 0.0000645300000000, 0.0201210100000000 ] - [ 0.0162219500000000, -0.0000038400000000, -0.0201932300000000 ] - [ 0.0163715300000000, -0.0000993000000000, -0.0199061600000000 ] - [ -0.0114413200000000, 0.0000376100000000, 0.0167577500000000 ] - [ -0.0116334000000000, -0.0000367400000000, 0.0166616400000000 ] - [ 0.0114260400000000, 0.0000717000000000, -0.0165430500000000 ] - [ 0.0115592900000000, 0.0000173900000000, -0.0166985900000000 ] - [ -0.0378130700000000, -0.0000034300000000, 0.0130562900000000 ] - [ -0.0375981000000000, -0.0004206800000000, 0.0124732500000000 ] - [ 0.0378105800000000, 0.0000082300000000, -0.0130750200000000 ] - [ 0.0383469600000000, -0.0001683900000000, -0.0136295700000000 ] - [ -0.0198952700000000, 0.0000766800000000, 0.0119676500000000 ] - [ -0.0199180300000000, 0.0000461600000000, 0.0119666300000000 ] - [ 0.0185646300000000, 0.0021995600000000, -0.0112799300000000 ] - [ 0.0198988500000000, 0.0002547900000000, -0.0117611000000000 ] - [ -0.0161813300000000, 0.0000071500000000, 0.0202241800000000 ] - [ -0.0162838000000000, 0.0000041200000000, 0.0202621900000000 ] - [ 0.0163622500000000, 0.0001964000000000, -0.0204577400000000 ] - [ 0.0162512600000000, -0.0000160000000000, -0.0201587500000000 ]- atom: 49 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0412061000000000, 0.0525733400000000, -0.0067380900000000 ] - [ 0.0407121600000000, 0.0519660400000000, -0.0059795500000000 ] - [ -0.0412437500000000, 0.0525360000000000, 0.0066114200000000 ] - [ -0.0412654900000000, 0.0525333200000000, 0.0066848100000000 ] - [ -0.0405462800000000, -0.0524763600000000, 0.0059509100000000 ] - [ -0.0412343200000000, -0.0525757400000000, 0.0066114400000000 ] - [ 0.0329478900000000, -0.0506645000000000, -0.0092568500000000 ] - [ 0.0411806400000000, -0.0525372600000000, -0.0066939800000000 ] - [ -0.0292342100000000, -0.0107881000000000, 0.0071405500000000 ] - [ -0.0269908700000000, -0.0108252600000000, 0.0072353800000000 ] - [ 0.0292492400000000, -0.0108518000000000, -0.0071320300000000 ] - [ 0.0291822700000000, -0.0109509800000000, -0.0069724400000000 ] - [ 0.0286575900000000, 0.0104793100000000, -0.0064235700000000 ] - [ 0.0292856300000000, 0.0107857900000000, -0.0071074600000000 ] - [ -0.0302978800000000, 0.0120480600000000, -0.0026985700000000 ] - [ -0.0292350600000000, 0.0110191900000000, 0.0071419300000000 ] - [ 0.0116857900000000, 0.0000752000000000, -0.0111065100000000 ] - [ 0.0118055200000000, 0.0000068000000000, -0.0108239900000000 ] - [ -0.0115455700000000, -0.0001127000000000, 0.0107797300000000 ] - [ -0.0117031300000000, 0.0000537800000000, 0.0107727200000000 ] - [ 0.0044304700000000, 0.0000150900000000, -0.0170825600000000 ] - [ 0.0043414000000000, 0.0000488600000000, -0.0170026400000000 ] - [ -0.0044675200000000, 0.0000330300000000, 0.0170089700000000 ] - [ -0.0033776500000000, -0.0008002900000000, 0.0179036700000000 ] - [ 0.0182321000000000, 0.0004969600000000, -0.0030478500000000 ] - [ 0.0178728500000000, -0.0001976800000000, -0.0036688300000000 ] - [ -0.0179181500000000, 0.0001246100000000, 0.0033948500000000 ] - [ -0.0179197900000000, 0.0000286600000000, 0.0034453700000000 ] - [ 0.0138407200000000, 0.0000013400000000, 0.0151558800000000 ] - [ 0.0138031600000000, 0.0000815200000000, 0.0150997800000000 ] - [ -0.0135023300000000, -0.0005328700000000, -0.0151114300000000 ] - [ -0.0140531100000000, -0.0001053000000000, -0.0152186800000000 ] - [ 0.0033916500000000, 0.0221263400000000, -0.0751070500000000 ] - [ -0.0152714300000000, 0.0338456200000000, -0.0031282100000000 ] - [ 0.0097821700000000, 0.0327515300000000, 0.0009800600000000 ] - [ 0.0153810000000000, 0.0343204000000000, 0.0030581000000000 ] - [ 0.0153384700000000, -0.0342599100000000, 0.0029455800000000 ] - [ 0.0162057800000000, -0.0340804600000000, 0.0023919800000000 ] - [ -0.0158939100000000, -0.0344082800000000, -0.0027135100000000 ] - [ -0.0163225300000000, -0.0306982300000000, -0.0035861700000000 ] - [ -0.0283834200000000, -0.0308587800000000, 0.0313972300000000 ] - [ -0.0294746800000000, -0.0310413500000000, 0.0344079900000000 ] - [ 0.0279449600000000, -0.0308514400000000, -0.0336879300000000 ] - [ 0.0294047100000000, -0.0311351200000000, -0.0344043900000000 ] - [ 0.0295437100000000, 0.0309515800000000, -0.0344903500000000 ] - [ 0.0294194400000000, 0.0311065900000000, -0.0343252400000000 ] - [ -0.0294691900000000, 0.0311449200000000, 0.0344682900000000 ] - [ -0.0294945100000000, 0.0311140400000000, 0.0344162500000000 ] - [ -0.0156647000000000, 0.0160328200000000, 0.1251009900000000 ] - [ -0.0007132700000000, 0.0102490000000000, 0.0120896300000000 ] - [ 0.0019414400000000, 0.0111004800000000, -0.0128720100000000 ] - [ 0.0006443400000000, 0.0101575000000000, -0.0121230800000000 ] - [ 0.0006463700000000, -0.0101311300000000, -0.0121091200000000 ] - [ 0.0008009600000000, -0.0099709200000000, -0.0132799500000000 ] - [ -0.0006806800000000, -0.0100956000000000, 0.0123278600000000 ] - [ -0.0009948000000000, -0.0126164500000000, 0.0016700300000000 ] - [ 0.0411785100000000, 0.0524527700000000, -0.0066161300000000 ] - [ 0.0412592400000000, 0.0524745600000000, -0.0066499900000000 ] - [ -0.0411691500000000, 0.0527860100000000, 0.0067965800000000 ] - [ -0.0413346500000000, 0.0524996900000000, 0.0066704400000000 ] - [ -0.0414189900000000, -0.0522681900000000, 0.0067263300000000 ] - [ -0.0412736700000000, -0.0520264500000000, 0.0070316500000000 ] - [ 0.0412330300000000, -0.0525534800000000, -0.0066580900000000 ] - [ 0.0413998000000000, -0.0524181200000000, -0.0067708300000000 ] - [ -0.0290405000000000, -0.0104934800000000, 0.0069883000000000 ] - [ -0.0292246100000000, -0.0107418000000000, 0.0070924100000000 ] - [ 0.0290752700000000, -0.0102699300000000, -0.0071476000000000 ] - [ 0.0291230100000000, -0.0110383000000000, -0.0073679600000000 ] - [ 0.0293693200000000, 0.0103661800000000, -0.0067592000000000 ] - [ 0.0300840200000000, 0.0109981200000000, -0.0082183500000000 ] - [ -0.0293300600000000, 0.0109012100000000, 0.0072564600000000 ] - [ -0.0293945900000000, 0.0104742500000000, 0.0070163600000000 ] - [ 0.0117669500000000, 0.0000636800000000, -0.0107637100000000 ] - [ 0.0117000300000000, -0.0001307600000000, -0.0106963300000000 ] - [ -0.0116965100000000, 0.0000124200000000, 0.0108233900000000 ] - [ -0.0116231800000000, -0.0000116000000000, 0.0109984600000000 ] - [ 0.0039063000000000, 0.0003523400000000, -0.0173496800000000 ] - [ 0.0046798700000000, 0.0001739000000000, -0.0172474700000000 ] - [ -0.0039364300000000, 0.0002960100000000, 0.0171086900000000 ] - [ -0.0046909800000000, -0.0000879100000000, 0.0171189500000000 ] - [ 0.0179448300000000, 0.0000272400000000, -0.0034676900000000 ] - [ 0.0179626600000000, 0.0003426200000000, -0.0026265500000000 ] - [ -0.0176476600000000, 0.0000606500000000, 0.0033057400000000 ] - [ -0.0137238400000000, 0.0043890800000000, -0.0069002600000000 ] - [ 0.0139319900000000, 0.0000931200000000, 0.0150662800000000 ] - [ 0.0143179200000000, 0.0000043000000000, 0.0157060800000000 ] - [ -0.0138786800000000, -0.0000298000000000, -0.0151755000000000 ] - [ -0.0121727000000000, -0.0013678700000000, -0.0166362500000000 ] - [ -0.0155015400000000, 0.0343770200000000, -0.0028364400000000 ] - [ -0.0152504600000000, 0.0342472000000000, -0.0029189400000000 ] - [ 0.0151422700000000, 0.0339899600000000, 0.0026383400000000 ] - [ 0.0151757600000000, 0.0342264600000000, 0.0029819200000000 ] - [ 0.0156801200000000, -0.0342551300000000, 0.0029693900000000 ] - [ 0.0155882000000000, -0.0341431100000000, 0.0032025300000000 ] - [ -0.0154646900000000, -0.0343326500000000, -0.0029366600000000 ] - [ -0.0154944800000000, -0.0342289200000000, -0.0030326300000000 ] - [ -0.0295008000000000, -0.0308783600000000, 0.0343655100000000 ] - [ -0.0289701200000000, -0.0319353000000000, 0.0337356200000000 ] - [ 0.0294128400000000, -0.0310996900000000, -0.0345185200000000 ] - [ 0.0297647200000000, -0.0311662800000000, -0.0345358500000000 ] - [ 0.0294420600000000, 0.0310940500000000, -0.0343385600000000 ] - [ 0.0295274000000000, 0.0309239900000000, -0.0345380700000000 ] - [ -0.0292431200000000, 0.0315806700000000, 0.0342207400000000 ] - [ -0.0294957100000000, 0.0310845700000000, 0.0346064500000000 ] - [ -0.0006578100000000, 0.0100163200000000, 0.0121660500000000 ] - [ -0.0003511600000000, 0.0101348500000000, 0.0122606500000000 ] - [ 0.0007148500000000, 0.0099997900000000, -0.0123717400000000 ] - [ 0.0002917600000000, 0.0102591700000000, -0.0125030200000000 ] - [ 0.0005402800000000, -0.0101075600000000, -0.0122130800000000 ] - [ 0.0007264700000000, -0.0102065700000000, -0.0118352600000000 ] - [ -0.0005031300000000, -0.0100750500000000, 0.0121286900000000 ] - [ -0.0006894800000000, -0.0100551300000000, 0.0119515700000000 ] - [ -0.0114962700000000, 0.0000116200000000, 0.0166954700000000 ] - [ -0.0115898600000000, 0.0004494900000000, 0.0170128600000000 ] - [ 0.0115390500000000, 0.0000241500000000, -0.0166766100000000 ] - [ 0.0115087200000000, -0.0000065200000000, -0.0166651500000000 ] - [ -0.0377507500000000, 0.0000129400000000, 0.0129876900000000 ] - [ -0.0377418800000000, -0.0000485300000000, 0.0130583400000000 ] - [ 0.0372467200000000, 0.0007670000000000, -0.0129074500000000 ] - [ 0.0380897000000000, 0.0002045500000000, -0.0129861000000000 ] - [ -0.0199149500000000, 0.0000174600000000, 0.0120143200000000 ] - [ -0.0202290800000000, -0.0001412500000000, 0.0121323700000000 ] - [ 0.0198488100000000, 0.0000113000000000, -0.0120609800000000 ] - [ 0.0198631500000000, -0.0001257800000000, -0.0121806700000000 ] - [ -0.0162162200000000, 0.0000256100000000, 0.0202148800000000 ] - [ -0.0162318200000000, -0.0000559700000000, 0.0202843300000000 ] - [ 0.0162016800000000, -0.0000038400000000, -0.0202134200000000 ] - [ 0.0160511100000000, 0.0000946000000000, -0.0204988600000000 ] - [ -0.0116355600000000, -0.0000314600000000, 0.0166312900000000 ] - [ -0.0114433400000000, 0.0000433200000000, 0.0167247400000000 ] - [ 0.0116494600000000, -0.0000768200000000, -0.0168418500000000 ] - [ 0.0115169500000000, -0.0000225700000000, -0.0166888500000000 ] - [ -0.0376976100000000, 0.0000066700000000, 0.0130663100000000 ] - [ -0.0379164400000000, 0.0004474300000000, 0.0136484300000000 ] - [ 0.0377009600000000, -0.0000109200000000, -0.0130481600000000 ] - [ 0.0371764800000000, 0.0001687200000000, -0.0124974200000000 ] - [ -0.0199360500000000, -0.0000680100000000, 0.0120573100000000 ] - [ -0.0199116100000000, -0.0000391600000000, 0.0120568500000000 ] - [ 0.0212833300000000, -0.0022258700000000, -0.0127803900000000 ] - [ 0.0199351500000000, -0.0002601200000000, -0.0122653100000000 ] - [ -0.0162434000000000, -0.0000002300000000, 0.0201843100000000 ] - [ -0.0161403500000000, 0.0000042800000000, 0.0201478200000000 ] - [ 0.0160669000000000, -0.0001998100000000, -0.0199566400000000 ] - [ 0.0161759700000000, 0.0000057500000000, -0.0202520200000000 ]- atom: 113 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0606064700000000, 0.0733838300000000, -0.0158179600000000 ] - [ 0.0416966900000000, 0.0530317100000000, -0.0069466900000000 ] - [ -0.0414776300000000, 0.0525174000000000, 0.0065636600000000 ] - [ -0.0412933800000000, 0.0525562200000000, 0.0066523100000000 ] - [ -0.0412933800000000, -0.0525562200000000, 0.0066523100000000 ] - [ -0.0414776300000000, -0.0525174000000000, 0.0065636600000000 ] - [ 0.0416966900000000, -0.0530317100000000, -0.0069466900000000 ] - [ 0.0606064700000000, -0.0733838300000000, -0.0158179600000000 ] - [ -0.0289893500000000, -0.0100086700000000, 0.0065881700000000 ] - [ -0.0292439600000000, -0.0107264900000000, 0.0070061100000000 ] - [ 0.0292446600000000, -0.0109635700000000, -0.0070483600000000 ] - [ 0.0292429900000000, -0.0108059900000000, -0.0071441100000000 ] - [ 0.0292429900000000, 0.0108059900000000, -0.0071441100000000 ] - [ 0.0292446600000000, 0.0109635700000000, -0.0070483600000000 ] - [ -0.0292439600000000, 0.0107264900000000, 0.0070061100000000 ] - [ -0.0289893500000000, 0.0100086700000000, 0.0065881700000000 ] - [ 0.0104915700000000, 0.0000493800000000, -0.0099899300000000 ] - [ 0.0104915700000000, -0.0000493800000000, -0.0099899300000000 ] - [ -0.0117268100000000, 0.0000340600000000, 0.0107394600000000 ] - [ -0.0117268100000000, -0.0000340600000000, 0.0107394600000000 ] - [ 0.0046555000000000, 0.0000000000000000, -0.0168267500000000 ] - [ 0.0044187500000000, 0.0000000000000000, -0.0170425700000000 ] - [ -0.0045408600000000, 0.0000000000000000, 0.0173485400000000 ] - [ -0.0044740000000000, 0.0000000000000000, 0.0171014900000000 ] - [ 0.0180040500000000, 0.0000027400000000, -0.0035844000000000 ] - [ 0.0180040500000000, -0.0000027400000000, -0.0035844000000000 ] - [ -0.0179450300000000, -0.0000145000000000, 0.0035278700000000 ] - [ -0.0179450300000000, 0.0000145000000000, 0.0035278700000000 ] - [ 0.0140275000000000, -0.0000228800000000, 0.0150756400000000 ] - [ 0.0140275000000000, 0.0000228800000000, 0.0150756400000000 ] - [ -0.0141587800000000, 0.0000384200000000, -0.0148292100000000 ] - [ -0.0141587800000000, -0.0000384200000000, -0.0148292100000000 ] - [ -0.0154260500000000, 0.0342701500000000, -0.0030863000000000 ] - [ -0.0153869400000000, 0.0342631100000000, -0.0029998800000000 ] - [ 0.0153809500000000, 0.0342227900000000, 0.0030704600000000 ] - [ 0.0154094500000000, 0.0342833200000000, 0.0030464200000000 ] - [ 0.0154094500000000, -0.0342833200000000, 0.0030464200000000 ] - [ 0.0153809500000000, -0.0342227900000000, 0.0030704600000000 ] - [ -0.0153869400000000, -0.0342631100000000, -0.0029998800000000 ] - [ -0.0154260500000000, -0.0342701500000000, -0.0030863000000000 ] - [ -0.0293459400000000, -0.0312237300000000, 0.0344160000000000 ] - [ -0.0288871700000000, -0.0321317300000000, 0.0339623600000000 ] - [ 0.0294472500000000, -0.0310105500000000, -0.0343874700000000 ] - [ 0.0296205300000000, -0.0310510800000000, -0.0342835000000000 ] - [ 0.0296205300000000, 0.0310510800000000, -0.0342835000000000 ] - [ 0.0294472500000000, 0.0310105500000000, -0.0343874700000000 ] - [ -0.0288871700000000, 0.0321317300000000, 0.0339623600000000 ] - [ -0.0293459400000000, 0.0312237300000000, 0.0344160000000000 ] - [ -0.0006170600000000, 0.0100826700000000, 0.0120207500000000 ] - [ -0.0007754200000000, 0.0102782200000000, 0.0120555500000000 ] - [ 0.0006200000000000, 0.0100750100000000, -0.0120609800000000 ] - [ 0.0006147100000000, 0.0100981500000000, -0.0120298200000000 ] - [ 0.0006147100000000, -0.0100981500000000, -0.0120298200000000 ] - [ 0.0006200000000000, -0.0100750100000000, -0.0120609800000000 ] - [ -0.0007754200000000, -0.0102782200000000, 0.0120555500000000 ] - [ -0.0006170600000000, -0.0100826700000000, 0.0120207500000000 ] - [ 0.0413292500000000, 0.0525332500000000, -0.0066353500000000 ] - [ 0.0415329100000000, 0.0529389600000000, -0.0068819600000000 ] - [ -0.0413170500000000, 0.0525327800000000, 0.0066544300000000 ] - [ -0.0406453200000000, 0.0526249700000000, 0.0054977800000000 ] - [ -0.0406453200000000, -0.0526249700000000, 0.0054977800000000 ] - [ -0.0413170500000000, -0.0525327800000000, 0.0066544300000000 ] - [ 0.0415329100000000, -0.0529389600000000, -0.0068819600000000 ] - [ 0.0413292500000000, -0.0525332500000000, -0.0066353500000000 ] - [ -0.0292430700000000, -0.0108284700000000, 0.0071011100000000 ] - [ -0.0292005700000000, -0.0106145700000000, 0.0069654900000000 ] - [ 0.0292905500000000, -0.0107561000000000, -0.0071057700000000 ] - [ 0.0293132400000000, -0.0102553500000000, -0.0071281800000000 ] - [ 0.0293132400000000, 0.0102553500000000, -0.0071281800000000 ] - [ 0.0292905500000000, 0.0107561000000000, -0.0071057700000000 ] - [ -0.0292005700000000, 0.0106145700000000, 0.0069654900000000 ] - [ -0.0292430700000000, 0.0108284700000000, 0.0071011100000000 ] - [ 0.0115025900000000, 0.0000000000000000, -0.0106396200000000 ] - [ 0.0117051400000000, 0.0000000000000000, -0.0107282500000000 ] - [ -0.0089073900000000, 0.0000000000000000, 0.0118072500000000 ] - [ -0.0116407700000000, 0.0000000000000000, 0.0108362500000000 ] - [ 0.0044234500000000, -0.0000864600000000, -0.0173780900000000 ] - [ 0.0044234500000000, 0.0000864600000000, -0.0173780900000000 ] - [ -0.0044371500000000, 0.0000192700000000, 0.0170475300000000 ] - [ -0.0044371500000000, -0.0000192700000000, 0.0170475300000000 ] - [ 0.0178693600000000, 0.0000000000000000, -0.0034829800000000 ] - [ 0.0179321800000000, 0.0000000000000000, -0.0035351600000000 ] - [ -0.0179477900000000, 0.0000000000000000, 0.0035635100000000 ] - [ -0.0179301400000000, 0.0000000000000000, 0.0035799000000000 ] - [ 0.0140198000000000, 0.0000000000000000, 0.0150819100000000 ] - [ 0.0139229800000000, 0.0000000000000000, 0.0151534400000000 ] - [ 0.0196032700000000, 0.0000000000000000, -0.0021105900000000 ] - [ -0.0139368800000000, 0.0000000000000000, -0.0151841400000000 ] - [ -0.0153532300000000, 0.0342143400000000, -0.0030753700000000 ] - [ -0.0154300600000000, 0.0342275800000000, -0.0029978900000000 ] - [ 0.0153673400000000, 0.0342619800000000, 0.0031111900000000 ] - [ 0.0154311900000000, 0.0342046600000000, 0.0030396300000000 ] - [ 0.0154311900000000, -0.0342046600000000, 0.0030396300000000 ] - [ 0.0153673400000000, -0.0342619800000000, 0.0031111900000000 ] - [ -0.0154300600000000, -0.0342275800000000, -0.0029978900000000 ] - [ -0.0153532300000000, -0.0342143400000000, -0.0030753700000000 ] - [ -0.0270974300000000, -0.0325287800000000, 0.0342718800000000 ] - [ -0.0295634100000000, -0.0311333400000000, 0.0344728600000000 ] - [ 0.0290634300000000, -0.0307481100000000, -0.0341879700000000 ] - [ 0.0294525900000000, -0.0310543200000000, -0.0344459400000000 ] - [ 0.0294525900000000, 0.0310543200000000, -0.0344459400000000 ] - [ 0.0290634300000000, 0.0307481100000000, -0.0341879700000000 ] - [ -0.0295634100000000, 0.0311333400000000, 0.0344728600000000 ] - [ -0.0270974300000000, 0.0325287800000000, 0.0342718800000000 ] - [ -0.0006320000000000, 0.0102732600000000, 0.0121636600000000 ] - [ -0.0006547700000000, 0.0100235200000000, 0.0119515400000000 ] - [ 0.0007561200000000, 0.0101434000000000, -0.0121323100000000 ] - [ 0.0006642300000000, 0.0101086100000000, -0.0120237200000000 ] - [ 0.0006642300000000, -0.0101086100000000, -0.0120237200000000 ] - [ 0.0007561200000000, -0.0101434000000000, -0.0121323100000000 ] - [ -0.0006547700000000, -0.0100235200000000, 0.0119515400000000 ] - [ -0.0006320000000000, -0.0102732600000000, 0.0121636600000000 ] - [ -0.0917136000000000, 0.0000000000000000, 0.0224712000000000 ] - [ -0.0116870000000000, 0.0000000000000000, 0.0167483600000000 ] - [ 0.0115589300000000, 0.0000000000000000, -0.0166906300000000 ] - [ 0.0115340000000000, 0.0000000000000000, -0.0167014000000000 ] - [ -0.0377571400000000, 0.0000204400000000, 0.0130588200000000 ] - [ -0.0377571400000000, -0.0000204400000000, 0.0130588200000000 ] - [ 0.0376370500000000, -0.0000205000000000, -0.0129732700000000 ] - [ 0.0376370500000000, 0.0000205000000000, -0.0129732700000000 ] - [ -0.0199629300000000, 0.0000000000000000, 0.0119419300000000 ] - [ -0.0199226900000000, 0.0000000000000000, 0.0120057300000000 ] - [ 0.0199629100000000, 0.0000000000000000, -0.0120466700000000 ] - [ 0.0199059500000000, 0.0000000000000000, -0.0120195300000000 ] - [ -0.0161155400000000, 0.0000000000000000, 0.0210548500000000 ] - [ -0.0161916600000000, 0.0000000000000000, 0.0201771100000000 ] - [ 0.0164291800000000, 0.0000000000000000, -0.0201595500000000 ] - [ 0.0160914200000000, 0.0000000000000000, -0.0201091700000000 ] - [ -0.0112882500000000, 0.0000552900000000, 0.0166910500000000 ] - [ -0.0112882500000000, -0.0000552900000000, 0.0166910500000000 ] - [ 0.0114462300000000, 0.0000152900000000, -0.0166790700000000 ] - [ 0.0114462300000000, -0.0000152900000000, -0.0166790700000000 ] - [ -0.0378131600000000, 0.0000000000000000, 0.0130705000000000 ] - [ -0.0377625900000000, 0.0000000000000000, 0.0130498300000000 ] - [ 0.0372251100000000, 0.0000000000000000, -0.0126327200000000 ] - [ 0.0377291600000000, 0.0000000000000000, -0.0130620900000000 ] - [ -0.0199183400000000, 0.0000014200000000, 0.0120121300000000 ] - [ -0.0199183400000000, -0.0000014200000000, 0.0120121300000000 ] - [ 0.0199319200000000, -0.0000283300000000, -0.0119246100000000 ] - [ 0.0199319200000000, 0.0000283300000000, -0.0119246100000000 ] - [ -0.0162386000000000, -0.0000591300000000, 0.0201932600000000 ] - [ -0.0162386000000000, 0.0000591300000000, 0.0201932600000000 ] - [ 0.0162439600000000, -0.0002178600000000, -0.0201890100000000 ] - [ 0.0162439600000000, 0.0002178600000000, -0.0201890100000000 ]- atom: 113 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0223164200000000, 0.0324891400000000, 0.0022423000000000 ] - [ 0.0408010600000000, 0.0520976300000000, -0.0063478900000000 ] - [ -0.0410279700000000, 0.0526099500000000, 0.0067348600000000 ] - [ -0.0412096600000000, 0.0525689400000000, 0.0066438800000000 ] - [ -0.0412096600000000, -0.0525689400000000, 0.0066438800000000 ] - [ -0.0410279700000000, -0.0526099500000000, 0.0067348600000000 ] - [ 0.0408010600000000, -0.0520976300000000, -0.0063478900000000 ] - [ 0.0223164200000000, -0.0324891400000000, 0.0022423000000000 ] - [ -0.0295148200000000, -0.0116278400000000, 0.0076674200000000 ] - [ -0.0292624100000000, -0.0109144600000000, 0.0072442600000000 ] - [ 0.0292512000000000, -0.0106752900000000, -0.0072063500000000 ] - [ 0.0292508900000000, -0.0108362200000000, -0.0071072400000000 ] - [ 0.0292508900000000, 0.0108362200000000, -0.0071072400000000 ] - [ 0.0292512000000000, 0.0106752900000000, -0.0072063500000000 ] - [ -0.0292624100000000, 0.0109144600000000, 0.0072442600000000 ] - [ -0.0295148200000000, 0.0116278400000000, 0.0076674200000000 ] - [ 0.0129147300000000, -0.0000481100000000, -0.0114897000000000 ] - [ 0.0129147300000000, 0.0000481100000000, -0.0114897000000000 ] - [ -0.0117098100000000, -0.0000337700000000, 0.0107412400000000 ] - [ -0.0117098100000000, 0.0000337700000000, 0.0107412400000000 ] - [ 0.0041684500000000, 0.0000000000000000, -0.0172576200000000 ] - [ 0.0044073000000000, 0.0000000000000000, -0.0170439600000000 ] - [ -0.0042954800000000, 0.0000000000000000, 0.0167500900000000 ] - [ -0.0043634400000000, 0.0000000000000000, 0.0169898500000000 ] - [ 0.0178391300000000, -0.0000030000000000, -0.0035242500000000 ] - [ 0.0178391300000000, 0.0000030000000000, -0.0035242500000000 ] - [ -0.0179090300000000, 0.0000135700000000, 0.0035782300000000 ] - [ -0.0179090300000000, -0.0000135700000000, 0.0035782300000000 ] - [ 0.0138194900000000, 0.0000212800000000, 0.0152283600000000 ] - [ 0.0138194900000000, -0.0000212800000000, 0.0152283600000000 ] - [ -0.0136764200000000, -0.0000320800000000, -0.0154621200000000 ] - [ -0.0136764200000000, 0.0000320800000000, -0.0154621200000000 ] - [ -0.0153780000000000, 0.0342121800000000, -0.0030387700000000 ] - [ -0.0154222200000000, 0.0342256300000000, -0.0031225300000000 ] - [ 0.0154113800000000, 0.0342587300000000, 0.0030553500000000 ] - [ 0.0153818600000000, 0.0341990300000000, 0.0030801000000000 ] - [ 0.0153818600000000, -0.0341990300000000, 0.0030801000000000 ] - [ 0.0154113800000000, -0.0342587300000000, 0.0030553500000000 ] - [ -0.0154222200000000, -0.0342256300000000, -0.0031225300000000 ] - [ -0.0153780000000000, -0.0342121800000000, -0.0030387700000000 ] - [ -0.0296045700000000, -0.0308995700000000, 0.0344542400000000 ] - [ -0.0300478900000000, -0.0300302600000000, 0.0348774500000000 ] - [ 0.0294943300000000, -0.0311062800000000, -0.0344868700000000 ] - [ 0.0293311500000000, -0.0310767000000000, -0.0345886400000000 ] - [ 0.0293311500000000, 0.0310767000000000, -0.0345886400000000 ] - [ 0.0294943300000000, 0.0311062800000000, -0.0344868700000000 ] - [ -0.0300478900000000, 0.0300302600000000, 0.0348774500000000 ] - [ -0.0296045700000000, 0.0308995700000000, 0.0344542400000000 ] - [ -0.0006470400000000, 0.0101225500000000, 0.0120975800000000 ] - [ -0.0004946700000000, 0.0099163600000000, 0.0120358500000000 ] - [ 0.0006335400000000, 0.0101289500000000, -0.0120556900000000 ] - [ 0.0006377800000000, 0.0101062300000000, -0.0120865400000000 ] - [ 0.0006377800000000, -0.0101062300000000, -0.0120865400000000 ] - [ 0.0006335400000000, -0.0101289500000000, -0.0120556900000000 ] - [ -0.0004946700000000, -0.0099163600000000, 0.0120358500000000 ] - [ -0.0006470400000000, -0.0101225500000000, 0.0120975800000000 ] - [ 0.0411659600000000, 0.0525861600000000, -0.0066566000000000 ] - [ 0.0409425000000000, 0.0521564700000000, -0.0064055500000000 ] - [ -0.0411923500000000, 0.0525958600000000, 0.0066427000000000 ] - [ -0.0418760000000000, 0.0524829200000000, 0.0077923000000000 ] - [ -0.0418760000000000, -0.0524829200000000, 0.0077923000000000 ] - [ -0.0411923500000000, -0.0525958600000000, 0.0066427000000000 ] - [ 0.0409425000000000, -0.0521564700000000, -0.0064055500000000 ] - [ 0.0411659600000000, -0.0525861600000000, -0.0066566000000000 ] - [ -0.0292610900000000, -0.0108110200000000, 0.0071519600000000 ] - [ -0.0293052600000000, -0.0110183300000000, 0.0072896800000000 ] - [ 0.0292056000000000, -0.0108843900000000, -0.0071456400000000 ] - [ 0.0291897100000000, -0.0113809100000000, -0.0071205400000000 ] - [ 0.0291897100000000, 0.0113809100000000, -0.0071205400000000 ] - [ 0.0292056000000000, 0.0108843900000000, -0.0071456400000000 ] - [ -0.0293052600000000, 0.0110183300000000, 0.0072896800000000 ] - [ -0.0292610900000000, 0.0108110200000000, 0.0071519600000000 ] - [ 0.0119287900000000, 0.0000000000000000, -0.0108475200000000 ] - [ 0.0117257100000000, 0.0000000000000000, -0.0107509200000000 ] - [ -0.0145461200000000, 0.0000000000000000, 0.0096223000000000 ] - [ -0.0117951100000000, 0.0000000000000000, 0.0106483300000000 ] - [ 0.0044016700000000, 0.0000879600000000, -0.0167137000000000 ] - [ 0.0044016700000000, -0.0000879600000000, -0.0167137000000000 ] - [ -0.0043998000000000, -0.0000199600000000, 0.0170435600000000 ] - [ -0.0043998000000000, 0.0000199600000000, 0.0170435600000000 ] - [ 0.0179737800000000, 0.0000000000000000, -0.0036171700000000 ] - [ 0.0179096600000000, 0.0000000000000000, -0.0035675000000000 ] - [ -0.0179078100000000, 0.0000000000000000, 0.0035435400000000 ] - [ -0.0179220800000000, 0.0000000000000000, 0.0035261200000000 ] - [ 0.0138262500000000, 0.0000000000000000, 0.0152211200000000 ] - [ 0.0139183400000000, 0.0000000000000000, 0.0151482400000000 ] - [ -0.0492066200000000, 0.0000000000000000, -0.0292161700000000 ] - [ -0.0139189700000000, 0.0000000000000000, -0.0151166700000000 ] - [ -0.0154480500000000, 0.0342688900000000, -0.0030477700000000 ] - [ -0.0153717600000000, 0.0342532900000000, -0.0031253600000000 ] - [ 0.0154272800000000, 0.0342232700000000, 0.0030155600000000 ] - [ 0.0153627300000000, 0.0342778000000000, 0.0030885900000000 ] - [ 0.0153627300000000, -0.0342778000000000, 0.0030885900000000 ] - [ 0.0154272800000000, -0.0342232700000000, 0.0030155600000000 ] - [ -0.0153717600000000, -0.0342532900000000, -0.0031253600000000 ] - [ -0.0154480500000000, -0.0342688900000000, -0.0030477700000000 ] - [ -0.0319108400000000, -0.0295909300000000, 0.0345844000000000 ] - [ -0.0293883700000000, -0.0309876500000000, 0.0343995300000000 ] - [ 0.0298731600000000, -0.0313630900000000, -0.0346878600000000 ] - [ 0.0294866800000000, -0.0310627300000000, -0.0344285200000000 ] - [ 0.0294866800000000, 0.0310627300000000, -0.0344285200000000 ] - [ 0.0298731600000000, 0.0313630900000000, -0.0346878600000000 ] - [ -0.0293883700000000, 0.0309876500000000, 0.0343995300000000 ] - [ -0.0319108400000000, 0.0295909300000000, 0.0345844000000000 ] - [ -0.0006287700000000, 0.0099340800000000, 0.0119585200000000 ] - [ -0.0006097900000000, 0.0101791100000000, 0.0121635400000000 ] - [ 0.0004977900000000, 0.0100630000000000, -0.0119832700000000 ] - [ 0.0005900500000000, 0.0100971500000000, -0.0120929400000000 ] - [ 0.0005900500000000, -0.0100971500000000, -0.0120929400000000 ] - [ 0.0004977900000000, -0.0100630000000000, -0.0119832700000000 ] - [ -0.0006097900000000, -0.0101791100000000, 0.0121635400000000 ] - [ -0.0006287700000000, -0.0099340800000000, 0.0119585200000000 ] - [ 0.0704142100000000, 0.0000000000000000, 0.0125626800000000 ] - [ -0.0113971100000000, 0.0000000000000000, 0.0166429400000000 ] - [ 0.0115124700000000, 0.0000000000000000, -0.0166981100000000 ] - [ 0.0115353000000000, 0.0000000000000000, -0.0166842900000000 ] - [ -0.0377574300000000, -0.0000202600000000, 0.0130679400000000 ] - [ -0.0377574300000000, 0.0000202600000000, 0.0130679400000000 ] - [ 0.0378657900000000, 0.0000242600000000, -0.0131518000000000 ] - [ 0.0378657900000000, -0.0000242600000000, -0.0131518000000000 ] - [ -0.0198749100000000, 0.0000000000000000, 0.0120801400000000 ] - [ -0.0199129300000000, 0.0000000000000000, 0.0120177000000000 ] - [ 0.0198608600000000, 0.0000000000000000, -0.0119733600000000 ] - [ 0.0199186100000000, 0.0000000000000000, -0.0120015100000000 ] - [ -0.0163032300000000, 0.0000000000000000, 0.0193410400000000 ] - [ -0.0162344400000000, 0.0000000000000000, 0.0202252900000000 ] - [ 0.0160007000000000, 0.0000000000000000, -0.0202457500000000 ] - [ 0.0163241000000000, 0.0000000000000000, -0.0202918700000000 ] - [ -0.0117935200000000, -0.0000536800000000, 0.0166944400000000 ] - [ -0.0117935200000000, 0.0000536800000000, 0.0166944400000000 ] - [ 0.0116226700000000, -0.0000221900000000, -0.0167090100000000 ] - [ 0.0116226700000000, 0.0000221900000000, -0.0167090100000000 ] - [ -0.0376976900000000, 0.0000000000000000, 0.0130534500000000 ] - [ -0.0377494500000000, 0.0000000000000000, 0.0130772000000000 ] - [ 0.0382684200000000, 0.0000000000000000, -0.0134790400000000 ] - [ 0.0377716700000000, 0.0000000000000000, -0.0130598300000000 ] - [ -0.0199155100000000, -0.0000012700000000, 0.0120095300000000 ] - [ -0.0199155100000000, 0.0000012700000000, 0.0120095300000000 ] - [ 0.0198954100000000, 0.0000274300000000, -0.0120959900000000 ] - [ 0.0198954100000000, -0.0000274300000000, -0.0120959900000000 ] - [ -0.0161882500000000, 0.0000578300000000, 0.0202122100000000 ] - [ -0.0161882500000000, -0.0000578300000000, 0.0202122100000000 ] - [ 0.0161717200000000, 0.0002180400000000, -0.0202138000000000 ] - [ 0.0161717200000000, -0.0002180400000000, -0.0202138000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0608328600000000, 0.0884204600000000, -0.0193745700000000 ] - [ 0.0415510100000000, 0.0527602000000000, -0.0067248400000000 ] - [ -0.0413063300000000, 0.0525356900000000, 0.0065877400000000 ] - [ -0.0412546800000000, 0.0525376600000000, 0.0066439200000000 ] - [ -0.0412501400000000, -0.0525858100000000, 0.0066523700000000 ] - [ -0.0412003900000000, -0.0525894800000000, 0.0067112900000000 ] - [ 0.0409299600000000, -0.0523397200000000, -0.0065663300000000 ] - [ 0.0227818800000000, -0.0181122100000000, 0.0054722100000000 ] - [ -0.0288920100000000, -0.0111302300000000, 0.0059366000000000 ] - [ -0.0292680800000000, -0.0108903900000000, 0.0070614900000000 ] - [ 0.0292497000000000, -0.0108079200000000, -0.0071167200000000 ] - [ 0.0292152700000000, -0.0108241800000000, -0.0071062800000000 ] - [ 0.0292823300000000, 0.0108185600000000, -0.0071458000000000 ] - [ 0.0292495800000000, 0.0108333800000000, -0.0071376400000000 ] - [ -0.0292337600000000, 0.0107552500000000, 0.0072019400000000 ] - [ -0.0295960300000000, 0.0105093600000000, 0.0083134200000000 ] - [ 0.0130169500000000, 0.0018521300000000, -0.0112978600000000 ] - [ 0.0104795700000000, 0.0018028900000000, -0.0102219000000000 ] - [ -0.0117547100000000, 0.0000026400000000, 0.0106468100000000 ] - [ -0.0116818300000000, 0.0000035100000000, 0.0108364000000000 ] - [ 0.0044150100000000, -0.0000984400000000, -0.0170438100000000 ] - [ 0.0044156300000000, 0.0000082800000000, -0.0170447700000000 ] - [ -0.0044177400000000, 0.0002251400000000, 0.0170387700000000 ] - [ -0.0044182000000000, -0.0001107500000000, 0.0170429400000000 ] - [ 0.0178680300000000, -0.0000755700000000, -0.0035867100000000 ] - [ 0.0179766500000000, -0.0000761400000000, -0.0035172200000000 ] - [ -0.0179246400000000, -0.0000182600000000, 0.0035541500000000 ] - [ -0.0179261600000000, -0.0000174200000000, 0.0035534100000000 ] - [ 0.0138070600000000, -0.0000104900000000, 0.0151153500000000 ] - [ 0.0140369900000000, -0.0000086500000000, 0.0151862300000000 ] - [ -0.0144448200000000, -0.0001530600000000, -0.0149111100000000 ] - [ -0.0133904000000000, -0.0001390600000000, -0.0153837700000000 ] - [ -0.0153858400000000, 0.0341761500000000, -0.0030091400000000 ] - [ -0.0155553600000000, 0.0344394500000000, -0.0030995100000000 ] - [ 0.0154410800000000, 0.0342555700000000, 0.0030627300000000 ] - [ 0.0153547500000000, 0.0342088300000000, 0.0030484100000000 ] - [ 0.0154412600000000, -0.0342744000000000, 0.0030766500000000 ] - [ 0.0153548600000000, -0.0342282300000000, 0.0030630800000000 ] - [ -0.0152494900000000, -0.0340494400000000, -0.0030219500000000 ] - [ -0.0154166600000000, -0.0343092800000000, -0.0031183200000000 ] - [ -0.0295932000000000, -0.0310428700000000, 0.0344470300000000 ] - [ -0.0307513100000000, -0.0313912000000000, 0.0334982500000000 ] - [ 0.0295682400000000, -0.0310608700000000, -0.0345096100000000 ] - [ 0.0294249100000000, -0.0309456500000000, -0.0344221600000000 ] - [ 0.0295252500000000, 0.0311785900000000, -0.0344615500000000 ] - [ 0.0293756200000000, 0.0310579300000000, -0.0343674700000000 ] - [ -0.0281901300000000, 0.0307549100000000, 0.0353631900000000 ] - [ -0.0293634300000000, 0.0310749900000000, 0.0344245800000000 ] - [ -0.0006000900000000, 0.0102005300000000, 0.0120613800000000 ] - [ -0.0004608900000000, 0.0101685800000000, 0.0116303800000000 ] - [ 0.0005981800000000, 0.0101067000000000, -0.0120383000000000 ] - [ 0.0006495000000000, 0.0100828300000000, -0.0120537200000000 ] - [ 0.0006029500000000, -0.0101219800000000, -0.0120620900000000 ] - [ 0.0006569300000000, -0.0100990800000000, -0.0120787100000000 ] - [ -0.0007936200000000, -0.0100165800000000, 0.0124705400000000 ] - [ -0.0006596800000000, -0.0100044800000000, 0.0120575000000000 ] - [ 0.0411944300000000, 0.0524759100000000, -0.0066234200000000 ] - [ 0.0419031600000000, 0.0531263600000000, -0.0069348300000000 ] - [ -0.0411642300000000, 0.0523557600000000, 0.0067397600000000 ] - [ -0.0415288900000000, 0.0522258400000000, 0.0054448200000000 ] - [ -0.0409776800000000, -0.0528776300000000, 0.0078303600000000 ] - [ -0.0413358100000000, -0.0527697900000000, 0.0065591800000000 ] - [ 0.0405953700000000, -0.0520093400000000, -0.0063653800000000 ] - [ 0.0413072600000000, -0.0526513700000000, -0.0066688200000000 ] - [ -0.0292237600000000, -0.0108716400000000, 0.0071393700000000 ] - [ -0.0290883900000000, -0.0108012200000000, 0.0069440000000000 ] - [ 0.0290896300000000, -0.0109520900000000, -0.0070627100000000 ] - [ 0.0296482600000000, -0.0102421000000000, -0.0068204700000000 ] - [ 0.0288499300000000, 0.0113903500000000, -0.0074188400000000 ] - [ 0.0294071800000000, 0.0106894700000000, -0.0071891900000000 ] - [ -0.0294115800000000, 0.0108471400000000, 0.0073080500000000 ] - [ -0.0292797200000000, 0.0107703200000000, 0.0071159200000000 ] - [ 0.0117143300000000, 0.0001605600000000, -0.0107403500000000 ] - [ 0.0117150000000000, 0.0000557900000000, -0.0107408200000000 ] - [ -0.0117165200000000, 0.0047193100000000, 0.0107239100000000 ] - [ -0.0117196300000000, 0.0001567700000000, 0.0107381600000000 ] - [ 0.0045683400000000, 0.0000160600000000, -0.0166078600000000 ] - [ 0.0042631800000000, 0.0000149800000000, -0.0174909100000000 ] - [ -0.0044510200000000, 0.0000079100000000, 0.0171362800000000 ] - [ -0.0043839500000000, 0.0000089400000000, 0.0169558400000000 ] - [ 0.0179257100000000, -0.0000095700000000, -0.0035540800000000 ] - [ 0.0179226800000000, 0.0000043100000000, -0.0035527000000000 ] - [ -0.0179263900000000, -0.0001300300000000, 0.0035547200000000 ] - [ -0.0179253900000000, -0.0000068800000000, 0.0035528100000000 ] - [ 0.0139229200000000, -0.0000503300000000, 0.0151500800000000 ] - [ 0.0139210900000000, 0.0000981800000000, 0.0151494300000000 ] - [ -0.0139091100000000, 0.0044465800000000, -0.0151549200000000 ] - [ -0.0139213700000000, 0.0000656000000000, -0.0151468600000000 ] - [ -0.0153976900000000, 0.0343016500000000, -0.0030767000000000 ] - [ -0.0153488500000000, 0.0342316100000000, -0.0030600900000000 ] - [ 0.0154337000000000, 0.0342500900000000, 0.0030860200000000 ] - [ 0.0153714700000000, 0.0342558600000000, 0.0030458200000000 ] - [ 0.0154227000000000, -0.0342283500000000, 0.0030787100000000 ] - [ 0.0153589700000000, -0.0342315900000000, 0.0030400400000000 ] - [ -0.0154527500000000, -0.0342528900000000, -0.0030650100000000 ] - [ -0.0154028400000000, -0.0341817900000000, -0.0030491500000000 ] - [ -0.0300896500000000, -0.0315275500000000, 0.0335749100000000 ] - [ -0.0294893800000000, -0.0312576700000000, 0.0345512300000000 ] - [ 0.0298492300000000, -0.0310896500000000, -0.0345236200000000 ] - [ 0.0294281500000000, -0.0310737000000000, -0.0344160900000000 ] - [ 0.0295177400000000, 0.0310474500000000, -0.0344588900000000 ] - [ 0.0290828600000000, 0.0310275200000000, -0.0343403600000000 ] - [ -0.0294638600000000, 0.0308633600000000, 0.0343207500000000 ] - [ -0.0288400700000000, 0.0305622700000000, 0.0353157600000000 ] - [ -0.0005517700000000, 0.0100817500000000, 0.0121205400000000 ] - [ -0.0005392500000000, 0.0100872500000000, 0.0120458300000000 ] - [ 0.0004821400000000, 0.0100354800000000, -0.0121817300000000 ] - [ 0.0006451400000000, 0.0100698000000000, -0.0120744700000000 ] - [ 0.0006087800000000, -0.0101357500000000, -0.0120443000000000 ] - [ 0.0007755100000000, -0.0101745100000000, -0.0119347800000000 ] - [ -0.0007207800000000, -0.0101197800000000, 0.0120720400000000 ] - [ -0.0007126300000000, -0.0101217900000000, 0.0119969300000000 ] - [ -0.0125778000000000, -0.0834405300000000, 0.0173711500000000 ] - [ -0.0115369000000000, 0.0004160000000000, 0.0166884300000000 ] - [ 0.0115365900000000, -0.0000614300000000, -0.0166929300000000 ] - [ 0.0115365500000000, -0.0000055300000000, -0.0166936100000000 ] - [ -0.0377579400000000, -0.0000006800000000, 0.0130521000000000 ] - [ -0.0377544700000000, -0.0000000900000000, 0.0130723100000000 ] - [ 0.0376102300000000, -0.0001520100000000, -0.0130340700000000 ] - [ 0.0379008800000000, -0.0001532400000000, -0.0130922600000000 ] - [ -0.0199148300000000, -0.0000489300000000, 0.0120117200000000 ] - [ -0.0199155800000000, 0.0000179300000000, 0.0120117500000000 ] - [ 0.0199133200000000, 0.0000093600000000, -0.0120104200000000 ] - [ 0.0199136400000000, 0.0000288500000000, -0.0120110400000000 ] - [ -0.0162097300000000, -0.0005889500000000, 0.0202015100000000 ] - [ -0.0162132600000000, -0.0000177900000000, 0.0202041300000000 ] - [ 0.0162091900000000, -0.0001787700000000, -0.0202034800000000 ] - [ 0.0162115700000000, -0.0000369100000000, -0.0202041700000000 ] - [ -0.0115922200000000, 0.0000437200000000, 0.0166023600000000 ] - [ -0.0114832400000000, 0.0000409000000000, 0.0167829900000000 ] - [ 0.0115556500000000, 0.0005796300000000, -0.0164227200000000 ] - [ 0.0115202500000000, 0.0005737600000000, -0.0169579600000000 ] - [ -0.0377558600000000, -0.0000807100000000, 0.0130614600000000 ] - [ -0.0377572700000000, 0.0000456600000000, 0.0130624300000000 ] - [ 0.0377492600000000, 0.0000536100000000, -0.0130643800000000 ] - [ 0.0377516200000000, 0.0000005800000000, -0.0130615200000000 ] - [ -0.0199156000000000, 0.0000042500000000, 0.0120199700000000 ] - [ -0.0199173200000000, 0.0000045300000000, 0.0120028200000000 ] - [ 0.0198630000000000, 0.0001068600000000, -0.0120488000000000 ] - [ 0.0199673700000000, 0.0001070900000000, -0.0119728600000000 ] - [ -0.0161883300000000, 0.0000215500000000, 0.0201871400000000 ] - [ -0.0162394700000000, 0.0000226000000000, 0.0202219500000000 ] - [ 0.0159291100000000, 0.0003878600000000, -0.0202876100000000 ] - [ 0.0164872400000000, 0.0003792100000000, -0.0201272200000000 ]- atom: 113 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0278756000000000, 0.0354691200000000, 0.0040089400000000 ] - [ 0.0407977500000000, 0.0522601400000000, -0.0067454200000000 ] - [ -0.0412210000000000, 0.0525535600000000, 0.0066025300000000 ] - [ -0.0412285700000000, 0.0525742100000000, 0.0066638900000000 ] - [ -0.0412285700000000, -0.0525742100000000, 0.0066638900000000 ] - [ -0.0412210000000000, -0.0525535600000000, 0.0066025300000000 ] - [ 0.0407977500000000, -0.0522601400000000, -0.0067454200000000 ] - [ 0.0278756000000000, -0.0354691200000000, 0.0040089400000000 ] - [ -0.0304149300000000, -0.0127196800000000, 0.0086009200000000 ] - [ -0.0294125800000000, -0.0110787800000000, 0.0072414300000000 ] - [ 0.0292561400000000, -0.0107776500000000, -0.0071711100000000 ] - [ 0.0292352800000000, -0.0108438300000000, -0.0071273800000000 ] - [ 0.0292352800000000, 0.0108438300000000, -0.0071273800000000 ] - [ 0.0292561400000000, 0.0107776500000000, -0.0071711100000000 ] - [ -0.0294125800000000, 0.0110787800000000, 0.0072414300000000 ] - [ -0.0304149300000000, 0.0127196800000000, 0.0086009200000000 ] - [ 0.0124152000000000, -0.0000315800000000, -0.0111002800000000 ] - [ 0.0124152000000000, 0.0000315800000000, -0.0111002800000000 ] - [ -0.0117079200000000, -0.0000410100000000, 0.0106256000000000 ] - [ -0.0117079200000000, 0.0000410100000000, 0.0106256000000000 ] - [ 0.0043998400000000, 0.0000000000000000, -0.0169710800000000 ] - [ 0.0044092500000000, 0.0000000000000000, -0.0170290900000000 ] - [ -0.0037189100000000, 0.0000000000000000, 0.0163650900000000 ] - [ -0.0043331100000000, 0.0000000000000000, 0.0168824300000000 ] - [ 0.0177734200000000, -0.0001103300000000, -0.0036330200000000 ] - [ 0.0177734200000000, 0.0001103300000000, -0.0036330200000000 ] - [ -0.0179357600000000, -0.0000062700000000, 0.0035208000000000 ] - [ -0.0179357600000000, 0.0000062700000000, 0.0035208000000000 ] - [ 0.0139176500000000, -0.0000871900000000, 0.0151601800000000 ] - [ 0.0139176500000000, 0.0000871900000000, 0.0151601800000000 ] - [ -0.0132513400000000, -0.0000267500000000, -0.0149534100000000 ] - [ -0.0132513400000000, 0.0000267500000000, -0.0149534100000000 ] - [ -0.0154405600000000, 0.0342501000000000, -0.0029813700000000 ] - [ -0.0155451500000000, 0.0344159600000000, -0.0031771600000000 ] - [ 0.0154041200000000, 0.0342644500000000, 0.0030427200000000 ] - [ 0.0152499200000000, 0.0341989100000000, 0.0030736100000000 ] - [ 0.0152499200000000, -0.0341989100000000, 0.0030736100000000 ] - [ 0.0154041200000000, -0.0342644500000000, 0.0030427200000000 ] - [ -0.0155451500000000, -0.0344159600000000, -0.0031771600000000 ] - [ -0.0154405600000000, -0.0342501000000000, -0.0029813700000000 ] - [ -0.0295070400000000, -0.0311098200000000, 0.0343461500000000 ] - [ -0.0298808800000000, -0.0316096700000000, 0.0339303600000000 ] - [ 0.0294687500000000, -0.0310595200000000, -0.0345045400000000 ] - [ 0.0293419500000000, -0.0311413200000000, -0.0344700600000000 ] - [ 0.0293419500000000, 0.0311413200000000, -0.0344700600000000 ] - [ 0.0294687500000000, 0.0310595200000000, -0.0345045400000000 ] - [ -0.0298808800000000, 0.0316096700000000, 0.0339303600000000 ] - [ -0.0295070400000000, 0.0311098200000000, 0.0343461500000000 ] - [ -0.0006600000000000, 0.0101215500000000, 0.0120592900000000 ] - [ -0.0009249600000000, 0.0099581600000000, 0.0116230600000000 ] - [ 0.0006427600000000, 0.0100821700000000, -0.0120717500000000 ] - [ 0.0006240400000000, 0.0100383800000000, -0.0120991200000000 ] - [ 0.0006240400000000, -0.0100383800000000, -0.0120991200000000 ] - [ 0.0006427600000000, -0.0100821700000000, -0.0120717500000000 ] - [ -0.0009249600000000, -0.0099581600000000, 0.0116230600000000 ] - [ -0.0006600000000000, -0.0101215500000000, 0.0120592900000000 ] - [ 0.0412734500000000, 0.0524120600000000, -0.0065431300000000 ] - [ 0.0410227900000000, 0.0517363600000000, -0.0063621700000000 ] - [ -0.0411610300000000, 0.0525653800000000, 0.0065612100000000 ] - [ -0.0429712400000000, 0.0504073900000000, 0.0085627900000000 ] - [ -0.0429712400000000, -0.0504073900000000, 0.0085627900000000 ] - [ -0.0411610300000000, -0.0525653800000000, 0.0065612100000000 ] - [ 0.0410227900000000, -0.0517363600000000, -0.0063621700000000 ] - [ 0.0412734500000000, -0.0524120600000000, -0.0065431300000000 ] - [ -0.0292793000000000, -0.0108043900000000, 0.0071740700000000 ] - [ -0.0291863200000000, -0.0108337500000000, 0.0073844400000000 ] - [ 0.0291218400000000, -0.0109435400000000, -0.0070935900000000 ] - [ 0.0292215600000000, -0.0112984200000000, -0.0072191600000000 ] - [ 0.0292215600000000, 0.0112984200000000, -0.0072191600000000 ] - [ 0.0291218400000000, 0.0109435400000000, -0.0070935900000000 ] - [ -0.0291863200000000, 0.0108337500000000, 0.0073844400000000 ] - [ -0.0292793000000000, 0.0108043900000000, 0.0071740700000000 ] - [ 0.0117838600000000, 0.0000000000000000, -0.0109815300000000 ] - [ 0.0117190400000000, 0.0000000000000000, -0.0107966300000000 ] - [ -0.0108564800000000, 0.0000000000000000, 0.0514174400000000 ] - [ -0.0117420800000000, 0.0000000000000000, 0.0107167700000000 ] - [ 0.0044269400000000, 0.0001652900000000, -0.0167839100000000 ] - [ 0.0044269400000000, -0.0001652900000000, -0.0167839100000000 ] - [ -0.0044379500000000, -0.0000225200000000, 0.0170581500000000 ] - [ -0.0044379500000000, 0.0000225200000000, 0.0170581500000000 ] - [ 0.0182220200000000, 0.0000000000000000, -0.0034791700000000 ] - [ 0.0179201300000000, 0.0000000000000000, -0.0035333200000000 ] - [ -0.0178566600000000, 0.0000000000000000, 0.0037903100000000 ] - [ -0.0179033200000000, 0.0000000000000000, 0.0034997800000000 ] - [ 0.0139208000000000, 0.0000000000000000, 0.0151947600000000 ] - [ 0.0139456000000000, 0.0000000000000000, 0.0151779700000000 ] - [ -0.0098731400000000, 0.0000000000000000, -0.0093173800000000 ] - [ -0.0138814100000000, 0.0000000000000000, -0.0151096400000000 ] - [ -0.0154171800000000, 0.0342747400000000, -0.0029913400000000 ] - [ -0.0153753700000000, 0.0342426800000000, -0.0030306700000000 ] - [ 0.0154766100000000, 0.0342088700000000, 0.0029969400000000 ] - [ 0.0154075200000000, 0.0341746100000000, 0.0031605100000000 ] - [ 0.0154075200000000, -0.0341746100000000, 0.0031605100000000 ] - [ 0.0154766100000000, -0.0342088700000000, 0.0029969400000000 ] - [ -0.0153753700000000, -0.0342426800000000, -0.0030306700000000 ] - [ -0.0154171800000000, -0.0342747400000000, -0.0029913400000000 ] - [ -0.0305192400000000, -0.0317772800000000, 0.0337587600000000 ] - [ -0.0294765400000000, -0.0310707800000000, 0.0343535900000000 ] - [ 0.0298620600000000, -0.0313239000000000, -0.0345680800000000 ] - [ 0.0294890100000000, -0.0310479900000000, -0.0344655700000000 ] - [ 0.0294890100000000, 0.0310479900000000, -0.0344655700000000 ] - [ 0.0298620600000000, 0.0313239000000000, -0.0345680800000000 ] - [ -0.0294765400000000, 0.0310707800000000, 0.0343535900000000 ] - [ -0.0305192400000000, 0.0317772800000000, 0.0337587600000000 ] - [ -0.0006073400000000, 0.0099756400000000, 0.0120977800000000 ] - [ -0.0006015800000000, 0.0100837700000000, 0.0120644800000000 ] - [ 0.0005020000000000, 0.0101748400000000, -0.0119139300000000 ] - [ 0.0005951900000000, 0.0101937000000000, -0.0120813700000000 ] - [ 0.0005951900000000, -0.0101937000000000, -0.0120813700000000 ] - [ 0.0005020000000000, -0.0101748400000000, -0.0119139300000000 ] - [ -0.0006015800000000, -0.0100837700000000, 0.0120644800000000 ] - [ -0.0006073400000000, -0.0099756400000000, 0.0120977800000000 ] - [ 0.0175056600000000, 0.0000000000000000, -0.0544336900000000 ] - [ -0.0114458100000000, 0.0000000000000000, 0.0167026600000000 ] - [ 0.0115328400000000, 0.0000000000000000, -0.0166924300000000 ] - [ 0.0115281200000000, 0.0000000000000000, -0.0166811600000000 ] - [ -0.0377636900000000, -0.0000016700000000, 0.0130734700000000 ] - [ -0.0377636900000000, 0.0000016700000000, 0.0130734700000000 ] - [ 0.0377575400000000, -0.0000130400000000, -0.0128746300000000 ] - [ 0.0377575400000000, 0.0000130400000000, -0.0128746300000000 ] - [ -0.0198580600000000, 0.0000000000000000, 0.0121037700000000 ] - [ -0.0198937200000000, 0.0000000000000000, 0.0120194700000000 ] - [ 0.0198622900000000, 0.0000000000000000, -0.0120015500000000 ] - [ 0.0199029300000000, 0.0000000000000000, -0.0120238700000000 ] - [ -0.0157428800000000, 0.0000000000000000, 0.0206243100000000 ] - [ -0.0162096300000000, 0.0000000000000000, 0.0202130700000000 ] - [ 0.0162486500000000, 0.0000000000000000, -0.0202488800000000 ] - [ 0.0162679000000000, 0.0000000000000000, -0.0202269700000000 ] - [ -0.0116154900000000, 0.0000692500000000, 0.0166218200000000 ] - [ -0.0116154900000000, -0.0000692500000000, 0.0166218200000000 ] - [ 0.0115743000000000, 0.0002490700000000, -0.0166315700000000 ] - [ 0.0115743000000000, -0.0002490700000000, -0.0166315700000000 ] - [ -0.0377375500000000, 0.0000000000000000, 0.0130237000000000 ] - [ -0.0377873500000000, 0.0000000000000000, 0.0130863300000000 ] - [ 0.0373208000000000, 0.0000000000000000, -0.0136357900000000 ] - [ 0.0377513800000000, 0.0000000000000000, -0.0130541000000000 ] - [ -0.0199058300000000, -0.0000011200000000, 0.0120176700000000 ] - [ -0.0199058300000000, 0.0000011200000000, 0.0120176700000000 ] - [ 0.0200151800000000, 0.0000842200000000, -0.0120101300000000 ] - [ 0.0200151800000000, -0.0000842200000000, -0.0120101300000000 ] - [ -0.0162164200000000, 0.0000694300000000, 0.0201824500000000 ] - [ -0.0162164200000000, -0.0000694300000000, 0.0201824500000000 ] - [ 0.0162161300000000, 0.0000754300000000, -0.0202644900000000 ] - [ 0.0162161300000000, -0.0000754300000000, -0.0202644900000000 ]- atom: 113 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0549365100000000, 0.0701654200000000, -0.0173636700000000 ] - [ 0.0417030000000000, 0.0528650700000000, -0.0065481400000000 ] - [ -0.0412815500000000, 0.0525733100000000, 0.0066930200000000 ] - [ -0.0412710300000000, 0.0525469000000000, 0.0066303400000000 ] - [ -0.0412710300000000, -0.0525469000000000, 0.0066303400000000 ] - [ -0.0412815500000000, -0.0525733100000000, 0.0066930200000000 ] - [ 0.0417030000000000, -0.0528650700000000, -0.0065481400000000 ] - [ 0.0549365100000000, -0.0701654200000000, -0.0173636700000000 ] - [ -0.0280469200000000, -0.0089008100000000, 0.0056159700000000 ] - [ -0.0290892800000000, -0.0105629200000000, 0.0070092700000000 ] - [ 0.0292408800000000, -0.0108648100000000, -0.0070783100000000 ] - [ 0.0292613500000000, -0.0107967300000000, -0.0071235800000000 ] - [ 0.0292613500000000, 0.0107967300000000, -0.0071235800000000 ] - [ 0.0292408800000000, 0.0108648100000000, -0.0070783100000000 ] - [ -0.0290892800000000, 0.0105629200000000, 0.0070092700000000 ] - [ -0.0280469200000000, 0.0089008100000000, 0.0056159700000000 ] - [ 0.0110075700000000, 0.0000293100000000, -0.0103701800000000 ] - [ 0.0110075700000000, -0.0000293100000000, -0.0103701800000000 ] - [ -0.0117251500000000, 0.0000417700000000, 0.0108610400000000 ] - [ -0.0117251500000000, -0.0000417700000000, 0.0108610400000000 ] - [ 0.0044308300000000, 0.0000000000000000, -0.0171154600000000 ] - [ 0.0044188300000000, 0.0000000000000000, -0.0170596600000000 ] - [ -0.0051232100000000, 0.0000000000000000, 0.0177294100000000 ] - [ -0.0045022100000000, 0.0000000000000000, 0.0172040800000000 ] - [ 0.0180711400000000, 0.0001110000000000, -0.0034731400000000 ] - [ 0.0180711400000000, -0.0001110000000000, -0.0034731400000000 ] - [ -0.0179123000000000, 0.0000065800000000, 0.0035875500000000 ] - [ -0.0179123000000000, -0.0000065800000000, 0.0035875500000000 ] - [ 0.0139249100000000, 0.0000868100000000, 0.0151393100000000 ] - [ 0.0139249100000000, -0.0000868100000000, 0.0151393100000000 ] - [ -0.0146037700000000, 0.0000230800000000, -0.0153543100000000 ] - [ -0.0146037700000000, -0.0000230800000000, -0.0153543100000000 ] - [ -0.0153591800000000, 0.0342294800000000, -0.0031413400000000 ] - [ -0.0152530000000000, 0.0340613400000000, -0.0029576300000000 ] - [ 0.0153907100000000, 0.0342156600000000, 0.0030851200000000 ] - [ 0.0155470700000000, 0.0342806500000000, 0.0030535600000000 ] - [ 0.0155470700000000, -0.0342806500000000, 0.0030535600000000 ] - [ 0.0153907100000000, -0.0342156600000000, 0.0030851200000000 ] - [ -0.0152530000000000, -0.0340613400000000, -0.0029576300000000 ] - [ -0.0153591800000000, -0.0342294800000000, -0.0031413400000000 ] - [ -0.0294432800000000, -0.0310071900000000, 0.0345330300000000 ] - [ -0.0290699700000000, -0.0305022800000000, 0.0349518500000000 ] - [ 0.0294738100000000, -0.0310581100000000, -0.0343663400000000 ] - [ 0.0296061300000000, -0.0309760100000000, -0.0343980700000000 ] - [ 0.0296061300000000, 0.0309760100000000, -0.0343980700000000 ] - [ 0.0294738100000000, 0.0310581100000000, -0.0343663400000000 ] - [ -0.0290699700000000, 0.0305022800000000, 0.0349518500000000 ] - [ -0.0294432800000000, 0.0310071900000000, 0.0345330300000000 ] - [ -0.0006021400000000, 0.0100840000000000, 0.0120594900000000 ] - [ -0.0003407400000000, 0.0102449700000000, 0.0124886200000000 ] - [ 0.0006136300000000, 0.0101223000000000, -0.0120452400000000 ] - [ 0.0006335900000000, 0.0101672300000000, -0.0120166300000000 ] - [ 0.0006335900000000, -0.0101672300000000, -0.0120166300000000 ] - [ 0.0006136300000000, -0.0101223000000000, -0.0120452400000000 ] - [ -0.0003407400000000, -0.0102449700000000, 0.0124886200000000 ] - [ -0.0006021400000000, -0.0100840000000000, 0.0120594900000000 ] - [ 0.0412238500000000, 0.0527148600000000, -0.0067535900000000 ] - [ 0.0414813700000000, 0.0533984500000000, -0.0069430800000000 ] - [ -0.0413376100000000, 0.0525619100000000, 0.0067330100000000 ] - [ -0.0395252900000000, 0.0547555000000000, 0.0047965200000000 ] - [ -0.0395252900000000, -0.0547555000000000, 0.0047965200000000 ] - [ -0.0413376100000000, -0.0525619100000000, 0.0067330100000000 ] - [ 0.0414813700000000, -0.0533984500000000, -0.0069430800000000 ] - [ 0.0412238500000000, -0.0527148600000000, -0.0067535900000000 ] - [ -0.0292225400000000, -0.0108359800000000, 0.0070780700000000 ] - [ -0.0293171500000000, -0.0108084300000000, 0.0068649600000000 ] - [ 0.0293741400000000, -0.0106980200000000, -0.0071590700000000 ] - [ 0.0292541200000000, -0.0103715400000000, -0.0070401000000000 ] - [ 0.0292541200000000, 0.0103715400000000, -0.0070401000000000 ] - [ 0.0293741400000000, 0.0106980200000000, -0.0071590700000000 ] - [ -0.0293171500000000, 0.0108084300000000, 0.0068649600000000 ] - [ -0.0292225400000000, 0.0108359800000000, 0.0070780700000000 ] - [ 0.0116467900000000, 0.0000000000000000, -0.0104932900000000 ] - [ 0.0117125500000000, 0.0000000000000000, -0.0106776800000000 ] - [ -0.0124851600000000, 0.0000000000000000, -0.0276401100000000 ] - [ -0.0116983100000000, 0.0000000000000000, 0.0107686600000000 ] - [ 0.0043996700000000, -0.0001659500000000, -0.0172855900000000 ] - [ 0.0043996700000000, 0.0001659500000000, -0.0172855900000000 ] - [ -0.0043952800000000, 0.0000223400000000, 0.0170271700000000 ] - [ -0.0043952800000000, -0.0000223400000000, 0.0170271700000000 ] - [ 0.0176254300000000, 0.0000000000000000, -0.0036276200000000 ] - [ 0.0179235300000000, 0.0000000000000000, -0.0035728400000000 ] - [ -0.0179947600000000, 0.0000000000000000, 0.0033104300000000 ] - [ -0.0179458400000000, 0.0000000000000000, 0.0036080200000000 ] - [ 0.0139254600000000, 0.0000000000000000, 0.0151073500000000 ] - [ 0.0138943500000000, 0.0000000000000000, 0.0151225600000000 ] - [ -0.0179919800000000, 0.0000000000000000, -0.0210186500000000 ] - [ -0.0139676800000000, 0.0000000000000000, -0.0151936600000000 ] - [ -0.0153841300000000, 0.0342073700000000, -0.0031332000000000 ] - [ -0.0154254100000000, 0.0342388300000000, -0.0030945200000000 ] - [ 0.0153193300000000, 0.0342749500000000, 0.0031266800000000 ] - [ 0.0153861100000000, 0.0343064400000000, 0.0029663700000000 ] - [ 0.0153861100000000, -0.0343064400000000, 0.0029663700000000 ] - [ 0.0153193300000000, -0.0342749500000000, 0.0031266800000000 ] - [ -0.0154254100000000, -0.0342388300000000, -0.0030945200000000 ] - [ -0.0153841300000000, -0.0342073700000000, -0.0031332000000000 ] - [ -0.0284116200000000, -0.0303319200000000, 0.0351366500000000 ] - [ -0.0294738700000000, -0.0310486300000000, 0.0345255500000000 ] - [ 0.0290874400000000, -0.0307869100000000, -0.0342943600000000 ] - [ 0.0294536000000000, -0.0310676100000000, -0.0344061600000000 ] - [ 0.0294536000000000, 0.0310676100000000, -0.0344061600000000 ] - [ 0.0290874400000000, 0.0307869100000000, -0.0342943600000000 ] - [ -0.0294738700000000, 0.0310486300000000, 0.0345255500000000 ] - [ -0.0284116200000000, 0.0303319200000000, 0.0351366500000000 ] - [ -0.0006527000000000, 0.0102284500000000, 0.0120199600000000 ] - [ -0.0006589200000000, 0.0101197400000000, 0.0120524600000000 ] - [ 0.0007500100000000, 0.0100261700000000, -0.0122016200000000 ] - [ 0.0006598600000000, 0.0100107300000000, -0.0120345200000000 ] - [ 0.0006598600000000, -0.0100107300000000, -0.0120345200000000 ] - [ 0.0007500100000000, -0.0100261700000000, -0.0122016200000000 ] - [ -0.0006589200000000, -0.0101197400000000, 0.0120524600000000 ] - [ -0.0006527000000000, -0.0102284500000000, 0.0120199600000000 ] - [ -0.0409817600000000, 0.0000000000000000, 0.0854582400000000 ] - [ -0.0116357000000000, 0.0000000000000000, 0.0166859800000000 ] - [ 0.0115408900000000, 0.0000000000000000, -0.0166947200000000 ] - [ 0.0115445100000000, 0.0000000000000000, -0.0167037600000000 ] - [ -0.0377452800000000, 0.0000013800000000, 0.0130533600000000 ] - [ -0.0377452800000000, -0.0000013800000000, 0.0130533600000000 ] - [ 0.0377526000000000, 0.0000176500000000, -0.0132575800000000 ] - [ 0.0377526000000000, -0.0000176500000000, -0.0132575800000000 ] - [ -0.0199771900000000, 0.0000000000000000, 0.0119184700000000 ] - [ -0.0199389600000000, 0.0000000000000000, 0.0120038200000000 ] - [ 0.0199652200000000, 0.0000000000000000, -0.0120176900000000 ] - [ 0.0199251600000000, 0.0000000000000000, -0.0119982100000000 ] - [ -0.0166811100000000, 0.0000000000000000, 0.0197811200000000 ] - [ -0.0162163400000000, 0.0000000000000000, 0.0201909700000000 ] - [ 0.0161720100000000, 0.0000000000000000, -0.0201555300000000 ] - [ 0.0161521000000000, 0.0000000000000000, -0.0201754100000000 ] - [ -0.0114627700000000, -0.0000710500000000, 0.0167672500000000 ] - [ -0.0114627700000000, 0.0000710500000000, 0.0167672500000000 ] - [ 0.0114964900000000, -0.0002519000000000, -0.0167563200000000 ] - [ 0.0114964900000000, 0.0002519000000000, -0.0167563200000000 ] - [ -0.0377712900000000, 0.0000000000000000, 0.0131036500000000 ] - [ -0.0377218700000000, 0.0000000000000000, 0.0130384100000000 ] - [ 0.0381723600000000, 0.0000000000000000, -0.0124904700000000 ] - [ 0.0377515000000000, 0.0000000000000000, -0.0130690900000000 ] - [ -0.0199271200000000, 0.0000009800000000, 0.0120035500000000 ] - [ -0.0199271200000000, -0.0000009800000000, 0.0120035500000000 ] - [ 0.0198079700000000, -0.0000835700000000, -0.0120087800000000 ] - [ 0.0198079700000000, 0.0000835700000000, -0.0120087800000000 ] - [ -0.0162085900000000, -0.0000686500000000, 0.0202217500000000 ] - [ -0.0162085900000000, 0.0000686500000000, 0.0202217500000000 ] - [ 0.0162056600000000, -0.0000799300000000, -0.0201400700000000 ] - [ 0.0162056600000000, 0.0000799300000000, -0.0201400700000000 ]- atom: 117 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0413152700000000, 0.0526085800000000, -0.0066401300000000 ] - [ 0.0412420500000000, 0.0525733600000000, -0.0066235700000000 ] - [ -0.0398576600000000, 0.0516684200000000, 0.0045123200000000 ] - [ -0.0411730100000000, 0.0523372600000000, 0.0063628200000000 ] - [ -0.0398576600000000, -0.0516684200000000, 0.0045123200000000 ] - [ -0.0411730100000000, -0.0523372600000000, 0.0063628200000000 ] - [ 0.0413152700000000, -0.0526085800000000, -0.0066401300000000 ] - [ 0.0412420500000000, -0.0525733600000000, -0.0066235700000000 ] - [ -0.0292540400000000, -0.0107779100000000, 0.0070647400000000 ] - [ -0.0292165700000000, -0.0108755400000000, 0.0071338800000000 ] - [ 0.0419596100000000, -0.0284822500000000, -0.0117996000000000 ] - [ 0.0292623600000000, -0.0117111900000000, -0.0074013300000000 ] - [ 0.0419596100000000, 0.0284822500000000, -0.0117996000000000 ] - [ 0.0292623600000000, 0.0117111900000000, -0.0074013300000000 ] - [ -0.0292540400000000, 0.0107779100000000, 0.0070647400000000 ] - [ -0.0292165700000000, 0.0108755400000000, 0.0071338800000000 ] - [ 0.0117504100000000, 0.0000000000000000, -0.0108210300000000 ] - [ 0.0117248400000000, 0.0000000000000000, -0.0107157200000000 ] - [ -0.0117441200000000, 0.0000000000000000, 0.0108946300000000 ] - [ -0.0116977300000000, 0.0000000000000000, 0.0109322000000000 ] - [ 0.0026019000000000, -0.0003058800000000, -0.0164175900000000 ] - [ 0.0026019000000000, 0.0003058800000000, -0.0164175900000000 ] - [ -0.0044308300000000, -0.0001024600000000, 0.0169689000000000 ] - [ -0.0044308300000000, 0.0001024600000000, 0.0169689000000000 ] - [ 0.0179615400000000, 0.0000000000000000, -0.0033768200000000 ] - [ 0.0179713600000000, 0.0000000000000000, -0.0035676000000000 ] - [ -0.0182344100000000, 0.0000000000000000, -0.0001892900000000 ] - [ -0.0179753800000000, 0.0000000000000000, 0.0037334200000000 ] - [ 0.0240491400000000, 0.0000000000000000, 0.0267533400000000 ] - [ 0.0139370800000000, 0.0000000000000000, 0.0151026800000000 ] - [ -0.0141452200000000, 0.0000000000000000, -0.0150518100000000 ] - [ -0.0139543900000000, 0.0000000000000000, -0.0151423500000000 ] - [ -0.0154070700000000, 0.0342195900000000, -0.0031856200000000 ] - [ -0.0152984300000000, 0.0342967000000000, -0.0030934800000000 ] - [ 0.0154758900000000, 0.0340767500000000, 0.0032277100000000 ] - [ 0.0153288200000000, 0.0343519800000000, 0.0034175300000000 ] - [ 0.0154758900000000, -0.0340767500000000, 0.0032277100000000 ] - [ 0.0153288200000000, -0.0343519800000000, 0.0034175300000000 ] - [ -0.0154070700000000, -0.0342195900000000, -0.0031856200000000 ] - [ -0.0152984300000000, -0.0342967000000000, -0.0030934800000000 ] - [ -0.0292912800000000, -0.0306468200000000, 0.0345246100000000 ] - [ -0.0294316900000000, -0.0309869300000000, 0.0344237000000000 ] - [ 0.0284032900000000, -0.0325778200000000, -0.0345838200000000 ] - [ 0.0294742100000000, -0.0310496000000000, -0.0345115500000000 ] - [ 0.0284032900000000, 0.0325778200000000, -0.0345838200000000 ] - [ 0.0294742100000000, 0.0310496000000000, -0.0345115500000000 ] - [ -0.0292912800000000, 0.0306468200000000, 0.0345246100000000 ] - [ -0.0294316900000000, 0.0309869300000000, 0.0344237000000000 ] - [ -0.0006249200000000, 0.0100659600000000, 0.0120579000000000 ] - [ -0.0006394900000000, 0.0100572900000000, 0.0120449700000000 ] - [ 0.0016952900000000, 0.0100823800000000, -0.0112029500000000 ] - [ 0.0007291800000000, 0.0112727500000000, -0.0123726700000000 ] - [ 0.0016952900000000, -0.0100823800000000, -0.0112029500000000 ] - [ 0.0007291800000000, -0.0112727500000000, -0.0123726700000000 ] - [ -0.0006249200000000, -0.0100659600000000, 0.0120579000000000 ] - [ -0.0006394900000000, -0.0100572900000000, 0.0120449700000000 ] - [ 0.0412690700000000, 0.0526060700000000, -0.0066476700000000 ] - [ 0.0412994800000000, 0.0526196300000000, -0.0067111800000000 ] - [ -0.0412829000000000, 0.0527005000000000, 0.0065098900000000 ] - [ -0.0412122700000000, 0.0525370000000000, 0.0066569600000000 ] - [ -0.0412829000000000, -0.0527005000000000, 0.0065098900000000 ] - [ -0.0412122700000000, -0.0525370000000000, 0.0066569600000000 ] - [ 0.0412690700000000, -0.0526060700000000, -0.0066476700000000 ] - [ 0.0412994800000000, -0.0526196300000000, -0.0067111800000000 ] - [ -0.0292277300000000, -0.0109881300000000, 0.0071154300000000 ] - [ -0.0292238600000000, -0.0108577800000000, 0.0071875000000000 ] - [ 0.0305877400000000, -0.0113766000000000, -0.0073371100000000 ] - [ 0.0293491500000000, -0.0107987800000000, -0.0071292300000000 ] - [ 0.0305877400000000, 0.0113766000000000, -0.0073371100000000 ] - [ 0.0293491500000000, 0.0107987800000000, -0.0071292300000000 ] - [ -0.0292277300000000, 0.0109881300000000, 0.0071154300000000 ] - [ -0.0292238600000000, 0.0108577800000000, 0.0071875000000000 ] - [ 0.0117307100000000, -0.0000889800000000, -0.0107807700000000 ] - [ 0.0117307100000000, 0.0000889800000000, -0.0107807700000000 ] - [ -0.0117051000000000, -0.0000111000000000, 0.0107753400000000 ] - [ -0.0117051000000000, 0.0000111000000000, 0.0107753400000000 ] - [ 0.0048270200000000, 0.0000000000000000, -0.0167158400000000 ] - [ 0.0044606000000000, 0.0000000000000000, -0.0170101900000000 ] - [ -0.0041307000000000, 0.0000000000000000, 0.0173397000000000 ] - [ -0.0043995900000000, 0.0000000000000000, 0.0170255900000000 ] - [ 0.0178670700000000, -0.0001700300000000, -0.0036002800000000 ] - [ 0.0178670700000000, 0.0001700300000000, -0.0036002800000000 ] - [ -0.0179103900000000, -0.0001097800000000, 0.0036236500000000 ] - [ -0.0179103900000000, 0.0001097800000000, 0.0036236500000000 ] - [ 0.0139442600000000, -0.0000698800000000, 0.0152200100000000 ] - [ 0.0139442600000000, 0.0000698800000000, 0.0152200100000000 ] - [ -0.0139044600000000, -0.0000430300000000, -0.0151222400000000 ] - [ -0.0139044600000000, 0.0000430300000000, -0.0151222400000000 ] - [ -0.0146838400000000, 0.0352345800000000, -0.0042754100000000 ] - [ -0.0154313000000000, 0.0342279300000000, -0.0030523100000000 ] - [ 0.0150828100000000, 0.0340838100000000, 0.0034523900000000 ] - [ 0.0153458700000000, 0.0341841700000000, 0.0030792300000000 ] - [ 0.0150828100000000, -0.0340838100000000, 0.0034523900000000 ] - [ 0.0153458700000000, -0.0341841700000000, 0.0030792300000000 ] - [ -0.0146838400000000, -0.0352345800000000, -0.0042754100000000 ] - [ -0.0154313000000000, -0.0342279300000000, -0.0030523100000000 ] - [ -0.0294859200000000, -0.0310116500000000, 0.0344369300000000 ] - [ -0.0294844400000000, -0.0310735200000000, 0.0343917000000000 ] - [ 0.0294621600000000, -0.0310119200000000, -0.0345878700000000 ] - [ 0.0295423800000000, -0.0310945700000000, -0.0344148800000000 ] - [ 0.0294621600000000, 0.0310119200000000, -0.0345878700000000 ] - [ 0.0295423800000000, 0.0310945700000000, -0.0344148800000000 ] - [ -0.0294859200000000, 0.0310116500000000, 0.0344369300000000 ] - [ -0.0294844400000000, 0.0310735200000000, 0.0343917000000000 ] - [ -0.0008667900000000, 0.0102310300000000, 0.0121532100000000 ] - [ -0.0005979500000000, 0.0101402300000000, 0.0120100400000000 ] - [ 0.0002362500000000, 0.0099454800000000, -0.0115668800000000 ] - [ 0.0005913400000000, 0.0101259500000000, -0.0120116700000000 ] - [ 0.0002362500000000, -0.0099454800000000, -0.0115668800000000 ] - [ 0.0005913400000000, -0.0101259500000000, -0.0120116700000000 ] - [ -0.0008667900000000, -0.0102310300000000, 0.0121532100000000 ] - [ -0.0005979500000000, -0.0101402300000000, 0.0120100400000000 ] - [ -0.0115352600000000, -0.0000025900000000, 0.0166853300000000 ] - [ -0.0115352600000000, 0.0000025900000000, 0.0166853300000000 ] - [ 0.0114246900000000, 0.0001438500000000, -0.0167259500000000 ] - [ 0.0114246900000000, -0.0001438500000000, -0.0167259500000000 ] - [ -0.0752767300000000, 0.0000000000000000, 0.0171983300000000 ] - [ -0.0382702600000000, 0.0000000000000000, 0.0131639400000000 ] - [ 0.0377220800000000, 0.0000000000000000, -0.0130262600000000 ] - [ 0.0377467400000000, 0.0000000000000000, -0.0130622100000000 ] - [ -0.0199286700000000, 0.0000623700000000, 0.0120101000000000 ] - [ -0.0199286700000000, -0.0000623700000000, 0.0120101000000000 ] - [ 0.0199067600000000, 0.0000659300000000, -0.0120566300000000 ] - [ 0.0199067600000000, -0.0000659300000000, -0.0120566300000000 ] - [ -0.0160848900000000, 0.0001013400000000, 0.0202040300000000 ] - [ -0.0160848900000000, -0.0001013400000000, 0.0202040300000000 ] - [ 0.0161626900000000, 0.0000464200000000, -0.0201621400000000 ] - [ 0.0161626900000000, -0.0000464200000000, -0.0201621400000000 ] - [ -0.0115948200000000, 0.0000000000000000, 0.0166973300000000 ] - [ -0.0115403500000000, 0.0000000000000000, 0.0166586800000000 ] - [ 0.0110205500000000, 0.0000000000000000, -0.0173106800000000 ] - [ 0.0115183600000000, 0.0000000000000000, -0.0167002200000000 ] - [ -0.0376919900000000, -0.0000810900000000, 0.0130938200000000 ] - [ -0.0376919900000000, 0.0000810900000000, 0.0130938200000000 ] - [ 0.0377185600000000, 0.0000049900000000, -0.0130485200000000 ] - [ 0.0377185600000000, -0.0000049900000000, -0.0130485200000000 ] - [ -0.0199428200000000, 0.0000000000000000, 0.0128439000000000 ] - [ -0.0198924500000000, 0.0000000000000000, 0.0118865200000000 ] - [ 0.0199651800000000, 0.0000000000000000, -0.0120107000000000 ] - [ 0.0198994600000000, 0.0000000000000000, -0.0120044300000000 ] - [ -0.0161684200000000, 0.0000000000000000, 0.0201395900000000 ] - [ -0.0162082900000000, 0.0000000000000000, 0.0201652900000000 ] - [ 0.0161396400000000, 0.0000000000000000, -0.0202027800000000 ] - [ 0.0162294400000000, 0.0000000000000000, -0.0201903800000000 ]- atom: 117 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0411841700000000, 0.0525180000000000, -0.0066521100000000 ] - [ 0.0412586300000000, 0.0525492400000000, -0.0066689900000000 ] - [ -0.0426358900000000, 0.0534497600000000, 0.0087606000000000 ] - [ -0.0413248100000000, 0.0527852000000000, 0.0069330300000000 ] - [ -0.0426358900000000, -0.0534497600000000, 0.0087606000000000 ] - [ -0.0413248100000000, -0.0527852000000000, 0.0069330300000000 ] - [ 0.0411841700000000, -0.0525180000000000, -0.0066521100000000 ] - [ 0.0412586300000000, -0.0525492400000000, -0.0066689900000000 ] - [ -0.0292451800000000, -0.0108631600000000, 0.0071899000000000 ] - [ -0.0292824100000000, -0.0107637200000000, 0.0071188700000000 ] - [ 0.0168836200000000, 0.0062523600000000, -0.0024867400000000 ] - [ 0.0292407800000000, -0.0099334600000000, -0.0068455300000000 ] - [ 0.0168836200000000, -0.0062523600000000, -0.0024867400000000 ] - [ 0.0292407800000000, 0.0099334600000000, -0.0068455300000000 ] - [ -0.0292451800000000, 0.0108631600000000, 0.0071899000000000 ] - [ -0.0292824100000000, 0.0107637200000000, 0.0071188700000000 ] - [ 0.0116722300000000, 0.0000000000000000, -0.0106733300000000 ] - [ 0.0117060600000000, 0.0000000000000000, -0.0107706500000000 ] - [ -0.0116853100000000, 0.0000000000000000, 0.0105921800000000 ] - [ -0.0117294900000000, 0.0000000000000000, 0.0105560900000000 ] - [ 0.0062034700000000, 0.0003114300000000, -0.0176637700000000 ] - [ 0.0062034700000000, -0.0003114300000000, -0.0176637700000000 ] - [ -0.0043958000000000, 0.0001032600000000, 0.0171258200000000 ] - [ -0.0043958000000000, -0.0001032600000000, 0.0171258200000000 ] - [ 0.0178858700000000, 0.0000000000000000, -0.0037253500000000 ] - [ 0.0178768700000000, 0.0000000000000000, -0.0035336100000000 ] - [ -0.0175803500000000, 0.0000000000000000, 0.0071721200000000 ] - [ -0.0178681900000000, 0.0000000000000000, 0.0033708500000000 ] - [ 0.0036075300000000, 0.0000000000000000, 0.0030559500000000 ] - [ 0.0139165200000000, 0.0000000000000000, 0.0152058400000000 ] - [ -0.0137006200000000, 0.0000000000000000, -0.0152551400000000 ] - [ -0.0138941000000000, 0.0000000000000000, -0.0151599000000000 ] - [ -0.0153925700000000, 0.0342641500000000, -0.0029382200000000 ] - [ -0.0155002500000000, 0.0341859300000000, -0.0030309600000000 ] - [ 0.0153276300000000, 0.0344138900000000, 0.0028914500000000 ] - [ 0.0154753200000000, 0.0341255300000000, 0.0027020200000000 ] - [ 0.0153276300000000, -0.0344138900000000, 0.0028914500000000 ] - [ 0.0154753200000000, -0.0341255300000000, 0.0027020200000000 ] - [ -0.0153925700000000, -0.0342641500000000, -0.0029382200000000 ] - [ -0.0155002500000000, -0.0341859300000000, -0.0030309600000000 ] - [ -0.0296540800000000, -0.0314689600000000, 0.0343538000000000 ] - [ -0.0295126100000000, -0.0311291800000000, 0.0344513000000000 ] - [ 0.0305437700000000, -0.0295437100000000, -0.0342809000000000 ] - [ 0.0294734700000000, -0.0310691800000000, -0.0343605600000000 ] - [ 0.0305437700000000, 0.0295437100000000, -0.0342809000000000 ] - [ 0.0294734700000000, 0.0310691800000000, -0.0343605600000000 ] - [ -0.0296540800000000, 0.0314689600000000, 0.0343538000000000 ] - [ -0.0295126100000000, 0.0311291800000000, 0.0344513000000000 ] - [ -0.0006336700000000, 0.0101379000000000, 0.0120622000000000 ] - [ -0.0006198800000000, 0.0101468400000000, 0.0120756000000000 ] - [ -0.0004363500000000, 0.0101762400000000, -0.0129289300000000 ] - [ 0.0005522700000000, 0.0089329900000000, -0.0117308500000000 ] - [ -0.0004363500000000, -0.0101762400000000, -0.0129289300000000 ] - [ 0.0005522700000000, -0.0089329900000000, -0.0117308500000000 ] - [ -0.0006336700000000, -0.0101379000000000, 0.0120622000000000 ] - [ -0.0006198800000000, -0.0101468400000000, 0.0120756000000000 ] - [ 0.0412328100000000, 0.0525211400000000, -0.0066456200000000 ] - [ 0.0412043400000000, 0.0525086100000000, -0.0065852800000000 ] - [ -0.0412097700000000, 0.0524224700000000, 0.0067824200000000 ] - [ -0.0412896400000000, 0.0525911400000000, 0.0066426400000000 ] - [ -0.0412097700000000, -0.0524224700000000, 0.0067824200000000 ] - [ -0.0412896400000000, -0.0525911400000000, 0.0066426400000000 ] - [ 0.0412328100000000, -0.0525211400000000, -0.0066456200000000 ] - [ 0.0412043400000000, -0.0525086100000000, -0.0065852800000000 ] - [ -0.0292687600000000, -0.0106456300000000, 0.0071398600000000 ] - [ -0.0292725600000000, -0.0107805800000000, 0.0070677000000000 ] - [ 0.0278924300000000, -0.0102411000000000, -0.0069211900000000 ] - [ 0.0291508400000000, -0.0108396600000000, -0.0071227000000000 ] - [ 0.0278924300000000, 0.0102411000000000, -0.0069211900000000 ] - [ 0.0291508400000000, 0.0108396600000000, -0.0071227000000000 ] - [ -0.0292687600000000, 0.0106456300000000, 0.0071398600000000 ] - [ -0.0292725600000000, 0.0107805800000000, 0.0070677000000000 ] - [ 0.0117025500000000, 0.0000893100000000, -0.0106989400000000 ] - [ 0.0117025500000000, -0.0000893100000000, -0.0106989400000000 ] - [ -0.0117255800000000, 0.0000125300000000, 0.0107069300000000 ] - [ -0.0117255800000000, -0.0000125300000000, 0.0107069300000000 ] - [ 0.0040029000000000, 0.0000000000000000, -0.0173694500000000 ] - [ 0.0043670400000000, 0.0000000000000000, -0.0170794900000000 ] - [ -0.0047009400000000, 0.0000000000000000, 0.0167466500000000 ] - [ -0.0044262300000000, 0.0000000000000000, 0.0170666600000000 ] - [ 0.0179835000000000, 0.0001724300000000, -0.0034964600000000 ] - [ 0.0179835000000000, -0.0001724300000000, -0.0034964600000000 ] - [ -0.0179332900000000, 0.0001112400000000, 0.0034841700000000 ] - [ -0.0179332900000000, -0.0001112400000000, 0.0034841700000000 ] - [ 0.0139038300000000, 0.0000732400000000, 0.0150889300000000 ] - [ 0.0139038300000000, -0.0000732400000000, 0.0150889300000000 ] - [ -0.0139410600000000, 0.0000431100000000, -0.0151806300000000 ] - [ -0.0139410600000000, -0.0000431100000000, -0.0151806300000000 ] - [ -0.0161008200000000, 0.0332366500000000, -0.0018467900000000 ] - [ -0.0153662000000000, 0.0342539900000000, -0.0030687100000000 ] - [ 0.0157238000000000, 0.0344047300000000, 0.0026699800000000 ] - [ 0.0154562600000000, 0.0342992200000000, 0.0030465000000000 ] - [ 0.0157238000000000, -0.0344047300000000, 0.0026699800000000 ] - [ 0.0154562600000000, -0.0342992200000000, 0.0030465000000000 ] - [ -0.0161008200000000, -0.0332366500000000, -0.0018467900000000 ] - [ -0.0153662000000000, -0.0342539900000000, -0.0030687100000000 ] - [ -0.0294580300000000, -0.0311030100000000, 0.0344361700000000 ] - [ -0.0294599500000000, -0.0310405700000000, 0.0344832400000000 ] - [ 0.0294804500000000, -0.0311035000000000, -0.0342847200000000 ] - [ 0.0294052900000000, -0.0310193800000000, -0.0344578600000000 ] - [ 0.0294804500000000, 0.0311035000000000, -0.0342847200000000 ] - [ 0.0294052900000000, 0.0310193800000000, -0.0344578600000000 ] - [ -0.0294580300000000, 0.0311030100000000, 0.0344361700000000 ] - [ -0.0294599500000000, 0.0310405700000000, 0.0344832400000000 ] - [ -0.0003928400000000, 0.0099752000000000, 0.0119681400000000 ] - [ -0.0006609300000000, 0.0100625900000000, 0.0121089600000000 ] - [ 0.0010542900000000, 0.0102730600000000, -0.0125351300000000 ] - [ 0.0006705600000000, 0.0100753100000000, -0.0121031500000000 ] - [ 0.0010542900000000, -0.0102730600000000, -0.0125351300000000 ] - [ 0.0006705600000000, -0.0100753100000000, -0.0121031500000000 ] - [ -0.0003928400000000, -0.0099752000000000, 0.0119681400000000 ] - [ -0.0006609300000000, -0.0100625900000000, 0.0121089600000000 ] - [ -0.0115394000000000, 0.0000026900000000, 0.0167039800000000 ] - [ -0.0115394000000000, -0.0000026900000000, 0.0167039800000000 ] - [ 0.0116525900000000, -0.0001470900000000, -0.0166637000000000 ] - [ 0.0116525900000000, 0.0001470900000000, -0.0166637000000000 ] - [ -0.0010244100000000, 0.0000000000000000, 0.0094207200000000 ] - [ -0.0372396100000000, 0.0000000000000000, 0.0129660400000000 ] - [ 0.0377857200000000, 0.0000000000000000, -0.0130977600000000 ] - [ 0.0377599400000000, 0.0000000000000000, -0.0130624800000000 ] - [ -0.0199011800000000, -0.0000648200000000, 0.0120132100000000 ] - [ -0.0199011800000000, 0.0000648200000000, 0.0120132100000000 ] - [ 0.0199251000000000, -0.0000630000000000, -0.0119647000000000 ] - [ 0.0199251000000000, 0.0000630000000000, -0.0119647000000000 ] - [ -0.0163374800000000, -0.0001008700000000, 0.0202004100000000 ] - [ -0.0163374800000000, 0.0001008700000000, 0.0202004100000000 ] - [ 0.0162598900000000, -0.0000459100000000, -0.0202328800000000 ] - [ 0.0162598900000000, 0.0000459100000000, -0.0202328800000000 ] - [ -0.0114790400000000, 0.0000000000000000, 0.0166981500000000 ] - [ -0.0115325000000000, 0.0000000000000000, 0.0167325400000000 ] - [ 0.0120605800000000, 0.0000000000000000, -0.0160915100000000 ] - [ 0.0115656400000000, 0.0000000000000000, -0.0166877300000000 ] - [ -0.0378113000000000, 0.0000805400000000, 0.0130348500000000 ] - [ -0.0378113000000000, -0.0000805400000000, 0.0130348500000000 ] - [ 0.0377890600000000, -0.0000036600000000, -0.0130787600000000 ] - [ 0.0377890600000000, 0.0000036600000000, -0.0130787600000000 ] - [ -0.0198754700000000, 0.0000000000000000, 0.0111685400000000 ] - [ -0.0199352100000000, 0.0000000000000000, 0.0121352800000000 ] - [ 0.0198658500000000, 0.0000000000000000, -0.0120062500000000 ] - [ 0.0199319100000000, 0.0000000000000000, -0.0120144700000000 ] - [ -0.0162557500000000, 0.0000000000000000, 0.0202694200000000 ] - [ -0.0162111300000000, 0.0000000000000000, 0.0202379900000000 ] - [ 0.0162843000000000, 0.0000000000000000, -0.0201955100000000 ] - [ 0.0161925100000000, 0.0000000000000000, -0.0202081800000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0411043800000000, 0.0525355300000000, -0.0066003100000000 ] - [ 0.0412697600000000, 0.0525521100000000, -0.0066418200000000 ] - [ -0.0425460200000000, 0.0532243600000000, 0.0080611600000000 ] - [ -0.0412053400000000, 0.0526076100000000, 0.0066326100000000 ] - [ -0.0399153300000000, -0.0518680700000000, 0.0052223700000000 ] - [ -0.0412913100000000, -0.0525193300000000, 0.0066730700000000 ] - [ 0.0413953900000000, -0.0525874100000000, -0.0066958400000000 ] - [ 0.0412313400000000, -0.0525717400000000, -0.0066514600000000 ] - [ -0.0291884000000000, -0.0108206300000000, 0.0071045700000000 ] - [ -0.0292400000000000, -0.0108446100000000, 0.0071295700000000 ] - [ 0.0160145200000000, 0.0214912000000000, -0.0004659900000000 ] - [ 0.0286663200000000, -0.0104253400000000, -0.0072052400000000 ] - [ 0.0435839600000000, 0.0446785600000000, -0.0139783900000000 ] - [ 0.0298431400000000, 0.0111818100000000, -0.0070447200000000 ] - [ -0.0293120300000000, 0.0108216200000000, 0.0071497300000000 ] - [ -0.0292600200000000, 0.0107966500000000, 0.0071244100000000 ] - [ 0.0117171400000000, 0.0000168100000000, -0.0107416400000000 ] - [ 0.0117168900000000, 0.0000071800000000, -0.0107401500000000 ] - [ -0.0117237800000000, 0.0003535600000000, 0.0107385900000000 ] - [ -0.0117163200000000, -0.0001236700000000, 0.0107386700000000 ] - [ 0.0034126700000000, 0.0021253300000000, -0.0168890100000000 ] - [ 0.0054630500000000, 0.0021699100000000, -0.0172146500000000 ] - [ -0.0044722600000000, 0.0000223300000000, 0.0170196800000000 ] - [ -0.0043593200000000, 0.0000202600000000, 0.0170716900000000 ] - [ 0.0179227000000000, -0.0002281800000000, -0.0035543600000000 ] - [ 0.0179232900000000, 0.0000017600000000, -0.0035527600000000 ] - [ -0.0179126400000000, 0.0035471800000000, 0.0034908300000000 ] - [ -0.0179223000000000, -0.0000948600000000, 0.0035504300000000 ] - [ 0.0138993900000000, 0.0045440200000000, 0.0151383100000000 ] - [ 0.0139244700000000, -0.0000140900000000, 0.0151521700000000 ] - [ -0.0139209600000000, 0.0000915800000000, -0.0151516800000000 ] - [ -0.0139223900000000, -0.0000024300000000, -0.0151503400000000 ] - [ -0.0153629700000000, 0.0341644300000000, -0.0030554900000000 ] - [ -0.0154706500000000, 0.0342800400000000, -0.0031377900000000 ] - [ 0.0154994700000000, 0.0342075700000000, 0.0031286500000000 ] - [ 0.0154515500000000, 0.0341722400000000, 0.0028141500000000 ] - [ 0.0153025800000000, -0.0342808200000000, 0.0029899900000000 ] - [ 0.0153433000000000, -0.0343129400000000, 0.0033118200000000 ] - [ -0.0154370200000000, -0.0343196600000000, -0.0030680200000000 ] - [ -0.0153271000000000, -0.0342038500000000, -0.0029872100000000 ] - [ -0.0293415700000000, -0.0303562900000000, 0.0346892400000000 ] - [ -0.0295568800000000, -0.0311297700000000, 0.0344338200000000 ] - [ 0.0287219100000000, -0.0316591800000000, -0.0360263600000000 ] - [ 0.0294960400000000, -0.0312004200000000, -0.0344452600000000 ] - [ 0.0302358300000000, 0.0304577900000000, -0.0328301000000000 ] - [ 0.0294532800000000, 0.0309197800000000, -0.0344296200000000 ] - [ -0.0296032900000000, 0.0317720800000000, 0.0341915600000000 ] - [ -0.0293901400000000, 0.0309928200000000, 0.0344445800000000 ] - [ -0.0006248300000000, 0.0100808400000000, 0.0120496400000000 ] - [ -0.0006377200000000, 0.0101571400000000, 0.0121086900000000 ] - [ 0.0022255400000000, 0.0092650500000000, -0.0107569900000000 ] - [ 0.0010252000000000, 0.0093702100000000, -0.0117208200000000 ] - [ -0.0009879400000000, -0.0109498600000000, -0.0133613800000000 ] - [ 0.0002214100000000, -0.0108268200000000, -0.0124046000000000 ] - [ -0.0006324800000000, -0.0101239900000000, 0.0120701400000000 ] - [ -0.0006190000000000, -0.0100493800000000, 0.0120092600000000 ] - [ 0.0411952200000000, 0.0525631400000000, -0.0065843300000000 ] - [ 0.0412906300000000, 0.0524931900000000, -0.0067350500000000 ] - [ -0.0411805400000000, 0.0526042700000000, 0.0066528800000000 ] - [ -0.0412481200000000, 0.0525419400000000, 0.0066350500000000 ] - [ -0.0413168500000000, -0.0525237600000000, 0.0066358600000000 ] - [ -0.0412502600000000, -0.0525809900000000, 0.0066608000000000 ] - [ 0.0413009500000000, -0.0525640600000000, -0.0067092300000000 ] - [ 0.0412071200000000, -0.0526329600000000, -0.0065620000000000 ] - [ -0.0293068000000000, -0.0108771500000000, 0.0070477200000000 ] - [ -0.0292478100000000, -0.0108449700000000, 0.0071137500000000 ] - [ 0.0289090500000000, -0.0105909900000000, -0.0072636800000000 ] - [ 0.0292464500000000, -0.0107918800000000, -0.0071115600000000 ] - [ 0.0296031800000000, 0.0110388900000000, -0.0070056700000000 ] - [ 0.0292552100000000, 0.0108510300000000, -0.0071398500000000 ] - [ -0.0291871700000000, 0.0107591500000000, 0.0072055400000000 ] - [ -0.0292502300000000, 0.0107968200000000, 0.0071395800000000 ] - [ 0.0118110500000000, 0.0000463500000000, -0.0107194800000000 ] - [ 0.0116291600000000, 0.0000497800000000, -0.0107546000000000 ] - [ -0.0118020900000000, -0.0000186500000000, 0.0107369800000000 ] - [ -0.0116310400000000, -0.0000177300000000, 0.0107435700000000 ] - [ 0.0044231600000000, -0.0000053100000000, -0.0170354900000000 ] - [ 0.0044138500000000, -0.0000089400000000, -0.0170441500000000 ] - [ -0.0044167800000000, -0.0000315700000000, 0.0170428000000000 ] - [ -0.0044148900000000, -0.0000267400000000, 0.0170434200000000 ] - [ 0.0180349800000000, 0.0000920800000000, -0.0034615800000000 ] - [ 0.0178141400000000, 0.0000909700000000, -0.0036426500000000 ] - [ -0.0178877700000000, -0.0000855700000000, 0.0035854300000000 ] - [ -0.0179586600000000, -0.0000855200000000, 0.0035260300000000 ] - [ 0.0138448400000000, 0.0001064200000000, 0.0151945400000000 ] - [ 0.0139998300000000, 0.0001038400000000, 0.0151085400000000 ] - [ -0.0139219800000000, 0.0000130900000000, -0.0151572900000000 ] - [ -0.0139232000000000, 0.0000127600000000, -0.0151422000000000 ] - [ -0.0164399300000000, 0.0335575900000000, -0.0043775200000000 ] - [ -0.0153628000000000, 0.0341654300000000, -0.0030846500000000 ] - [ 0.0150359000000000, 0.0342373000000000, 0.0033115900000000 ] - [ 0.0153861300000000, 0.0342488600000000, 0.0030020200000000 ] - [ 0.0157664900000000, -0.0342428900000000, 0.0028231900000000 ] - [ 0.0154145400000000, -0.0342354400000000, 0.0031256100000000 ] - [ -0.0143552000000000, -0.0349105900000000, -0.0017481200000000 ] - [ -0.0154319800000000, -0.0343147400000000, -0.0030366500000000 ] - [ -0.0294896200000000, -0.0310981900000000, 0.0344093900000000 ] - [ -0.0294620800000000, -0.0310785900000000, 0.0344128400000000 ] - [ 0.0295013000000000, -0.0310840300000000, -0.0344341400000000 ] - [ 0.0294551400000000, -0.0310834600000000, -0.0343704100000000 ] - [ 0.0294430700000000, 0.0310351700000000, -0.0344390300000000 ] - [ 0.0294946100000000, 0.0310332800000000, -0.0345023400000000 ] - [ -0.0294553700000000, 0.0310204300000000, 0.0344641400000000 ] - [ -0.0294854800000000, 0.0310412300000000, 0.0344635900000000 ] - [ -0.0003058200000000, 0.0104388900000000, 0.0117083100000000 ] - [ -0.0006187200000000, 0.0101149600000000, 0.0120581800000000 ] - [ -0.0002295800000000, 0.0095451200000000, -0.0121408800000000 ] - [ 0.0006486600000000, 0.0100866900000000, -0.0120628700000000 ] - [ 0.0014901800000000, -0.0106719900000000, -0.0119546700000000 ] - [ 0.0006126400000000, -0.0101176600000000, -0.0120545700000000 ] - [ -0.0009543800000000, -0.0097781800000000, 0.0124139100000000 ] - [ -0.0006394300000000, -0.0100900000000000, 0.0120617700000000 ] - [ -0.0115182200000000, 0.0000007800000000, 0.0166990800000000 ] - [ -0.0115586900000000, 0.0000000600000000, 0.0166889900000000 ] - [ 0.0115623600000000, -0.0001529300000000, -0.0166738400000000 ] - [ 0.0115189900000000, -0.0001566100000000, -0.0167193500000000 ] - [ -0.0389912900000000, -0.0757113800000000, 0.0132686800000000 ] - [ -0.0377511100000000, 0.0002100600000000, 0.0130567600000000 ] - [ 0.0377543900000000, 0.0000006500000000, -0.0130623200000000 ] - [ 0.0377557200000000, 0.0000145100000000, -0.0130612400000000 ] - [ -0.0199079100000000, 0.0000320500000000, 0.0119927700000000 ] - [ -0.0199221200000000, 0.0000328000000000, 0.0120309300000000 ] - [ 0.0200271200000000, 0.0002675600000000, -0.0121322300000000 ] - [ 0.0198038500000000, 0.0002778500000000, -0.0118876100000000 ] - [ -0.0163701600000000, 0.0001425400000000, 0.0202497300000000 ] - [ -0.0160571700000000, 0.0001491700000000, 0.0201605400000000 ] - [ 0.0163153300000000, -0.0000091900000000, -0.0201386200000000 ] - [ 0.0161105700000000, -0.0000069500000000, -0.0202690200000000 ] - [ -0.0115367100000000, -0.0000799600000000, 0.0166921900000000 ] - [ -0.0115378500000000, 0.0000463000000000, 0.0166944300000000 ] - [ 0.0115381700000000, 0.0000516900000000, -0.0166948400000000 ] - [ 0.0115373900000000, -0.0000015500000000, -0.0166915300000000 ] - [ -0.0376731400000000, -0.0000113600000000, 0.0130636300000000 ] - [ -0.0378351500000000, -0.0000092400000000, 0.0130608600000000 ] - [ 0.0377600100000000, -0.0000053200000000, -0.0130803300000000 ] - [ 0.0377514500000000, -0.0000067400000000, -0.0130460700000000 ] - [ -0.0199104000000000, -0.0004919000000000, 0.0120143300000000 ] - [ -0.0199140500000000, 0.0000179500000000, 0.0120137000000000 ] - [ 0.0199150800000000, -0.0000387500000000, -0.0120104300000000 ] - [ 0.0199159700000000, -0.0000311700000000, -0.0120114000000000 ] - [ -0.0162130600000000, -0.0000223200000000, 0.0202049400000000 ] - [ -0.0162124800000000, 0.0000045600000000, 0.0202033300000000 ] - [ 0.0162128600000000, 0.0000582100000000, -0.0202030300000000 ] - [ 0.0162128000000000, 0.0000165000000000, -0.0202027700000000 ]- atom: 117 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0410072600000000, 0.0526938300000000, -0.0065412000000000 ] - [ 0.0412390500000000, 0.0525530000000000, -0.0066368100000000 ] - [ -0.0425884800000000, 0.0541335400000000, 0.0083202000000000 ] - [ -0.0413384700000000, 0.0528581300000000, 0.0067779900000000 ] - [ -0.0425884800000000, -0.0541335400000000, 0.0083202000000000 ] - [ -0.0413384700000000, -0.0528581300000000, 0.0067779900000000 ] - [ 0.0410072600000000, -0.0526938300000000, -0.0065412000000000 ] - [ 0.0412390500000000, -0.0525530000000000, -0.0066368100000000 ] - [ -0.0292033700000000, -0.0108107100000000, 0.0071523000000000 ] - [ -0.0292668200000000, -0.0107745300000000, 0.0071111200000000 ] - [ 0.0230065400000000, -0.0023948600000000, -0.0037981400000000 ] - [ 0.0292503800000000, -0.0104560300000000, -0.0072479000000000 ] - [ 0.0230065400000000, 0.0023948600000000, -0.0037981400000000 ] - [ 0.0292503800000000, 0.0104560300000000, -0.0072479000000000 ] - [ -0.0292033700000000, 0.0108107100000000, 0.0071523000000000 ] - [ -0.0292668200000000, 0.0107745300000000, 0.0071111200000000 ] - [ 0.0113722000000000, 0.0000000000000000, -0.0110228300000000 ] - [ 0.0117146500000000, 0.0000000000000000, -0.0107659800000000 ] - [ -0.0117393100000000, 0.0000000000000000, 0.0109909000000000 ] - [ -0.0117145200000000, 0.0000000000000000, 0.0105869200000000 ] - [ 0.0050249000000000, 0.0002144300000000, -0.0172786900000000 ] - [ 0.0050249000000000, -0.0002144300000000, -0.0172786900000000 ] - [ -0.0044201500000000, 0.0000527100000000, 0.0170351900000000 ] - [ -0.0044201500000000, -0.0000527100000000, 0.0170351900000000 ] - [ 0.0179704300000000, 0.0000000000000000, -0.0035699300000000 ] - [ 0.0179199100000000, 0.0000000000000000, -0.0035024800000000 ] - [ -0.0207444000000000, 0.0000000000000000, 0.0526831400000000 ] - [ -0.0178829400000000, 0.0000000000000000, 0.0034256100000000 ] - [ 0.0193734900000000, 0.0000000000000000, 0.0302299800000000 ] - [ 0.0139031500000000, 0.0000000000000000, 0.0151899200000000 ] - [ -0.0137879600000000, 0.0000000000000000, -0.0156567600000000 ] - [ -0.0139139900000000, 0.0000000000000000, -0.0152054800000000 ] - [ -0.0153642700000000, 0.0341707300000000, -0.0030818200000000 ] - [ -0.0154378400000000, 0.0341915300000000, -0.0029998200000000 ] - [ 0.0154101000000000, 0.0344213300000000, 0.0031772900000000 ] - [ 0.0153736000000000, 0.0342104300000000, 0.0030234200000000 ] - [ 0.0154101000000000, -0.0344213300000000, 0.0031772900000000 ] - [ 0.0153736000000000, -0.0342104300000000, 0.0030234200000000 ] - [ -0.0153642700000000, -0.0341707300000000, -0.0030818200000000 ] - [ -0.0154378400000000, -0.0341915300000000, -0.0029998200000000 ] - [ -0.0293512700000000, -0.0314175900000000, 0.0343731700000000 ] - [ -0.0295195500000000, -0.0311239200000000, 0.0344828200000000 ] - [ 0.0289259600000000, -0.0321231300000000, -0.0321249400000000 ] - [ 0.0295074000000000, -0.0310746800000000, -0.0344365300000000 ] - [ 0.0289259600000000, 0.0321231300000000, -0.0321249400000000 ] - [ 0.0295074000000000, 0.0310746800000000, -0.0344365300000000 ] - [ -0.0293512700000000, 0.0314175900000000, 0.0343731700000000 ] - [ -0.0295195500000000, 0.0311239200000000, 0.0344828200000000 ] - [ -0.0006720700000000, 0.0101315100000000, 0.0121208000000000 ] - [ -0.0006339600000000, 0.0100895400000000, 0.0120656000000000 ] - [ -0.0001656000000000, 0.0102053400000000, -0.0126157000000000 ] - [ 0.0005768500000000, 0.0097083900000000, -0.0120460900000000 ] - [ -0.0001656000000000, -0.0102053400000000, -0.0126157000000000 ] - [ 0.0005768500000000, -0.0097083900000000, -0.0120460900000000 ] - [ -0.0006720700000000, -0.0101315100000000, 0.0121208000000000 ] - [ -0.0006339600000000, -0.0100895400000000, 0.0120656000000000 ] - [ 0.0413252800000000, 0.0525072300000000, -0.0066619800000000 ] - [ 0.0413381700000000, 0.0524231600000000, -0.0066541000000000 ] - [ -0.0411606000000000, 0.0522551200000000, 0.0066332300000000 ] - [ -0.0412248200000000, 0.0525687700000000, 0.0066095600000000 ] - [ -0.0411606000000000, -0.0522551200000000, 0.0066332300000000 ] - [ -0.0412248200000000, -0.0525687700000000, 0.0066095600000000 ] - [ 0.0413252800000000, -0.0525072300000000, -0.0066619800000000 ] - [ 0.0413381700000000, -0.0524231600000000, -0.0066541000000000 ] - [ -0.0291797800000000, -0.0107391100000000, 0.0071971800000000 ] - [ -0.0292867800000000, -0.0108041500000000, 0.0071555300000000 ] - [ 0.0285132700000000, -0.0105982600000000, -0.0070562100000000 ] - [ 0.0291958100000000, -0.0107892100000000, -0.0071404300000000 ] - [ 0.0285132700000000, 0.0105982600000000, -0.0070562100000000 ] - [ 0.0291958100000000, 0.0107892100000000, -0.0071404300000000 ] - [ -0.0291797800000000, 0.0107391100000000, 0.0071971800000000 ] - [ -0.0292867800000000, 0.0108041500000000, 0.0071555300000000 ] - [ 0.0116270500000000, 0.0001403000000000, -0.0106428700000000 ] - [ 0.0116270500000000, -0.0001403000000000, -0.0106428700000000 ] - [ -0.0117565700000000, 0.0000100100000000, 0.0107425300000000 ] - [ -0.0117565700000000, -0.0000100100000000, 0.0107425300000000 ] - [ 0.0041267800000000, 0.0000000000000000, -0.0173011800000000 ] - [ 0.0043526100000000, 0.0000000000000000, -0.0170180400000000 ] - [ -0.0047100000000000, 0.0000000000000000, 0.0170120500000000 ] - [ -0.0043545200000000, 0.0000000000000000, 0.0170561900000000 ] - [ 0.0179868000000000, -0.0000112400000000, -0.0035429000000000 ] - [ 0.0179868000000000, 0.0000112400000000, -0.0035429000000000 ] - [ -0.0179468600000000, 0.0000554000000000, 0.0034378200000000 ] - [ -0.0179468600000000, -0.0000554000000000, 0.0034378200000000 ] - [ 0.0139524500000000, -0.0000412900000000, 0.0151483500000000 ] - [ 0.0139524500000000, 0.0000412900000000, 0.0151483500000000 ] - [ -0.0139134900000000, -0.0000106700000000, -0.0151379000000000 ] - [ -0.0139134900000000, 0.0000106700000000, -0.0151379000000000 ] - [ -0.0167239500000000, 0.0325274200000000, -0.0011633100000000 ] - [ -0.0154056300000000, 0.0342091500000000, -0.0030544500000000 ] - [ 0.0156717200000000, 0.0343473400000000, 0.0027005500000000 ] - [ 0.0154240000000000, 0.0342407300000000, 0.0030514900000000 ] - [ 0.0156717200000000, -0.0343473400000000, 0.0027005500000000 ] - [ 0.0154240000000000, -0.0342407300000000, 0.0030514900000000 ] - [ -0.0167239500000000, -0.0325274200000000, -0.0011633100000000 ] - [ -0.0154056300000000, -0.0342091500000000, -0.0030544500000000 ] - [ -0.0294453100000000, -0.0310328900000000, 0.0344212100000000 ] - [ -0.0294384300000000, -0.0310713600000000, 0.0344253000000000 ] - [ 0.0295478900000000, -0.0310867900000000, -0.0342897600000000 ] - [ 0.0294292300000000, -0.0310476100000000, -0.0344138700000000 ] - [ 0.0295478900000000, 0.0310867900000000, -0.0342897600000000 ] - [ 0.0294292300000000, 0.0310476100000000, -0.0344138700000000 ] - [ -0.0294453100000000, 0.0310328900000000, 0.0344212100000000 ] - [ -0.0294384300000000, 0.0310713600000000, 0.0344253000000000 ] - [ -0.0004507800000000, 0.0095865000000000, 0.0114969000000000 ] - [ -0.0006447200000000, 0.0100547000000000, 0.0120680000000000 ] - [ 0.0011918600000000, 0.0100606200000000, -0.0126226700000000 ] - [ 0.0006556900000000, 0.0100735100000000, -0.0120793100000000 ] - [ 0.0011918600000000, -0.0100606200000000, -0.0126226700000000 ] - [ 0.0006556900000000, -0.0100735100000000, -0.0120793100000000 ] - [ -0.0004507800000000, -0.0095865000000000, 0.0114969000000000 ] - [ -0.0006447200000000, -0.0100547000000000, 0.0120680000000000 ] - [ -0.0115427700000000, -0.0000092800000000, 0.0167075800000000 ] - [ -0.0115427700000000, 0.0000092800000000, 0.0167075800000000 ] - [ 0.0116587000000000, -0.0000697400000000, -0.0164650500000000 ] - [ 0.0116587000000000, 0.0000697400000000, -0.0164650500000000 ] - [ -0.0223270400000000, 0.0000000000000000, -0.0661912700000000 ] - [ -0.0375059500000000, 0.0000000000000000, 0.0130217800000000 ] - [ 0.0377981200000000, 0.0000000000000000, -0.0130894900000000 ] - [ 0.0377530200000000, 0.0000000000000000, -0.0130666300000000 ] - [ -0.0199415700000000, -0.0000826400000000, 0.0120176200000000 ] - [ -0.0199415700000000, 0.0000826400000000, 0.0120176200000000 ] - [ 0.0198717100000000, -0.0001869400000000, -0.0119581900000000 ] - [ 0.0198717100000000, 0.0001869400000000, -0.0119581900000000 ] - [ -0.0162902900000000, -0.0000366900000000, 0.0203003400000000 ] - [ -0.0162902900000000, 0.0000366900000000, 0.0203003400000000 ] - [ 0.0163076400000000, 0.0000203500000000, -0.0201320900000000 ] - [ 0.0163076400000000, -0.0000203500000000, -0.0201320900000000 ] - [ -0.0115139600000000, 0.0000000000000000, 0.0166629600000000 ] - [ -0.0115482200000000, 0.0000000000000000, 0.0167286400000000 ] - [ 0.0120977100000000, 0.0000000000000000, -0.0169586800000000 ] - [ 0.0115449100000000, 0.0000000000000000, -0.0166824400000000 ] - [ -0.0377422900000000, 0.0000219400000000, 0.0131088800000000 ] - [ -0.0377422900000000, -0.0000219400000000, 0.0131088800000000 ] - [ 0.0377764000000000, -0.0000158600000000, -0.0130584400000000 ] - [ 0.0377764000000000, 0.0000158600000000, -0.0130584400000000 ] - [ -0.0195931300000000, 0.0000000000000000, 0.0124307000000000 ] - [ -0.0199118900000000, 0.0000000000000000, 0.0120650100000000 ] - [ 0.0198895000000000, 0.0000000000000000, -0.0120374600000000 ] - [ 0.0199038600000000, 0.0000000000000000, -0.0120287400000000 ] - [ -0.0162555500000000, 0.0000000000000000, 0.0202540200000000 ] - [ -0.0162256400000000, 0.0000000000000000, 0.0202269600000000 ] - [ 0.0163206700000000, 0.0000000000000000, -0.0202183600000000 ] - [ 0.0162096000000000, 0.0000000000000000, -0.0202106400000000 ]- atom: 117 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0414957600000000, 0.0524280300000000, -0.0067509600000000 ] - [ 0.0412592400000000, 0.0525713600000000, -0.0066539300000000 ] - [ -0.0398854400000000, 0.0509822900000000, 0.0049386700000000 ] - [ -0.0411628000000000, 0.0522663300000000, 0.0065183900000000 ] - [ -0.0398854400000000, -0.0509822900000000, 0.0049386700000000 ] - [ -0.0411628000000000, -0.0522663300000000, 0.0065183900000000 ] - [ 0.0414957600000000, -0.0524280300000000, -0.0067509600000000 ] - [ 0.0412592400000000, -0.0525713600000000, -0.0066539300000000 ] - [ -0.0292992400000000, -0.0108291600000000, 0.0071026600000000 ] - [ -0.0292335600000000, -0.0108673900000000, 0.0071430100000000 ] - [ 0.0355451500000000, -0.0194119800000000, -0.0103857700000000 ] - [ 0.0292478300000000, -0.0111925100000000, -0.0070011700000000 ] - [ 0.0355451500000000, 0.0194119800000000, -0.0103857700000000 ] - [ 0.0292478300000000, 0.0111925100000000, -0.0070011700000000 ] - [ -0.0292992400000000, 0.0108291600000000, 0.0071026600000000 ] - [ -0.0292335600000000, 0.0108673900000000, 0.0071430100000000 ] - [ 0.0120575800000000, 0.0000000000000000, -0.0104624200000000 ] - [ 0.0117146100000000, 0.0000000000000000, -0.0107178900000000 ] - [ -0.0116763900000000, 0.0000000000000000, 0.0104840400000000 ] - [ -0.0117133400000000, 0.0000000000000000, 0.0109046900000000 ] - [ 0.0037817500000000, -0.0002103400000000, -0.0167989900000000 ] - [ 0.0037817500000000, 0.0002103400000000, -0.0167989900000000 ] - [ -0.0044105000000000, -0.0000538800000000, 0.0170584100000000 ] - [ -0.0044105000000000, 0.0000538800000000, 0.0170584100000000 ] - [ 0.0178767100000000, 0.0000000000000000, -0.0035314900000000 ] - [ 0.0179272200000000, 0.0000000000000000, -0.0035976500000000 ] - [ -0.0153483900000000, 0.0000000000000000, -0.0429101500000000 ] - [ -0.0179684200000000, 0.0000000000000000, 0.0036851700000000 ] - [ 0.0079912700000000, 0.0000000000000000, -0.0007054100000000 ] - [ 0.0139477600000000, 0.0000000000000000, 0.0151182700000000 ] - [ -0.0140641400000000, 0.0000000000000000, -0.0146372100000000 ] - [ -0.0139393500000000, 0.0000000000000000, -0.0150925400000000 ] - [ -0.0154359300000000, 0.0343125700000000, -0.0030406800000000 ] - [ -0.0153582700000000, 0.0342913000000000, -0.0031208200000000 ] - [ 0.0153925800000000, 0.0340547500000000, 0.0029594200000000 ] - [ 0.0154206700000000, 0.0342748400000000, 0.0031097000000000 ] - [ 0.0153925800000000, -0.0340547500000000, 0.0029594200000000 ] - [ 0.0154206700000000, -0.0342748400000000, 0.0031097000000000 ] - [ -0.0154359300000000, -0.0343125700000000, -0.0030406800000000 ] - [ -0.0153582700000000, -0.0342913000000000, -0.0031208200000000 ] - [ -0.0295926500000000, -0.0306753300000000, 0.0344967100000000 ] - [ -0.0294260200000000, -0.0309917900000000, 0.0343918400000000 ] - [ 0.0299869200000000, -0.0299917500000000, -0.0367967200000000 ] - [ 0.0294348300000000, -0.0310448700000000, -0.0344345100000000 ] - [ 0.0299869200000000, 0.0299917500000000, -0.0367967200000000 ] - [ 0.0294348300000000, 0.0310448700000000, -0.0344345100000000 ] - [ -0.0295926500000000, 0.0306753300000000, 0.0344967100000000 ] - [ -0.0294260200000000, 0.0309917900000000, 0.0343918400000000 ] - [ -0.0005876600000000, 0.0100699800000000, 0.0119988500000000 ] - [ -0.0006284500000000, 0.0101124100000000, 0.0120540700000000 ] - [ 0.0014389100000000, 0.0099884100000000, -0.0114840200000000 ] - [ 0.0006784500000000, 0.0105009600000000, -0.0120726700000000 ] - [ 0.0014389100000000, -0.0099884100000000, -0.0114840200000000 ] - [ 0.0006784500000000, -0.0105009600000000, -0.0120726700000000 ] - [ -0.0005876600000000, -0.0100699800000000, 0.0119988500000000 ] - [ -0.0006284500000000, -0.0101124100000000, 0.0120540700000000 ] - [ 0.0411789000000000, 0.0526171800000000, -0.0066323400000000 ] - [ 0.0411645900000000, 0.0527072900000000, -0.0066384300000000 ] - [ -0.0413452500000000, 0.0528770800000000, 0.0066683500000000 ] - [ -0.0412789700000000, 0.0525610200000000, 0.0066921700000000 ] - [ -0.0413452500000000, -0.0528770800000000, 0.0066683500000000 ] - [ -0.0412789700000000, -0.0525610200000000, 0.0066921700000000 ] - [ 0.0411789000000000, -0.0526171800000000, -0.0066323400000000 ] - [ 0.0411645900000000, -0.0527072900000000, -0.0066384300000000 ] - [ -0.0293288400000000, -0.0109009100000000, 0.0070546300000000 ] - [ -0.0292123100000000, -0.0108327700000000, 0.0070999800000000 ] - [ 0.0299907700000000, -0.0110358800000000, -0.0072015300000000 ] - [ 0.0293017500000000, -0.0108487100000000, -0.0071099600000000 ] - [ 0.0299907700000000, 0.0110358800000000, -0.0072015300000000 ] - [ 0.0293017500000000, 0.0108487100000000, -0.0071099600000000 ] - [ -0.0293288400000000, 0.0109009100000000, 0.0070546300000000 ] - [ -0.0292123100000000, 0.0108327700000000, 0.0070999800000000 ] - [ 0.0118009800000000, -0.0001425500000000, -0.0108340100000000 ] - [ 0.0118009800000000, 0.0001425500000000, -0.0108340100000000 ] - [ -0.0116766500000000, -0.0000109800000000, 0.0107432800000000 ] - [ -0.0116766500000000, 0.0000109800000000, 0.0107432800000000 ] - [ 0.0047064900000000, 0.0000000000000000, -0.0167805100000000 ] - [ 0.0044736400000000, 0.0000000000000000, -0.0170673800000000 ] - [ -0.0041177300000000, 0.0000000000000000, 0.0170899500000000 ] - [ -0.0044740000000000, 0.0000000000000000, 0.0170385100000000 ] - [ 0.0178563900000000, 0.0000089800000000, -0.0035590700000000 ] - [ 0.0178563900000000, -0.0000089800000000, -0.0035590700000000 ] - [ -0.0179056800000000, -0.0000566500000000, 0.0036695900000000 ] - [ -0.0179056800000000, 0.0000566500000000, 0.0036695900000000 ] - [ 0.0138958200000000, 0.0000418700000000, 0.0151609600000000 ] - [ 0.0138958200000000, -0.0000418700000000, 0.0151609600000000 ] - [ -0.0139338400000000, 0.0000083000000000, -0.0151598500000000 ] - [ -0.0139338400000000, -0.0000083000000000, -0.0151598500000000 ] - [ -0.0140631000000000, 0.0359959000000000, -0.0048843400000000 ] - [ -0.0153919300000000, 0.0342713500000000, -0.0030712100000000 ] - [ 0.0151390200000000, 0.0341342400000000, 0.0034281800000000 ] - [ 0.0153726500000000, 0.0342412100000000, 0.0030777500000000 ] - [ 0.0151390200000000, -0.0341342400000000, 0.0034281800000000 ] - [ 0.0153726500000000, -0.0342412100000000, 0.0030777500000000 ] - [ -0.0140631000000000, -0.0359959000000000, -0.0048843400000000 ] - [ -0.0153919300000000, -0.0342713500000000, -0.0030712100000000 ] - [ -0.0295038300000000, -0.0310816300000000, 0.0344575700000000 ] - [ -0.0295075600000000, -0.0310447300000000, 0.0344510900000000 ] - [ 0.0293969800000000, -0.0310286100000000, -0.0345849200000000 ] - [ 0.0295164300000000, -0.0310676400000000, -0.0344566300000000 ] - [ 0.0293969800000000, 0.0310286100000000, -0.0345849200000000 ] - [ 0.0295164300000000, 0.0310676400000000, -0.0344566300000000 ] - [ -0.0295038300000000, 0.0310816300000000, 0.0344575700000000 ] - [ -0.0295075600000000, 0.0310447300000000, 0.0344510900000000 ] - [ -0.0008304800000000, 0.0106144800000000, 0.0126541900000000 ] - [ -0.0006159100000000, 0.0101481800000000, 0.0120524300000000 ] - [ 0.0000814100000000, 0.0101594700000000, -0.0114704200000000 ] - [ 0.0006034400000000, 0.0101282900000000, -0.0120332500000000 ] - [ 0.0000814100000000, -0.0101594700000000, -0.0114704200000000 ] - [ 0.0006034400000000, -0.0101282900000000, -0.0120332500000000 ] - [ -0.0008304800000000, -0.0106144800000000, 0.0126541900000000 ] - [ -0.0006159100000000, -0.0101481800000000, 0.0120524300000000 ] - [ -0.0115350600000000, 0.0000091200000000, 0.0166836700000000 ] - [ -0.0115350600000000, -0.0000091200000000, 0.0166836700000000 ] - [ 0.0114205400000000, 0.0000722700000000, -0.0169230200000000 ] - [ 0.0114205400000000, -0.0000722700000000, -0.0169230200000000 ] - [ -0.0524303100000000, 0.0000000000000000, 0.0897152300000000 ] - [ -0.0380067900000000, 0.0000000000000000, 0.0131096100000000 ] - [ 0.0377093200000000, 0.0000000000000000, -0.0130348900000000 ] - [ 0.0377499400000000, 0.0000000000000000, -0.0130574100000000 ] - [ -0.0198920300000000, 0.0000804500000000, 0.0120076000000000 ] - [ -0.0198920300000000, -0.0000804500000000, 0.0120076000000000 ] - [ 0.0199573000000000, 0.0001825200000000, -0.0120585100000000 ] - [ 0.0199573000000000, -0.0001825200000000, -0.0120585100000000 ] - [ -0.0161325400000000, 0.0000382700000000, 0.0201039200000000 ] - [ -0.0161325400000000, -0.0000382700000000, 0.0201039200000000 ] - [ 0.0161110100000000, -0.0000182400000000, -0.0202620500000000 ] - [ 0.0161110100000000, 0.0000182400000000, -0.0202620500000000 ] - [ -0.0115631700000000, 0.0000000000000000, 0.0167358500000000 ] - [ -0.0115275000000000, 0.0000000000000000, 0.0166650700000000 ] - [ 0.0109747700000000, 0.0000000000000000, -0.0164348800000000 ] - [ 0.0115335800000000, 0.0000000000000000, -0.0167029000000000 ] - [ -0.0377647900000000, -0.0000233800000000, 0.0130229000000000 ] - [ -0.0377647900000000, 0.0000233800000000, 0.0130229000000000 ] - [ 0.0377270300000000, 0.0000194000000000, -0.0130679000000000 ] - [ 0.0377270300000000, -0.0000194000000000, -0.0130679000000000 ] - [ -0.0202346300000000, 0.0000000000000000, 0.0115972600000000 ] - [ -0.0199200900000000, 0.0000000000000000, 0.0119602500000000 ] - [ 0.0199416500000000, 0.0000000000000000, -0.0119794400000000 ] - [ 0.0199248800000000, 0.0000000000000000, -0.0119884100000000 ] - [ -0.0161720200000000, 0.0000000000000000, 0.0201573600000000 ] - [ -0.0161979600000000, 0.0000000000000000, 0.0201794200000000 ] - [ 0.0160984200000000, 0.0000000000000000, -0.0201784500000000 ] - [ 0.0162107600000000, 0.0000000000000000, -0.0201862800000000 ]- atom: 121 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0415766200000000, 0.0519130100000000, -0.0065812900000000 ] - [ 0.0413677700000000, 0.0524502000000000, -0.0066612000000000 ] - [ -0.0412234300000000, 0.0525296600000000, 0.0066809800000000 ] - [ -0.0412430600000000, 0.0525445400000000, 0.0066627100000000 ] - [ -0.0412430600000000, -0.0525445400000000, 0.0066627100000000 ] - [ -0.0412234300000000, -0.0525296600000000, 0.0066809800000000 ] - [ 0.0413677700000000, -0.0524502000000000, -0.0066612000000000 ] - [ 0.0415766200000000, -0.0519130100000000, -0.0065812900000000 ] - [ -0.0286704400000000, -0.0104234700000000, 0.0058371400000000 ] - [ -0.0292779100000000, -0.0108314600000000, 0.0071124700000000 ] - [ 0.0292120700000000, -0.0107690400000000, -0.0069572800000000 ] - [ 0.0292296600000000, -0.0107397000000000, -0.0071279700000000 ] - [ 0.0292296600000000, 0.0107397000000000, -0.0071279700000000 ] - [ 0.0292120700000000, 0.0107690400000000, -0.0069572800000000 ] - [ -0.0292779100000000, 0.0108314600000000, 0.0071124700000000 ] - [ -0.0286704400000000, 0.0104234700000000, 0.0058371400000000 ] - [ 0.0116628500000000, -0.0001471500000000, -0.0111223400000000 ] - [ 0.0116628500000000, 0.0001471500000000, -0.0111223400000000 ] - [ -0.0117435300000000, -0.0000069400000000, 0.0107322400000000 ] - [ -0.0117435300000000, 0.0000069400000000, 0.0107322400000000 ] - [ 0.0043093300000000, 0.0000000000000000, -0.0171098000000000 ] - [ 0.0044659000000000, 0.0000000000000000, -0.0170222600000000 ] - [ 0.0001788300000000, 0.0000000000000000, 0.0157267200000000 ] - [ -0.0043985700000000, 0.0000000000000000, 0.0171771000000000 ] - [ 0.0169522800000000, 0.0000074500000000, -0.0030100800000000 ] - [ 0.0169522800000000, -0.0000074500000000, -0.0030100800000000 ] - [ -0.0176341700000000, 0.0002589900000000, 0.0039091400000000 ] - [ -0.0176341700000000, -0.0002589900000000, 0.0039091400000000 ] - [ 0.0140578300000000, 0.0000003100000000, 0.0152373500000000 ] - [ 0.0140578300000000, -0.0000003100000000, 0.0152373500000000 ] - [ -0.0138891000000000, 0.0000357500000000, -0.0151229700000000 ] - [ -0.0138891000000000, -0.0000357500000000, -0.0151229700000000 ] - [ -0.0154528200000000, 0.0343663600000000, -0.0031101500000000 ] - [ -0.0132918100000000, 0.0360456900000000, -0.0039986300000000 ] - [ 0.0155000800000000, 0.0341157700000000, 0.0030582300000000 ] - [ 0.0150186800000000, 0.0340577900000000, 0.0029205100000000 ] - [ 0.0150186800000000, -0.0340577900000000, 0.0029205100000000 ] - [ 0.0155000800000000, -0.0341157700000000, 0.0030582300000000 ] - [ -0.0132918100000000, -0.0360456900000000, -0.0039986300000000 ] - [ -0.0154528200000000, -0.0343663600000000, -0.0031101500000000 ] - [ -0.0294341400000000, -0.0310668900000000, 0.0344888000000000 ] - [ -0.0292869200000000, -0.0308746000000000, 0.0346573000000000 ] - [ 0.0294742600000000, -0.0310851800000000, -0.0344084800000000 ] - [ 0.0294062200000000, -0.0312342600000000, -0.0344739000000000 ] - [ 0.0294062200000000, 0.0312342600000000, -0.0344739000000000 ] - [ 0.0294742600000000, 0.0310851800000000, -0.0344084800000000 ] - [ -0.0292869200000000, 0.0308746000000000, 0.0346573000000000 ] - [ -0.0294341400000000, 0.0310668900000000, 0.0344888000000000 ] - [ -0.0006504100000000, 0.0101368100000000, 0.0120525100000000 ] - [ -0.0010051700000000, 0.0102682900000000, 0.0122716800000000 ] - [ 0.0005936800000000, 0.0100789500000000, -0.0119990900000000 ] - [ 0.0010787600000000, 0.0103305100000000, -0.0118545700000000 ] - [ 0.0010787600000000, -0.0103305100000000, -0.0118545700000000 ] - [ 0.0005936800000000, -0.0100789500000000, -0.0119990900000000 ] - [ -0.0010051700000000, -0.0102682900000000, 0.0122716800000000 ] - [ -0.0006504100000000, -0.0101368100000000, 0.0120525100000000 ] - [ 0.0412202900000000, 0.0525696300000000, -0.0066876100000000 ] - [ 0.0412681900000000, 0.0525791500000000, -0.0066963000000000 ] - [ -0.0412729200000000, 0.0525666700000000, 0.0065604200000000 ] - [ -0.0413153500000000, 0.0525934400000000, 0.0066254000000000 ] - [ -0.0413153500000000, -0.0525934400000000, 0.0066254000000000 ] - [ -0.0412729200000000, -0.0525666700000000, 0.0065604200000000 ] - [ 0.0412681900000000, -0.0525791500000000, -0.0066963000000000 ] - [ 0.0412202900000000, -0.0525696300000000, -0.0066876100000000 ] - [ -0.0292779300000000, -0.0108314600000000, 0.0071263600000000 ] - [ -0.0293262800000000, -0.0108881900000000, 0.0071254400000000 ] - [ 0.0292199000000000, -0.0107935900000000, -0.0071934000000000 ] - [ 0.0291245400000000, -0.0106069900000000, -0.0070996300000000 ] - [ 0.0291245400000000, 0.0106069900000000, -0.0070996300000000 ] - [ 0.0292199000000000, 0.0107935900000000, -0.0071934000000000 ] - [ -0.0293262800000000, 0.0108881900000000, 0.0071254400000000 ] - [ -0.0292779300000000, 0.0108314600000000, 0.0071263600000000 ] - [ 0.0115777500000000, 0.0000000000000000, -0.0106705800000000 ] - [ 0.0117485300000000, 0.0000000000000000, -0.0106869800000000 ] - [ -0.0116375800000000, 0.0000000000000000, 0.0107587100000000 ] - [ -0.0116720100000000, 0.0000000000000000, 0.0106354200000000 ] - [ 0.0044247600000000, 0.0000269700000000, -0.0170335600000000 ] - [ 0.0044247600000000, -0.0000269700000000, -0.0170335600000000 ] - [ -0.0043979100000000, -0.0000013500000000, 0.0169982300000000 ] - [ -0.0043979100000000, 0.0000013500000000, 0.0169982300000000 ] - [ 0.0178962500000000, 0.0000000000000000, -0.0035474300000000 ] - [ 0.0179170100000000, 0.0000000000000000, -0.0035900800000000 ] - [ 0.0112079800000000, 0.0000000000000000, 0.0185457900000000 ] - [ -0.0179551900000000, 0.0000000000000000, 0.0036055600000000 ] - [ 0.0139511700000000, 0.0000000000000000, 0.0150892600000000 ] - [ 0.0139090600000000, 0.0000000000000000, 0.0151879100000000 ] - [ -0.0139340300000000, 0.0000000000000000, -0.0151662800000000 ] - [ -0.0139326500000000, 0.0000000000000000, -0.0151747700000000 ] - [ -0.0145775100000000, 0.0356409000000000, -0.0037182600000000 ] - [ -0.0151258900000000, 0.0344125300000000, -0.0031564500000000 ] - [ 0.0274803700000000, 0.0483080600000000, -0.0004324600000000 ] - [ 0.0154647600000000, 0.0347637300000000, 0.0032037700000000 ] - [ 0.0154647600000000, -0.0347637300000000, 0.0032037700000000 ] - [ 0.0274803700000000, -0.0483080600000000, -0.0004324600000000 ] - [ -0.0151258900000000, -0.0344125300000000, -0.0031564500000000 ] - [ -0.0145775100000000, -0.0356409000000000, -0.0037182600000000 ] - [ -0.0295132700000000, -0.0310709800000000, 0.0344564600000000 ] - [ -0.0294565500000000, -0.0310759400000000, 0.0344605900000000 ] - [ 0.0294173300000000, -0.0311714700000000, -0.0344132100000000 ] - [ 0.0294580200000000, -0.0310500700000000, -0.0344162500000000 ] - [ 0.0294580200000000, 0.0310500700000000, -0.0344162500000000 ] - [ 0.0294173300000000, 0.0311714700000000, -0.0344132100000000 ] - [ -0.0294565500000000, 0.0310759400000000, 0.0344605900000000 ] - [ -0.0295132700000000, 0.0310709800000000, 0.0344564600000000 ] - [ -0.0005292900000000, 0.0101098600000000, 0.0121112400000000 ] - [ -0.0005119200000000, 0.0101191700000000, 0.0120920400000000 ] - [ 0.0007469300000000, 0.0099512500000000, -0.0134371900000000 ] - [ 0.0007271400000000, 0.0108987600000000, -0.0120461300000000 ] - [ 0.0007271400000000, -0.0108987600000000, -0.0120461300000000 ] - [ 0.0007469300000000, -0.0099512500000000, -0.0134371900000000 ] - [ -0.0005119200000000, -0.0101191700000000, 0.0120920400000000 ] - [ -0.0005292900000000, -0.0101098600000000, 0.0121112400000000 ] - [ -0.0115811600000000, 0.0000000000000000, 0.0167436200000000 ] - [ -0.0115405000000000, 0.0000000000000000, 0.0167184200000000 ] - [ 0.0115928100000000, 0.0000000000000000, -0.0167325700000000 ] - [ 0.0115342400000000, 0.0000000000000000, -0.0167074800000000 ] - [ -0.0377638300000000, 0.0000074000000000, 0.0130348600000000 ] - [ -0.0377638300000000, -0.0000074000000000, 0.0130348600000000 ] - [ 0.0377450200000000, -0.0001132200000000, -0.0131122500000000 ] - [ 0.0377450200000000, 0.0001132200000000, -0.0131122500000000 ] - [ -0.0844597800000000, 0.0000000000000000, 0.0107595000000000 ] - [ -0.0202365300000000, 0.0000000000000000, 0.0121382700000000 ] - [ 0.0202881800000000, 0.0000000000000000, -0.0119987900000000 ] - [ 0.0197735100000000, 0.0000000000000000, -0.0119971300000000 ] - [ -0.0162093800000000, 0.0000000000000000, 0.0201862100000000 ] - [ -0.0162161700000000, 0.0000000000000000, 0.0201992200000000 ] - [ 0.0156986900000000, 0.0000000000000000, -0.0206742400000000 ] - [ 0.0162200600000000, 0.0000000000000000, -0.0201741300000000 ] - [ -0.0115363300000000, -0.0000006800000000, 0.0167069100000000 ] - [ -0.0115363300000000, 0.0000006800000000, 0.0167069100000000 ] - [ 0.0115577400000000, -0.0000534600000000, -0.0165801000000000 ] - [ 0.0115577400000000, 0.0000534600000000, -0.0165801000000000 ] - [ -0.0377834800000000, 0.0000000000000000, 0.0133912900000000 ] - [ -0.0377290300000000, 0.0000000000000000, 0.0130765900000000 ] - [ 0.0378024300000000, 0.0000000000000000, -0.0130759500000000 ] - [ 0.0377376300000000, 0.0000000000000000, -0.0130809000000000 ] - [ -0.0197831500000000, -0.0000044000000000, 0.0120155900000000 ] - [ -0.0197831500000000, 0.0000044000000000, 0.0120155900000000 ] - [ 0.0199370200000000, -0.0002789600000000, -0.0119581800000000 ] - [ 0.0199370200000000, 0.0002789600000000, -0.0119581800000000 ] - [ -0.0162054100000000, -0.0000014700000000, 0.0202098700000000 ] - [ -0.0162054100000000, 0.0000014700000000, 0.0202098700000000 ] - [ 0.0162120100000000, 0.0000110200000000, -0.0202044400000000 ] - [ 0.0162120100000000, -0.0000110200000000, -0.0202044400000000 ]- atom: 121 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0409301800000000, 0.0532031900000000, -0.0067090700000000 ] - [ 0.0411344300000000, 0.0526716000000000, -0.0066355900000000 ] - [ -0.0412775900000000, 0.0525971500000000, 0.0066161100000000 ] - [ -0.0412544500000000, 0.0525782400000000, 0.0066319700000000 ] - [ -0.0412544500000000, -0.0525782400000000, 0.0066319700000000 ] - [ -0.0412775900000000, -0.0525971500000000, 0.0066161100000000 ] - [ 0.0411344300000000, -0.0526716000000000, -0.0066355900000000 ] - [ 0.0409301800000000, -0.0532031900000000, -0.0067090700000000 ] - [ -0.0298370900000000, -0.0112119600000000, 0.0083919100000000 ] - [ -0.0292239600000000, -0.0108097400000000, 0.0071399300000000 ] - [ 0.0292900700000000, -0.0108707900000000, -0.0072929600000000 ] - [ 0.0292700700000000, -0.0109001900000000, -0.0071245700000000 ] - [ 0.0292700700000000, 0.0109001900000000, -0.0071245700000000 ] - [ 0.0292900700000000, 0.0108707900000000, -0.0072929600000000 ] - [ -0.0292239600000000, 0.0108097400000000, 0.0071399300000000 ] - [ -0.0298370900000000, 0.0112119600000000, 0.0083919100000000 ] - [ 0.0117694400000000, 0.0001471500000000, -0.0103688800000000 ] - [ 0.0117694400000000, -0.0001471500000000, -0.0103688800000000 ] - [ -0.0116894400000000, 0.0000063400000000, 0.0107502500000000 ] - [ -0.0116894400000000, -0.0000063400000000, 0.0107502500000000 ] - [ 0.0045210600000000, 0.0000000000000000, -0.0169793400000000 ] - [ 0.0043665100000000, 0.0000000000000000, -0.0170662000000000 ] - [ -0.0089611400000000, 0.0000000000000000, 0.0183719600000000 ] - [ -0.0044312500000000, 0.0000000000000000, 0.0169111700000000 ] - [ 0.0188769900000000, -0.0000071800000000, -0.0040932200000000 ] - [ 0.0188769900000000, 0.0000071800000000, -0.0040932200000000 ] - [ -0.0181979200000000, -0.0002503200000000, 0.0032030700000000 ] - [ -0.0181979200000000, 0.0002503200000000, 0.0032030700000000 ] - [ 0.0137930100000000, 0.0000012900000000, 0.0150618000000000 ] - [ 0.0137930100000000, -0.0000012900000000, 0.0150618000000000 ] - [ -0.0139582700000000, -0.0000363200000000, -0.0151778600000000 ] - [ -0.0139582700000000, 0.0000363200000000, -0.0151778600000000 ] - [ -0.0153427000000000, 0.0341186900000000, -0.0030182500000000 ] - [ -0.0175661100000000, 0.0324583500000000, -0.0021597400000000 ] - [ 0.0152990700000000, 0.0343574400000000, 0.0030657600000000 ] - [ 0.0157623200000000, 0.0343935900000000, 0.0032173500000000 ] - [ 0.0157623200000000, -0.0343935900000000, 0.0032173500000000 ] - [ 0.0152990700000000, -0.0343574400000000, 0.0030657600000000 ] - [ -0.0175661100000000, -0.0324583500000000, -0.0021597400000000 ] - [ -0.0153427000000000, -0.0341186900000000, -0.0030182500000000 ] - [ -0.0295125500000000, -0.0310509500000000, 0.0343859300000000 ] - [ -0.0296585700000000, -0.0312471500000000, 0.0342168800000000 ] - [ 0.0294739600000000, -0.0310341600000000, -0.0344673400000000 ] - [ 0.0295425600000000, -0.0308842800000000, -0.0344020200000000 ] - [ 0.0295425600000000, 0.0308842800000000, -0.0344020200000000 ] - [ 0.0294739600000000, 0.0310341600000000, -0.0344673400000000 ] - [ -0.0296585700000000, 0.0312471500000000, 0.0342168800000000 ] - [ -0.0295125500000000, 0.0310509500000000, 0.0343859300000000 ] - [ -0.0006075300000000, 0.0100672400000000, 0.0120635800000000 ] - [ -0.0002609800000000, 0.0099279600000000, 0.0118452700000000 ] - [ 0.0006641800000000, 0.0101230600000000, -0.0121172100000000 ] - [ 0.0001894200000000, 0.0098782000000000, -0.0122538600000000 ] - [ 0.0001894200000000, -0.0098782000000000, -0.0122538600000000 ] - [ 0.0006641800000000, -0.0101230600000000, -0.0121172100000000 ] - [ -0.0002609800000000, -0.0099279600000000, 0.0118452700000000 ] - [ -0.0006075300000000, -0.0100672400000000, 0.0120635800000000 ] - [ 0.0412804400000000, 0.0525576800000000, -0.0066091200000000 ] - [ 0.0412324900000000, 0.0525456500000000, -0.0066020300000000 ] - [ -0.0412265700000000, 0.0525609200000000, 0.0067327300000000 ] - [ -0.0411889500000000, 0.0525325100000000, 0.0066694600000000 ] - [ -0.0411889500000000, -0.0525325100000000, 0.0066694600000000 ] - [ -0.0412265700000000, -0.0525609200000000, 0.0067327300000000 ] - [ 0.0412324900000000, -0.0525456500000000, -0.0066020300000000 ] - [ 0.0412804400000000, -0.0525576800000000, -0.0066091200000000 ] - [ -0.0292208700000000, -0.0108116100000000, 0.0071244300000000 ] - [ -0.0291713600000000, -0.0107522700000000, 0.0071268500000000 ] - [ 0.0292840500000000, -0.0108487200000000, -0.0070594400000000 ] - [ 0.0293713200000000, -0.0110307500000000, -0.0071558700000000 ] - [ 0.0293713200000000, 0.0110307500000000, -0.0071558700000000 ] - [ 0.0292840500000000, 0.0108487200000000, -0.0070594400000000 ] - [ -0.0291713600000000, 0.0107522700000000, 0.0071268500000000 ] - [ -0.0292208700000000, 0.0108116100000000, 0.0071244300000000 ] - [ 0.0118588300000000, 0.0000000000000000, -0.0108147400000000 ] - [ 0.0116878000000000, 0.0000000000000000, -0.0107915700000000 ] - [ -0.0117970900000000, 0.0000000000000000, 0.0107193300000000 ] - [ -0.0117627000000000, 0.0000000000000000, 0.0108423000000000 ] - [ 0.0044059300000000, -0.0000291800000000, -0.0170550800000000 ] - [ 0.0044059300000000, 0.0000291800000000, -0.0170550800000000 ] - [ -0.0044317000000000, 0.0000019800000000, 0.0170863300000000 ] - [ -0.0044317000000000, -0.0000019800000000, 0.0170863300000000 ] - [ 0.0179548800000000, 0.0000000000000000, -0.0035673500000000 ] - [ 0.0179303800000000, 0.0000000000000000, -0.0035179400000000 ] - [ -0.0487048500000000, 0.0000000000000000, -0.0123976400000000 ] - [ -0.0178948300000000, 0.0000000000000000, 0.0035020400000000 ] - [ 0.0138972600000000, 0.0000000000000000, 0.0152111100000000 ] - [ 0.0139352400000000, 0.0000000000000000, 0.0151113600000000 ] - [ -0.0139107300000000, 0.0000000000000000, -0.0151356000000000 ] - [ -0.0139139500000000, 0.0000000000000000, -0.0151276200000000 ] - [ -0.0161921600000000, 0.0328708600000000, -0.0024155000000000 ] - [ -0.0156706300000000, 0.0340723800000000, -0.0029732000000000 ] - [ 0.0034790100000000, 0.0206483400000000, 0.0063624500000000 ] - [ 0.0153323000000000, 0.0337206500000000, 0.0029175700000000 ] - [ 0.0153323000000000, -0.0337206500000000, 0.0029175700000000 ] - [ 0.0034790100000000, -0.0206483400000000, 0.0063624500000000 ] - [ -0.0156706300000000, -0.0340723800000000, -0.0029732000000000 ] - [ -0.0161921600000000, -0.0328708600000000, -0.0024155000000000 ] - [ -0.0294334000000000, -0.0310476500000000, 0.0344165400000000 ] - [ -0.0294895900000000, -0.0310419400000000, 0.0344136600000000 ] - [ 0.0295295300000000, -0.0309471700000000, -0.0344609300000000 ] - [ 0.0294887100000000, -0.0310673700000000, -0.0344592600000000 ] - [ 0.0294887100000000, 0.0310673700000000, -0.0344592600000000 ] - [ 0.0295295300000000, 0.0309471700000000, -0.0344609300000000 ] - [ -0.0294895900000000, 0.0310419400000000, 0.0344136600000000 ] - [ -0.0294334000000000, 0.0310476500000000, 0.0344165400000000 ] - [ -0.0007232700000000, 0.0100984100000000, 0.0120065600000000 ] - [ -0.0007454400000000, 0.0100837600000000, 0.0120240900000000 ] - [ 0.0005141500000000, 0.0102485400000000, -0.0106678200000000 ] - [ 0.0005312600000000, 0.0093035900000000, -0.0120736200000000 ] - [ 0.0005312600000000, -0.0093035900000000, -0.0120736200000000 ] - [ 0.0005141500000000, -0.0102485400000000, -0.0106678200000000 ] - [ -0.0007454400000000, -0.0100837600000000, 0.0120240900000000 ] - [ -0.0007232700000000, -0.0100984100000000, 0.0120065600000000 ] - [ -0.0114947600000000, 0.0000000000000000, 0.0166419000000000 ] - [ -0.0115341800000000, 0.0000000000000000, 0.0166683900000000 ] - [ 0.0114853900000000, 0.0000000000000000, -0.0166558300000000 ] - [ 0.0115422400000000, 0.0000000000000000, -0.0166796700000000 ] - [ -0.0377435200000000, -0.0000064300000000, 0.0130905400000000 ] - [ -0.0377435200000000, 0.0000064300000000, 0.0130905400000000 ] - [ 0.0377629300000000, 0.0001094900000000, -0.0130152200000000 ] - [ 0.0377629300000000, -0.0001094900000000, -0.0130152200000000 ] - [ 0.0459333000000000, 0.0000000000000000, 0.0147631000000000 ] - [ -0.0195956300000000, 0.0000000000000000, 0.0118844900000000 ] - [ 0.0195524500000000, 0.0000000000000000, -0.0120258800000000 ] - [ 0.0200553400000000, 0.0000000000000000, -0.0120252800000000 ] - [ -0.0162137000000000, 0.0000000000000000, 0.0202179400000000 ] - [ -0.0162051600000000, 0.0000000000000000, 0.0202023100000000 ] - [ 0.0167210600000000, 0.0000000000000000, -0.0197199400000000 ] - [ 0.0162017700000000, 0.0000000000000000, -0.0202290200000000 ] - [ -0.0115381600000000, 0.0000007400000000, 0.0166808800000000 ] - [ -0.0115381600000000, -0.0000007400000000, 0.0166808800000000 ] - [ 0.0115186700000000, 0.0000510900000000, -0.0168078100000000 ] - [ 0.0115186700000000, -0.0000510900000000, -0.0168078100000000 ] - [ -0.0377261300000000, 0.0000000000000000, 0.0127312300000000 ] - [ -0.0377779200000000, 0.0000000000000000, 0.0130491600000000 ] - [ 0.0377039600000000, 0.0000000000000000, -0.0130520000000000 ] - [ 0.0377694500000000, 0.0000000000000000, -0.0130474900000000 ] - [ -0.0200494800000000, 0.0000055800000000, 0.0120028500000000 ] - [ -0.0200494800000000, -0.0000055800000000, 0.0120028500000000 ] - [ 0.0198938900000000, 0.0002755500000000, -0.0120617300000000 ] - [ 0.0198938900000000, -0.0002755500000000, -0.0120617300000000 ] - [ -0.0162143800000000, 0.0000022000000000, 0.0201937800000000 ] - [ -0.0162143800000000, -0.0000022000000000, 0.0201937800000000 ] - [ 0.0162098600000000, -0.0000101300000000, -0.0201986800000000 ] - [ 0.0162098600000000, 0.0000101300000000, -0.0201986800000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0409239500000000, 0.0529861600000000, -0.0066874800000000 ] - [ 0.0412902800000000, 0.0524933100000000, -0.0066807600000000 ] - [ -0.0412729300000000, 0.0525685700000000, 0.0066425300000000 ] - [ -0.0412294800000000, 0.0525549100000000, 0.0066635900000000 ] - [ -0.0412688900000000, -0.0525680400000000, 0.0066319800000000 ] - [ -0.0412259100000000, -0.0525599600000000, 0.0066530300000000 ] - [ 0.0412152200000000, -0.0526334800000000, -0.0066153600000000 ] - [ 0.0415805000000000, -0.0521296200000000, -0.0065991600000000 ] - [ -0.0287247800000000, -0.0111713700000000, 0.0078292700000000 ] - [ -0.0293044000000000, -0.0110312300000000, 0.0071057400000000 ] - [ 0.0292667100000000, -0.0108044300000000, -0.0071406700000000 ] - [ 0.0292829900000000, -0.0108192900000000, -0.0071292300000000 ] - [ 0.0292178700000000, 0.0108206600000000, -0.0071224700000000 ] - [ 0.0292323400000000, 0.0108342000000000, -0.0071122800000000 ] - [ -0.0291934900000000, 0.0106107500000000, 0.0071461100000000 ] - [ -0.0297776800000000, 0.0104431200000000, 0.0064016400000000 ] - [ 0.0117926300000000, -0.0001429100000000, -0.0105785600000000 ] - [ 0.0116355200000000, -0.0001448900000000, -0.0109136700000000 ] - [ -0.0117146500000000, -0.0000005800000000, 0.0107432200000000 ] - [ -0.0117141500000000, -0.0000002300000000, 0.0107404100000000 ] - [ 0.0044156800000000, -0.0000160900000000, -0.0170425600000000 ] - [ 0.0044138300000000, -0.0000175300000000, -0.0170451600000000 ] - [ -0.0044081200000000, 0.0047096300000000, 0.0170579200000000 ] - [ -0.0044148800000000, 0.0001155200000000, 0.0170442800000000 ] - [ 0.0189145300000000, 0.0018506200000000, -0.0039683300000000 ] - [ 0.0169765900000000, 0.0017968000000000, -0.0031562600000000 ] - [ -0.0182139500000000, 0.0000666700000000, 0.0033359300000000 ] - [ -0.0176224300000000, 0.0000761400000000, 0.0037739600000000 ] - [ 0.0137404500000000, -0.0000978500000000, 0.0151432300000000 ] - [ 0.0141089000000000, -0.0000983700000000, 0.0151605200000000 ] - [ -0.0139862600000000, 0.0000144400000000, -0.0151760400000000 ] - [ -0.0138627800000000, 0.0000162100000000, -0.0151289400000000 ] - [ -0.0153802100000000, 0.0342004600000000, -0.0031513700000000 ] - [ -0.0145139600000000, 0.0337165100000000, -0.0022029300000000 ] - [ 0.0153956600000000, 0.0341583600000000, 0.0030880000000000 ] - [ 0.0154976500000000, 0.0345459600000000, 0.0028604000000000 ] - [ 0.0153049200000000, -0.0339446800000000, 0.0032638900000000 ] - [ 0.0154063400000000, -0.0343250700000000, 0.0030374500000000 ] - [ -0.0162782000000000, -0.0347433200000000, -0.0039054700000000 ] - [ -0.0154192500000000, -0.0342839900000000, -0.0029743200000000 ] - [ -0.0294715200000000, -0.0311294000000000, 0.0344494300000000 ] - [ -0.0293638900000000, -0.0310219100000000, 0.0342831100000000 ] - [ 0.0294897200000000, -0.0310289400000000, -0.0343589600000000 ] - [ 0.0293922900000000, -0.0310231500000000, -0.0342210400000000 ] - [ 0.0295545300000000, 0.0310924700000000, -0.0346487800000000 ] - [ 0.0294570400000000, 0.0310864100000000, -0.0345155300000000 ] - [ -0.0295777800000000, 0.0310996300000000, 0.0345860700000000 ] - [ -0.0294738800000000, 0.0309851500000000, 0.0344254000000000 ] - [ -0.0006152600000000, 0.0100958600000000, 0.0120464900000000 ] - [ -0.0008064900000000, 0.0103412700000000, 0.0121601900000000 ] - [ 0.0006284100000000, 0.0101048100000000, -0.0120438100000000 ] - [ 0.0006477900000000, 0.0101206700000000, -0.0121820600000000 ] - [ 0.0006103000000000, -0.0100796200000000, -0.0119364200000000 ] - [ 0.0006337000000000, -0.0100969200000000, -0.0120720700000000 ] - [ -0.0004644200000000, -0.0098611000000000, 0.0119618300000000 ] - [ -0.0006434100000000, -0.0101072800000000, 0.0120679300000000 ] - [ 0.0412620100000000, 0.0525543600000000, -0.0066618900000000 ] - [ 0.0412376500000000, 0.0525651900000000, -0.0066535900000000 ] - [ -0.0412620800000000, 0.0525458700000000, 0.0066666800000000 ] - [ -0.0413152100000000, 0.0526313600000000, 0.0066139200000000 ] - [ -0.0411909400000000, -0.0524962000000000, 0.0066861200000000 ] - [ -0.0412408700000000, -0.0525818500000000, 0.0066285000000000 ] - [ 0.0412680000000000, -0.0525608100000000, -0.0066445600000000 ] - [ 0.0412423800000000, -0.0525736600000000, -0.0066353800000000 ] - [ -0.0292555100000000, -0.0108248300000000, 0.0071127500000000 ] - [ -0.0291534800000000, -0.0107795600000000, 0.0072053600000000 ] - [ 0.0291092200000000, -0.0108877200000000, -0.0071601400000000 ] - [ 0.0291329400000000, -0.0108604200000000, -0.0071412500000000 ] - [ 0.0293753500000000, 0.0107852900000000, -0.0071104400000000 ] - [ 0.0293933200000000, 0.0107552800000000, -0.0070904400000000 ] - [ -0.0293477600000000, 0.0108594300000000, 0.0070482900000000 ] - [ -0.0292438200000000, 0.0108126100000000, 0.0071397100000000 ] - [ 0.0117166700000000, 0.0000139900000000, -0.0107424300000000 ] - [ 0.0117158700000000, 0.0000071300000000, -0.0107400700000000 ] - [ -0.0117162400000000, -0.0000777800000000, 0.0107397400000000 ] - [ -0.0117135600000000, 0.0000076900000000, 0.0107435800000000 ] - [ 0.0044903500000000, 0.0001243600000000, -0.0169766200000000 ] - [ 0.0043376100000000, 0.0001275900000000, -0.0171173600000000 ] - [ -0.0044119400000000, 0.0000037800000000, 0.0170077200000000 ] - [ -0.0044146300000000, 0.0000044400000000, 0.0170847000000000 ] - [ 0.0179238800000000, -0.0001148300000000, -0.0035509400000000 ] - [ 0.0179232600000000, 0.0000505400000000, -0.0035518300000000 ] - [ -0.0178971900000000, 0.0044379700000000, 0.0035551400000000 ] - [ -0.0179208400000000, 0.0001287100000000, 0.0035529300000000 ] - [ 0.0139242700000000, -0.0000794100000000, 0.0151535500000000 ] - [ 0.0139233500000000, -0.0000334000000000, 0.0151518200000000 ] - [ -0.0139233600000000, -0.0000516300000000, -0.0151522400000000 ] - [ -0.0139249600000000, 0.0000271500000000, -0.0151535900000000 ] - [ -0.0145501900000000, 0.0340643200000000, -0.0028255000000000 ] - [ -0.0154072700000000, 0.0342826400000000, -0.0030457800000000 ] - [ 0.0289171600000000, 0.0655498900000000, -0.0029252600000000 ] - [ 0.0157881600000000, 0.0344967700000000, 0.0025626700000000 ] - [ 0.0150053400000000, -0.0339533400000000, 0.0035538000000000 ] - [ 0.0027648000000000, -0.0043922600000000, 0.0084127200000000 ] - [ -0.0153960100000000, -0.0341976700000000, -0.0030811200000000 ] - [ -0.0162382300000000, -0.0344446500000000, -0.0033116000000000 ] - [ -0.0294899700000000, -0.0310513000000000, 0.0344877300000000 ] - [ -0.0294453600000000, -0.0310852400000000, 0.0344383200000000 ] - [ 0.0294477100000000, -0.0310992500000000, -0.0344414100000000 ] - [ 0.0294638700000000, -0.0310472300000000, -0.0344241900000000 ] - [ 0.0294828400000000, 0.0310689000000000, -0.0344509800000000 ] - [ 0.0295021100000000, 0.0310147500000000, -0.0344347500000000 ] - [ -0.0294996500000000, 0.0310291200000000, 0.0344363800000000 ] - [ -0.0294565300000000, 0.0310636700000000, 0.0343877100000000 ] - [ -0.0008220700000000, 0.0100829200000000, 0.0120704400000000 ] - [ -0.0006441500000000, 0.0099705400000000, 0.0120975200000000 ] - [ 0.0004341000000000, 0.0102267400000000, -0.0144300000000000 ] - [ 0.0005259500000000, 0.0094059000000000, -0.0123553300000000 ] - [ 0.0007331300000000, -0.0107913300000000, -0.0117506900000000 ] - [ 0.0008291100000000, -0.0099998300000000, -0.0096681000000000 ] - [ -0.0006158300000000, -0.0102346500000000, 0.0120171000000000 ] - [ -0.0004348600000000, -0.0101190100000000, 0.0120400100000000 ] - [ -0.0115382100000000, -0.0000479600000000, 0.0166943100000000 ] - [ -0.0115437100000000, 0.0000188400000000, 0.0166965200000000 ] - [ 0.0115378600000000, 0.0000100800000000, -0.0166950700000000 ] - [ 0.0115392500000000, 0.0000298100000000, -0.0166942600000000 ] - [ -0.0376893700000000, 0.0000330200000000, 0.0129987500000000 ] - [ -0.0378173600000000, 0.0000327900000000, 0.0131300900000000 ] - [ 0.0376894000000000, 0.0002803500000000, -0.0128856500000000 ] - [ 0.0378187300000000, 0.0002711800000000, -0.0132325900000000 ] - [ -0.0209520500000000, -0.0732671400000000, 0.0126418300000000 ] - [ -0.0199116900000000, 0.0001989100000000, 0.0120031900000000 ] - [ 0.0199152100000000, -0.0001951000000000, -0.0120090500000000 ] - [ 0.0199165000000000, -0.0000443800000000, -0.0120094400000000 ] - [ -0.0162122900000000, 0.0000208200000000, 0.0202037600000000 ] - [ -0.0162096200000000, -0.0000117500000000, 0.0202003800000000 ] - [ 0.0162128700000000, 0.0000856300000000, -0.0201967600000000 ] - [ 0.0162116700000000, -0.0000031600000000, -0.0202015500000000 ] - [ -0.0115370000000000, 0.0000054000000000, 0.0166954100000000 ] - [ -0.0115331400000000, 0.0000056700000000, 0.0166945400000000 ] - [ 0.0115090900000000, 0.0001074800000000, -0.0166172300000000 ] - [ 0.0115662400000000, 0.0001088400000000, -0.0167757300000000 ] - [ -0.0377484900000000, -0.0004915900000000, 0.0130629800000000 ] - [ -0.0377519100000000, 0.0000185600000000, 0.0130635700000000 ] - [ 0.0377526100000000, -0.0000356200000000, -0.0130644500000000 ] - [ 0.0377539800000000, -0.0000279500000000, -0.0130642200000000 ] - [ -0.0199087000000000, 0.0000582400000000, 0.0120096900000000 ] - [ -0.0199182800000000, 0.0000574600000000, 0.0120084700000000 ] - [ 0.0196372600000000, 0.0003940600000000, -0.0121147000000000 ] - [ 0.0201916100000000, 0.0003870400000000, -0.0119093600000000 ] - [ -0.0162023500000000, 0.0000024100000000, 0.0202244200000000 ] - [ -0.0162216200000000, 0.0000022300000000, 0.0201813800000000 ] - [ 0.0162223800000000, 0.0000056400000000, -0.0201846800000000 ] - [ 0.0161999700000000, 0.0000051500000000, -0.0202158200000000 ]- atom: 121 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0409892000000000, 0.0526891300000000, -0.0066619300000000 ] - [ 0.0411617200000000, 0.0526219500000000, -0.0066611100000000 ] - [ -0.0412278800000000, 0.0525944200000000, 0.0066728300000000 ] - [ -0.0412533600000000, 0.0525504400000000, 0.0066643200000000 ] - [ -0.0412533600000000, -0.0525504400000000, 0.0066643200000000 ] - [ -0.0412278800000000, -0.0525944200000000, 0.0066728300000000 ] - [ 0.0411617200000000, -0.0526219500000000, -0.0066611100000000 ] - [ 0.0409892000000000, -0.0526891300000000, -0.0066619300000000 ] - [ -0.0309698400000000, -0.0089441300000000, 0.0085028900000000 ] - [ -0.0291668700000000, -0.0108008900000000, 0.0070680600000000 ] - [ 0.0292664900000000, -0.0107714300000000, -0.0071393100000000 ] - [ 0.0292549900000000, -0.0108462700000000, -0.0071204000000000 ] - [ 0.0292549900000000, 0.0108462700000000, -0.0071204000000000 ] - [ 0.0292664900000000, 0.0107714300000000, -0.0071393100000000 ] - [ -0.0291668700000000, 0.0108008900000000, 0.0070680600000000 ] - [ -0.0309698400000000, 0.0089441300000000, 0.0085028900000000 ] - [ 0.0116845900000000, 0.0001132400000000, -0.0105947400000000 ] - [ 0.0116845900000000, -0.0001132400000000, -0.0105947400000000 ] - [ -0.0117159000000000, -0.0000102300000000, 0.0107255700000000 ] - [ -0.0117159000000000, 0.0000102300000000, 0.0107255700000000 ] - [ 0.0045650000000000, 0.0000000000000000, -0.0169647100000000 ] - [ 0.0044234500000000, 0.0000000000000000, -0.0170511400000000 ] - [ -0.0057680200000000, 0.0000000000000000, 0.0447111600000000 ] - [ -0.0043673300000000, 0.0000000000000000, 0.0169205100000000 ] - [ 0.0190730300000000, 0.0002421800000000, -0.0046095400000000 ] - [ 0.0190730300000000, -0.0002421800000000, -0.0046095400000000 ] - [ -0.0177796700000000, -0.0001907700000000, 0.0036374100000000 ] - [ -0.0177796700000000, 0.0001907700000000, 0.0036374100000000 ] - [ 0.0139550700000000, 0.0000470200000000, 0.0150042300000000 ] - [ 0.0139550700000000, -0.0000470200000000, 0.0150042300000000 ] - [ -0.0138582000000000, -0.0000667900000000, -0.0151918700000000 ] - [ -0.0138582000000000, 0.0000667900000000, -0.0151918700000000 ] - [ -0.0153770800000000, 0.0342510400000000, -0.0030941400000000 ] - [ -0.0165472100000000, 0.0345452700000000, -0.0032445900000000 ] - [ 0.0153775100000000, 0.0341489500000000, 0.0030781100000000 ] - [ 0.0152412600000000, 0.0336186500000000, 0.0031980700000000 ] - [ 0.0152412600000000, -0.0336186500000000, 0.0031980700000000 ] - [ 0.0153775100000000, -0.0341489500000000, 0.0030781100000000 ] - [ -0.0165472100000000, -0.0345452700000000, -0.0032445900000000 ] - [ -0.0153770800000000, -0.0342510400000000, -0.0030941400000000 ] - [ -0.0295035600000000, -0.0310000200000000, 0.0344515800000000 ] - [ -0.0297283600000000, -0.0313992200000000, 0.0343098800000000 ] - [ 0.0295120400000000, -0.0310603800000000, -0.0345136900000000 ] - [ 0.0295858800000000, -0.0308417800000000, -0.0341670100000000 ] - [ 0.0295858800000000, 0.0308417800000000, -0.0341670100000000 ] - [ 0.0295120400000000, 0.0310603800000000, -0.0345136900000000 ] - [ -0.0297283600000000, 0.0313992200000000, 0.0343098800000000 ] - [ -0.0295035600000000, 0.0310000200000000, 0.0344515800000000 ] - [ -0.0006207600000000, 0.0100674400000000, 0.0120591400000000 ] - [ -0.0002595800000000, 0.0098869700000000, 0.0119599400000000 ] - [ 0.0006311400000000, 0.0100760000000000, -0.0120325900000000 ] - [ 0.0006099700000000, 0.0101748000000000, -0.0119174800000000 ] - [ 0.0006099700000000, -0.0101748000000000, -0.0119174800000000 ] - [ 0.0006311400000000, -0.0100760000000000, -0.0120325900000000 ] - [ -0.0002595800000000, -0.0098869700000000, 0.0119599400000000 ] - [ -0.0006207600000000, -0.0100674400000000, 0.0120591400000000 ] - [ 0.0412546400000000, 0.0525714600000000, -0.0066554800000000 ] - [ 0.0412500400000000, 0.0525139500000000, -0.0066828800000000 ] - [ -0.0412783100000000, 0.0526562000000000, 0.0067228600000000 ] - [ -0.0413665000000000, 0.0526343500000000, 0.0066283300000000 ] - [ -0.0413665000000000, -0.0526343500000000, 0.0066283300000000 ] - [ -0.0412783100000000, -0.0526562000000000, 0.0067228600000000 ] - [ 0.0412500400000000, -0.0525139500000000, -0.0066828800000000 ] - [ 0.0412546400000000, -0.0525714600000000, -0.0066554800000000 ] - [ -0.0292566500000000, -0.0108159600000000, 0.0071357100000000 ] - [ -0.0292783000000000, -0.0108357000000000, 0.0071114300000000 ] - [ 0.0294661400000000, -0.0108284400000000, -0.0072052200000000 ] - [ 0.0292620500000000, -0.0108349400000000, -0.0068957700000000 ] - [ 0.0292620500000000, 0.0108349400000000, -0.0068957700000000 ] - [ 0.0294661400000000, 0.0108284400000000, -0.0072052200000000 ] - [ -0.0292783000000000, 0.0108357000000000, 0.0071114300000000 ] - [ -0.0292566500000000, 0.0108159600000000, 0.0071357100000000 ] - [ 0.0119335600000000, 0.0000000000000000, -0.0106886800000000 ] - [ 0.0117017500000000, 0.0000000000000000, -0.0107261400000000 ] - [ -0.0117044400000000, 0.0000000000000000, 0.0107354300000000 ] - [ -0.0117794300000000, 0.0000000000000000, 0.0107391300000000 ] - [ 0.0043462600000000, -0.0001549300000000, -0.0169764300000000 ] - [ 0.0043462600000000, 0.0001549300000000, -0.0169764300000000 ] - [ -0.0044220600000000, -0.0000080500000000, 0.0169551300000000 ] - [ -0.0044220600000000, 0.0000080500000000, 0.0169551300000000 ] - [ 0.0179595200000000, 0.0000000000000000, -0.0036579500000000 ] - [ 0.0178849800000000, 0.0000000000000000, -0.0035922400000000 ] - [ -0.0129174100000000, 0.0000000000000000, 0.0093065800000000 ] - [ -0.0178199000000000, 0.0000000000000000, 0.0036730300000000 ] - [ 0.0139219600000000, 0.0000000000000000, 0.0153352600000000 ] - [ 0.0139277600000000, 0.0000000000000000, 0.0150941000000000 ] - [ -0.0139498900000000, 0.0000000000000000, -0.0151009600000000 ] - [ -0.0139054200000000, 0.0000000000000000, -0.0151677700000000 ] - [ -0.0159876000000000, 0.0343793900000000, -0.0032214900000000 ] - [ -0.0155330700000000, 0.0342166200000000, -0.0031634300000000 ] - [ 0.0069941500000000, 0.0214702600000000, 0.0107638700000000 ] - [ 0.0148786000000000, 0.0337145600000000, 0.0031018700000000 ] - [ 0.0148786000000000, -0.0337145600000000, 0.0031018700000000 ] - [ 0.0069941500000000, -0.0214702600000000, 0.0107638700000000 ] - [ -0.0155330700000000, -0.0342166200000000, -0.0031634300000000 ] - [ -0.0159876000000000, -0.0343793900000000, -0.0032214900000000 ] - [ -0.0294961900000000, -0.0311264900000000, 0.0344342500000000 ] - [ -0.0294897700000000, -0.0310481100000000, 0.0344619100000000 ] - [ 0.0295209400000000, -0.0309304200000000, -0.0344676800000000 ] - [ 0.0294734600000000, -0.0310544000000000, -0.0344762500000000 ] - [ 0.0294734600000000, 0.0310544000000000, -0.0344762500000000 ] - [ 0.0295209400000000, 0.0309304200000000, -0.0344676800000000 ] - [ -0.0294897700000000, 0.0310481100000000, 0.0344619100000000 ] - [ -0.0294961900000000, 0.0311264900000000, 0.0344342500000000 ] - [ -0.0006031200000000, 0.0100882600000000, 0.0120160200000000 ] - [ -0.0006407400000000, 0.0101609200000000, 0.0120100400000000 ] - [ 0.0004308900000000, 0.0091499800000000, -0.0109489400000000 ] - [ 0.0004689200000000, 0.0093907100000000, -0.0118605200000000 ] - [ 0.0004689200000000, -0.0093907100000000, -0.0118605200000000 ] - [ 0.0004308900000000, -0.0091499800000000, -0.0109489400000000 ] - [ -0.0006407400000000, -0.0101609200000000, 0.0120100400000000 ] - [ -0.0006031200000000, -0.0100882600000000, 0.0120160200000000 ] - [ -0.0115889600000000, 0.0000000000000000, 0.0167501200000000 ] - [ -0.0115410900000000, 0.0000000000000000, 0.0166936900000000 ] - [ 0.0114884100000000, 0.0000000000000000, -0.0166858900000000 ] - [ 0.0115303400000000, 0.0000000000000000, -0.0167039000000000 ] - [ -0.0377504600000000, -0.0000193000000000, 0.0130770900000000 ] - [ -0.0377504600000000, 0.0000193000000000, 0.0130770900000000 ] - [ 0.0377103200000000, 0.0001510100000000, -0.0130132200000000 ] - [ 0.0377103200000000, -0.0001510100000000, -0.0130132200000000 ] - [ -0.0023102900000000, 0.0000000000000000, -0.0399368600000000 ] - [ -0.0196955400000000, 0.0000000000000000, 0.0118166600000000 ] - [ 0.0198181400000000, 0.0000000000000000, -0.0120238500000000 ] - [ 0.0199698800000000, 0.0000000000000000, -0.0120399000000000 ] - [ -0.0162076100000000, 0.0000000000000000, 0.0201577500000000 ] - [ -0.0162056700000000, 0.0000000000000000, 0.0202288800000000 ] - [ 0.0169681700000000, 0.0000000000000000, -0.0205202200000000 ] - [ 0.0162122500000000, 0.0000000000000000, -0.0202434600000000 ] - [ -0.0115363900000000, -0.0000078200000000, 0.0166981400000000 ] - [ -0.0115363900000000, 0.0000078200000000, 0.0166981400000000 ] - [ 0.0116135800000000, -0.0000196300000000, -0.0167030800000000 ] - [ 0.0116135800000000, 0.0000196300000000, -0.0167030800000000 ] - [ -0.0369406300000000, 0.0000000000000000, 0.0136287500000000 ] - [ -0.0378785700000000, 0.0000000000000000, 0.0130747700000000 ] - [ 0.0377348300000000, 0.0000000000000000, -0.0130905600000000 ] - [ 0.0377618300000000, 0.0000000000000000, -0.0130783800000000 ] - [ -0.0199471700000000, 0.0000009600000000, 0.0120268700000000 ] - [ -0.0199471700000000, -0.0000009600000000, 0.0120268700000000 ] - [ 0.0199573600000000, -0.0000179300000000, -0.0120668800000000 ] - [ 0.0199573600000000, 0.0000179300000000, -0.0120668800000000 ] - [ -0.0161972300000000, -0.0000121700000000, 0.0202002300000000 ] - [ -0.0161972300000000, 0.0000121700000000, 0.0202002300000000 ] - [ 0.0162108000000000, 0.0000128600000000, -0.0201867100000000 ] - [ 0.0162108000000000, -0.0000128600000000, -0.0201867100000000 ]- atom: 121 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0414936700000000, 0.0524566900000000, -0.0066352400000000 ] - [ 0.0413358000000000, 0.0525023200000000, -0.0066316500000000 ] - [ -0.0412720700000000, 0.0525298400000000, 0.0066226500000000 ] - [ -0.0412443300000000, 0.0525715300000000, 0.0066309800000000 ] - [ -0.0412443300000000, -0.0525715300000000, 0.0066309800000000 ] - [ -0.0412720700000000, -0.0525298400000000, 0.0066226500000000 ] - [ 0.0413358000000000, -0.0525023200000000, -0.0066316500000000 ] - [ 0.0414936700000000, -0.0524566900000000, -0.0066352400000000 ] - [ -0.0275417500000000, -0.0127073300000000, 0.0058094700000000 ] - [ -0.0293308300000000, -0.0108399300000000, 0.0071857600000000 ] - [ 0.0292350300000000, -0.0108678200000000, -0.0071114500000000 ] - [ 0.0292449500000000, -0.0107937200000000, -0.0071306200000000 ] - [ 0.0292449500000000, 0.0107937200000000, -0.0071306200000000 ] - [ 0.0292350300000000, 0.0108678200000000, -0.0071114500000000 ] - [ -0.0293308300000000, 0.0108399300000000, 0.0071857600000000 ] - [ -0.0275417500000000, 0.0127073300000000, 0.0058094700000000 ] - [ 0.0117530500000000, -0.0001152900000000, -0.0108755000000000 ] - [ 0.0117530500000000, 0.0001152900000000, -0.0108755000000000 ] - [ -0.0117155800000000, 0.0000097900000000, 0.0107579600000000 ] - [ -0.0117155800000000, -0.0000097900000000, 0.0107579600000000 ] - [ 0.0042660600000000, 0.0000000000000000, -0.0171207000000000 ] - [ 0.0044068600000000, 0.0000000000000000, -0.0170371100000000 ] - [ -0.0030521900000000, 0.0000000000000000, -0.0087777900000000 ] - [ -0.0044657800000000, 0.0000000000000000, 0.0171678500000000 ] - [ 0.0167518700000000, -0.0002530500000000, -0.0024729600000000 ] - [ 0.0167518700000000, 0.0002530500000000, -0.0024729600000000 ] - [ -0.0180666500000000, 0.0001901900000000, 0.0034656300000000 ] - [ -0.0180666500000000, -0.0001901900000000, 0.0034656300000000 ] - [ 0.0138949900000000, -0.0000443000000000, 0.0153028600000000 ] - [ 0.0138949900000000, 0.0000443000000000, 0.0153028600000000 ] - [ -0.0139899000000000, 0.0000686800000000, -0.0151064100000000 ] - [ -0.0139899000000000, -0.0000686800000000, -0.0151064100000000 ] - [ -0.0154204500000000, 0.0342315400000000, -0.0030274100000000 ] - [ -0.0142374900000000, 0.0339289700000000, -0.0028658800000000 ] - [ 0.0154223000000000, 0.0343329400000000, 0.0030468100000000 ] - [ 0.0155616600000000, 0.0348709200000000, 0.0029211800000000 ] - [ 0.0155616600000000, -0.0348709200000000, 0.0029211800000000 ] - [ 0.0154223000000000, -0.0343329400000000, 0.0030468100000000 ] - [ -0.0142374900000000, -0.0339289700000000, -0.0028658800000000 ] - [ -0.0154204500000000, -0.0342315400000000, -0.0030274100000000 ] - [ -0.0294416400000000, -0.0311197900000000, 0.0344205100000000 ] - [ -0.0292146100000000, -0.0307095400000000, 0.0345656800000000 ] - [ 0.0294332500000000, -0.0310585700000000, -0.0343583400000000 ] - [ 0.0293589200000000, -0.0312830100000000, -0.0347130200000000 ] - [ 0.0293589200000000, 0.0312830100000000, -0.0347130200000000 ] - [ 0.0294332500000000, 0.0310585700000000, -0.0343583400000000 ] - [ -0.0292146100000000, 0.0307095400000000, 0.0345656800000000 ] - [ -0.0294416400000000, 0.0311197900000000, 0.0344205100000000 ] - [ -0.0006368500000000, 0.0101366700000000, 0.0120605200000000 ] - [ -0.0010052900000000, 0.0103099500000000, 0.0121634100000000 ] - [ 0.0006295600000000, 0.0101286600000000, -0.0120848400000000 ] - [ 0.0006483500000000, 0.0100283800000000, -0.0122006400000000 ] - [ 0.0006483500000000, -0.0100283800000000, -0.0122006400000000 ] - [ 0.0006295600000000, -0.0101286600000000, -0.0120848400000000 ] - [ -0.0010052900000000, -0.0103099500000000, 0.0121634100000000 ] - [ -0.0006368500000000, -0.0101366700000000, 0.0120605200000000 ] - [ 0.0412462300000000, 0.0525538800000000, -0.0066367700000000 ] - [ 0.0412508200000000, 0.0526113600000000, -0.0066092800000000 ] - [ -0.0412200000000000, 0.0524691100000000, 0.0065753800000000 ] - [ -0.0411330300000000, 0.0524879100000000, 0.0066682500000000 ] - [ -0.0411330300000000, -0.0524879100000000, 0.0066682500000000 ] - [ -0.0412200000000000, -0.0524691100000000, 0.0065753800000000 ] - [ 0.0412508200000000, -0.0526113600000000, -0.0066092800000000 ] - [ 0.0412462300000000, -0.0525538800000000, -0.0066367700000000 ] - [ -0.0292401900000000, -0.0108228800000000, 0.0071170600000000 ] - [ -0.0292196200000000, -0.0108045700000000, 0.0071422900000000 ] - [ 0.0290333600000000, -0.0108089600000000, -0.0070459800000000 ] - [ 0.0292354800000000, -0.0108110000000000, -0.0073699500000000 ] - [ 0.0292354800000000, 0.0108110000000000, -0.0073699500000000 ] - [ 0.0290333600000000, 0.0108089600000000, -0.0070459800000000 ] - [ -0.0292196200000000, 0.0108045700000000, 0.0071422900000000 ] - [ -0.0292401900000000, 0.0108228800000000, 0.0071170600000000 ] - [ 0.0114943300000000, 0.0000000000000000, -0.0107915000000000 ] - [ 0.0117327600000000, 0.0000000000000000, -0.0107524000000000 ] - [ -0.0117292900000000, 0.0000000000000000, 0.0107446800000000 ] - [ -0.0116521800000000, 0.0000000000000000, 0.0107415900000000 ] - [ 0.0044840000000000, 0.0001539800000000, -0.0171109800000000 ] - [ 0.0044840000000000, -0.0001539800000000, -0.0171109800000000 ] - [ -0.0044066000000000, 0.0000080900000000, 0.0171369200000000 ] - [ -0.0044066000000000, -0.0000080900000000, 0.0171369200000000 ] - [ 0.0178877800000000, 0.0000000000000000, -0.0034426400000000 ] - [ 0.0179614600000000, 0.0000000000000000, -0.0035082300000000 ] - [ -0.0229597300000000, 0.0000000000000000, -0.0021685800000000 ] - [ -0.0180246100000000, 0.0000000000000000, 0.0034298800000000 ] - [ 0.0139231200000000, 0.0000000000000000, 0.0149686800000000 ] - [ 0.0139172200000000, 0.0000000000000000, 0.0152096700000000 ] - [ -0.0138927500000000, 0.0000000000000000, -0.0151967900000000 ] - [ -0.0139394400000000, 0.0000000000000000, -0.0151327000000000 ] - [ -0.0147997500000000, 0.0341027200000000, -0.0028947900000000 ] - [ -0.0152638900000000, 0.0342635400000000, -0.0029576500000000 ] - [ 0.0240106400000000, 0.0474239500000000, -0.0047748600000000 ] - [ 0.0159272200000000, 0.0347713700000000, 0.0030220000000000 ] - [ 0.0159272200000000, -0.0347713700000000, 0.0030220000000000 ] - [ 0.0240106400000000, -0.0474239500000000, -0.0047748600000000 ] - [ -0.0152638900000000, -0.0342635400000000, -0.0029576500000000 ] - [ -0.0147997500000000, -0.0341027200000000, -0.0028947900000000 ] - [ -0.0294500600000000, -0.0309907200000000, 0.0344379900000000 ] - [ -0.0294566900000000, -0.0310687500000000, 0.0344116600000000 ] - [ 0.0294294600000000, -0.0311854500000000, -0.0344043100000000 ] - [ 0.0294736300000000, -0.0310638400000000, -0.0343968200000000 ] - [ 0.0294736300000000, 0.0310638400000000, -0.0343968200000000 ] - [ 0.0294294600000000, 0.0311854500000000, -0.0344043100000000 ] - [ -0.0294566900000000, 0.0310687500000000, 0.0344116600000000 ] - [ -0.0294500600000000, 0.0309907200000000, 0.0344379900000000 ] - [ -0.0006513500000000, 0.0101175400000000, 0.0121069400000000 ] - [ -0.0006188100000000, 0.0100410700000000, 0.0121081700000000 ] - [ 0.0008506400000000, 0.0110962700000000, -0.0131675800000000 ] - [ 0.0007910700000000, 0.0108203400000000, -0.0122707200000000 ] - [ 0.0007910700000000, -0.0108203400000000, -0.0122707200000000 ] - [ 0.0008506400000000, -0.0110962700000000, -0.0131675800000000 ] - [ -0.0006188100000000, -0.0100410700000000, 0.0121081700000000 ] - [ -0.0006513500000000, -0.0101175400000000, 0.0121069400000000 ] - [ -0.0114847800000000, 0.0000000000000000, 0.0166344700000000 ] - [ -0.0115313400000000, 0.0000000000000000, 0.0166942600000000 ] - [ 0.0115897000000000, 0.0000000000000000, -0.0166993500000000 ] - [ 0.0115449300000000, 0.0000000000000000, -0.0166808600000000 ] - [ -0.0377576200000000, 0.0000205600000000, 0.0130503100000000 ] - [ -0.0377576200000000, -0.0000205600000000, 0.0130503100000000 ] - [ 0.0377959500000000, -0.0001484600000000, -0.0131097300000000 ] - [ 0.0377959500000000, 0.0001484600000000, -0.0131097300000000 ] - [ -0.0380008000000000, 0.0000000000000000, 0.0620339000000000 ] - [ -0.0201327200000000, 0.0000000000000000, 0.0122078100000000 ] - [ 0.0200128800000000, 0.0000000000000000, -0.0119959100000000 ] - [ 0.0198607900000000, 0.0000000000000000, -0.0119809900000000 ] - [ -0.0162149300000000, 0.0000000000000000, 0.0202475900000000 ] - [ -0.0162165000000000, 0.0000000000000000, 0.0201745900000000 ] - [ 0.0154366000000000, 0.0000000000000000, -0.0198867200000000 ] - [ 0.0162122700000000, 0.0000000000000000, -0.0201597800000000 ] - [ -0.0115365700000000, 0.0000081000000000, 0.0166889400000000 ] - [ -0.0115365700000000, -0.0000081000000000, 0.0166889400000000 ] - [ 0.0114600700000000, 0.0000217300000000, -0.0166820600000000 ] - [ 0.0114600700000000, -0.0000217300000000, -0.0166820600000000 ] - [ -0.0385566400000000, 0.0000000000000000, 0.0124916600000000 ] - [ -0.0376291600000000, 0.0000000000000000, 0.0130530100000000 ] - [ 0.0377714300000000, 0.0000000000000000, -0.0130338400000000 ] - [ 0.0377448500000000, 0.0000000000000000, -0.0130470400000000 ] - [ -0.0198809900000000, -0.0000013900000000, 0.0119933800000000 ] - [ -0.0198809900000000, 0.0000013900000000, 0.0119933800000000 ] - [ 0.0198750400000000, 0.0000127600000000, -0.0119518400000000 ] - [ 0.0198750400000000, -0.0000127600000000, -0.0119518400000000 ] - [ -0.0162270900000000, 0.0000122300000000, 0.0202070100000000 ] - [ -0.0162270900000000, -0.0000122300000000, 0.0202070100000000 ] - [ 0.0162125900000000, -0.0000129400000000, -0.0202158100000000 ] - [ 0.0162125900000000, 0.0000129400000000, -0.0202158100000000 ]- atom: 125 displacement: [ 0.0099999629103257, 0.0000000000000000, 0.0000272358607425 ] forces: - [ 0.0411828400000000, 0.0523096800000000, -0.0066732200000000 ] - [ 0.0412089700000000, 0.0525480500000000, -0.0066634600000000 ] - [ -0.0398194900000000, 0.0542262700000000, 0.0062386600000000 ] - [ -0.0411473400000000, 0.0527392400000000, 0.0067292900000000 ] - [ -0.0411473400000000, -0.0527392400000000, 0.0067292900000000 ] - [ -0.0398194900000000, -0.0542262700000000, 0.0062386600000000 ] - [ 0.0412089700000000, -0.0525480500000000, -0.0066634600000000 ] - [ 0.0411828400000000, -0.0523096800000000, -0.0066732200000000 ] - [ -0.0292598200000000, -0.0107731400000000, 0.0071222600000000 ] - [ -0.0292849600000000, -0.0108602000000000, 0.0071179500000000 ] - [ 0.0317609900000000, -0.0098594100000000, -0.0056647600000000 ] - [ 0.0292245500000000, -0.0108770100000000, -0.0071529000000000 ] - [ 0.0292245500000000, 0.0108770100000000, -0.0071529000000000 ] - [ 0.0317609900000000, 0.0098594100000000, -0.0056647600000000 ] - [ -0.0292849600000000, 0.0108602000000000, 0.0071179500000000 ] - [ -0.0292598200000000, 0.0107731400000000, 0.0071222600000000 ] - [ 0.0117644300000000, 0.0000486800000000, -0.0107541500000000 ] - [ 0.0117644300000000, -0.0000486800000000, -0.0107541500000000 ] - [ -0.0114203400000000, -0.0001070300000000, 0.0111169000000000 ] - [ -0.0114203400000000, 0.0001070300000000, 0.0111169000000000 ] - [ 0.0135965400000000, 0.0000000000000000, -0.0076304900000000 ] - [ 0.0044657000000000, 0.0000000000000000, -0.0170115400000000 ] - [ -0.0044299000000000, 0.0000000000000000, 0.0169920700000000 ] - [ -0.0044257800000000, 0.0000000000000000, 0.0170137200000000 ] - [ 0.0179930900000000, -0.0000587400000000, -0.0035862600000000 ] - [ 0.0179930900000000, 0.0000587400000000, -0.0035862600000000 ] - [ -0.0178874000000000, 0.0000478700000000, 0.0035351500000000 ] - [ -0.0178874000000000, -0.0000478700000000, 0.0035351500000000 ] - [ 0.0131809200000000, -0.0004718900000000, 0.0157248100000000 ] - [ 0.0131809200000000, 0.0004718900000000, 0.0157248100000000 ] - [ -0.0139339000000000, 0.0000594000000000, -0.0149023900000000 ] - [ -0.0139339000000000, -0.0000594000000000, -0.0149023900000000 ] - [ -0.0153883500000000, 0.0342301100000000, -0.0030486400000000 ] - [ -0.0154440700000000, 0.0343145900000000, -0.0029339300000000 ] - [ 0.0153829900000000, 0.0342382500000000, 0.0030752200000000 ] - [ 0.0156278400000000, 0.0340865100000000, 0.0028342500000000 ] - [ 0.0156278400000000, -0.0340865100000000, 0.0028342500000000 ] - [ 0.0153829900000000, -0.0342382500000000, 0.0030752200000000 ] - [ -0.0154440700000000, -0.0343145900000000, -0.0029339300000000 ] - [ -0.0153883500000000, -0.0342301100000000, -0.0030486400000000 ] - [ -0.0295665600000000, -0.0310787500000000, 0.0343840100000000 ] - [ -0.0297237800000000, -0.0307833900000000, 0.0337438500000000 ] - [ 0.0297022400000000, -0.0312616100000000, -0.0350670500000000 ] - [ 0.0403287800000000, -0.0459809100000000, -0.0418073500000000 ] - [ 0.0403287800000000, 0.0459809100000000, -0.0418073500000000 ] - [ 0.0297022400000000, 0.0312616100000000, -0.0350670500000000 ] - [ -0.0297237800000000, 0.0307833900000000, 0.0337438500000000 ] - [ -0.0295665600000000, 0.0310787500000000, 0.0343840100000000 ] - [ -0.0006059200000000, 0.0100703700000000, 0.0120732400000000 ] - [ -0.0005711500000000, 0.0101056400000000, 0.0121019500000000 ] - [ 0.0006330100000000, 0.0100948700000000, -0.0120461500000000 ] - [ 0.0005055200000000, 0.0092764300000000, -0.0119262100000000 ] - [ 0.0005055200000000, -0.0092764300000000, -0.0119262100000000 ] - [ 0.0006330100000000, -0.0100948700000000, -0.0120461500000000 ] - [ -0.0005711500000000, -0.0101056400000000, 0.0121019500000000 ] - [ -0.0006059200000000, -0.0100703700000000, 0.0120732400000000 ] - [ 0.0412482100000000, 0.0525461900000000, -0.0066737600000000 ] - [ 0.0412323700000000, 0.0525603200000000, -0.0066008600000000 ] - [ -0.0412743700000000, 0.0527373900000000, 0.0066274500000000 ] - [ -0.0399473200000000, 0.0543708700000000, 0.0061237200000000 ] - [ -0.0399473200000000, -0.0543708700000000, 0.0061237200000000 ] - [ -0.0412743700000000, -0.0527373900000000, 0.0066274500000000 ] - [ 0.0412323700000000, -0.0525603200000000, -0.0066008600000000 ] - [ 0.0412482100000000, -0.0525461900000000, -0.0066737600000000 ] - [ -0.0292557800000000, -0.0108375100000000, 0.0071531300000000 ] - [ -0.0292530900000000, -0.0108258300000000, 0.0070915300000000 ] - [ 0.0292413100000000, -0.0108489400000000, -0.0071128700000000 ] - [ 0.0291475800000000, -0.0108473000000000, -0.0070569000000000 ] - [ 0.0291475800000000, 0.0108473000000000, -0.0070569000000000 ] - [ 0.0292413100000000, 0.0108489400000000, -0.0071128700000000 ] - [ -0.0292530900000000, 0.0108258300000000, 0.0070915300000000 ] - [ -0.0292557800000000, 0.0108375100000000, 0.0071531300000000 ] - [ 0.0118010500000000, 0.0000000000000000, -0.0107201500000000 ] - [ 0.0117472400000000, 0.0000000000000000, -0.0107598500000000 ] - [ 0.0273365100000000, 0.0000000000000000, 0.0253320800000000 ] - [ -0.0117500800000000, 0.0000000000000000, 0.0108142800000000 ] - [ 0.0044165700000000, -0.0000405600000000, -0.0170986000000000 ] - [ 0.0044165700000000, 0.0000405600000000, -0.0170986000000000 ] - [ -0.0044057000000000, 0.0000032500000000, 0.0170202700000000 ] - [ -0.0044057000000000, -0.0000032500000000, 0.0170202700000000 ] - [ 0.0178286600000000, 0.0000000000000000, -0.0039631200000000 ] - [ 0.0179402900000000, 0.0000000000000000, -0.0035304900000000 ] - [ -0.0179140400000000, 0.0000000000000000, 0.0035454900000000 ] - [ -0.0179284900000000, 0.0000000000000000, 0.0035125100000000 ] - [ 0.0138085600000000, 0.0000000000000000, 0.0150609600000000 ] - [ 0.0139282900000000, 0.0000000000000000, 0.0151484600000000 ] - [ -0.0139534100000000, 0.0000000000000000, -0.0155444100000000 ] - [ -0.0139890500000000, 0.0000000000000000, -0.0151855500000000 ] - [ -0.0155735500000000, 0.0346055200000000, -0.0030772300000000 ] - [ -0.0154199000000000, 0.0342657600000000, -0.0030513100000000 ] - [ 0.0153568800000000, 0.0342715000000000, 0.0030137300000000 ] - [ 0.0154261600000000, 0.0342751400000000, 0.0030103500000000 ] - [ 0.0154261600000000, -0.0342751400000000, 0.0030103500000000 ] - [ 0.0153568800000000, -0.0342715000000000, 0.0030137300000000 ] - [ -0.0154199000000000, -0.0342657600000000, -0.0030513100000000 ] - [ -0.0155735500000000, -0.0346055200000000, -0.0030772300000000 ] - [ -0.0294180800000000, -0.0310667900000000, 0.0344894100000000 ] - [ -0.0294158100000000, -0.0310779300000000, 0.0344956700000000 ] - [ 0.0292271300000000, -0.0306924200000000, -0.0343767200000000 ] - [ 0.0295799500000000, -0.0309544500000000, -0.0344391100000000 ] - [ 0.0295799500000000, 0.0309544500000000, -0.0344391100000000 ] - [ 0.0292271300000000, 0.0306924200000000, -0.0343767200000000 ] - [ -0.0294158100000000, 0.0310779300000000, 0.0344956700000000 ] - [ -0.0294180800000000, 0.0310667900000000, 0.0344894100000000 ] - [ -0.0005925500000000, 0.0099835000000000, 0.0121039800000000 ] - [ -0.0005971900000000, 0.0100722300000000, 0.0119936500000000 ] - [ 0.0004715200000000, 0.0101068300000000, -0.0119523200000000 ] - [ 0.0006297100000000, 0.0100875600000000, -0.0120176300000000 ] - [ 0.0006297100000000, -0.0100875600000000, -0.0120176300000000 ] - [ 0.0004715200000000, -0.0101068300000000, -0.0119523200000000 ] - [ -0.0005971900000000, -0.0100722300000000, 0.0119936500000000 ] - [ -0.0005925500000000, -0.0099835000000000, 0.0121039800000000 ] - [ -0.0114405200000000, 0.0000000000000000, 0.0172119200000000 ] - [ -0.0115139700000000, 0.0000000000000000, 0.0167037400000000 ] - [ 0.0117594500000000, 0.0000000000000000, -0.0165843000000000 ] - [ 0.0114225600000000, 0.0000000000000000, -0.0166672400000000 ] - [ -0.0376276600000000, -0.0001580900000000, 0.0130189800000000 ] - [ -0.0376276600000000, 0.0001580900000000, 0.0130189800000000 ] - [ 0.0377059100000000, -0.0001034500000000, -0.0129724400000000 ] - [ 0.0377059100000000, 0.0001034500000000, -0.0129724400000000 ] - [ -0.0199121700000000, 0.0000000000000000, 0.0120174300000000 ] - [ -0.0199213600000000, 0.0000000000000000, 0.0120151300000000 ] - [ 0.0194017100000000, 0.0000000000000000, -0.0113637500000000 ] - [ 0.0199244900000000, 0.0000000000000000, -0.0120073900000000 ] - [ -0.0948046900000000, 0.0000000000000000, 0.0089629600000000 ] - [ -0.0163559200000000, 0.0000000000000000, 0.0203386700000000 ] - [ 0.0161854800000000, 0.0000000000000000, -0.0201037800000000 ] - [ 0.0162020100000000, 0.0000000000000000, -0.0201635500000000 ] - [ -0.0115608500000000, -0.0000261100000000, 0.0166817800000000 ] - [ -0.0115608500000000, 0.0000261100000000, 0.0166817800000000 ] - [ 0.0115737700000000, -0.0002785900000000, -0.0166748800000000 ] - [ 0.0115737700000000, 0.0002785900000000, -0.0166748800000000 ] - [ -0.0377089500000000, 0.0000000000000000, 0.0130305500000000 ] - [ -0.0377523500000000, 0.0000000000000000, 0.0130488300000000 ] - [ 0.0376828000000000, 0.0000000000000000, -0.0129671100000000 ] - [ 0.0377736300000000, 0.0000000000000000, -0.0130570300000000 ] - [ -0.0199125800000000, -0.0000099200000000, 0.0120289400000000 ] - [ -0.0199125800000000, 0.0000099200000000, 0.0120289400000000 ] - [ 0.0199162900000000, 0.0000108900000000, -0.0120098200000000 ] - [ 0.0199162900000000, -0.0000108900000000, -0.0120098200000000 ] - [ -0.0160427400000000, -0.0000029200000000, 0.0201353100000000 ] - [ -0.0160427400000000, 0.0000029200000000, 0.0201353100000000 ] - [ 0.0161785700000000, -0.0000039000000000, -0.0201890300000000 ] - [ 0.0161785700000000, 0.0000039000000000, -0.0201890300000000 ]- atom: 125 displacement: [ -0.0099999629103257, 0.0000000000000000, -0.0000272358607425 ] forces: - [ 0.0413094400000000, 0.0528106700000000, -0.0066264100000000 ] - [ 0.0412871200000000, 0.0525762100000000, -0.0066328300000000 ] - [ -0.0426385500000000, 0.0509309700000000, 0.0070451300000000 ] - [ -0.0413532400000000, 0.0523854600000000, 0.0065643100000000 ] - [ -0.0413532400000000, -0.0523854600000000, 0.0065643100000000 ] - [ -0.0426385500000000, -0.0509309700000000, 0.0070451300000000 ] - [ 0.0412871200000000, -0.0525762100000000, -0.0066328300000000 ] - [ 0.0413094400000000, -0.0528106700000000, -0.0066264100000000 ] - [ -0.0292406400000000, -0.0108679700000000, 0.0071306900000000 ] - [ -0.0292156700000000, -0.0107845000000000, 0.0071365300000000 ] - [ 0.0267548500000000, -0.0117643100000000, -0.0085692200000000 ] - [ 0.0292736000000000, -0.0107667500000000, -0.0071001000000000 ] - [ 0.0292736000000000, 0.0107667500000000, -0.0071001000000000 ] - [ 0.0267548500000000, 0.0117643100000000, -0.0085692200000000 ] - [ -0.0292156700000000, 0.0107845000000000, 0.0071365300000000 ] - [ -0.0292406400000000, 0.0108679700000000, 0.0071306900000000 ] - [ 0.0116697600000000, -0.0000481300000000, -0.0107214200000000 ] - [ 0.0116697600000000, 0.0000481300000000, -0.0107214200000000 ] - [ -0.0119937900000000, 0.0001100300000000, 0.0103711800000000 ] - [ -0.0119937900000000, -0.0001100300000000, 0.0103711800000000 ] - [ -0.0045942500000000, 0.0000000000000000, -0.0260295100000000 ] - [ 0.0043657900000000, 0.0000000000000000, -0.0170735800000000 ] - [ -0.0044067100000000, 0.0000000000000000, 0.0170966000000000 ] - [ -0.0044098700000000, 0.0000000000000000, 0.0170729000000000 ] - [ 0.0178520300000000, 0.0000578200000000, -0.0035235600000000 ] - [ 0.0178520300000000, -0.0000578200000000, -0.0035235600000000 ] - [ -0.0179598700000000, -0.0000478200000000, 0.0035745800000000 ] - [ -0.0179598700000000, 0.0000478200000000, 0.0035745800000000 ] - [ 0.0146368600000000, 0.0004630600000000, 0.0145868300000000 ] - [ 0.0146368600000000, -0.0004630600000000, 0.0145868300000000 ] - [ -0.0139111800000000, -0.0000612000000000, -0.0153900000000000 ] - [ -0.0139111800000000, 0.0000612000000000, -0.0153900000000000 ] - [ -0.0154089700000000, 0.0342502300000000, -0.0030753600000000 ] - [ -0.0153519500000000, 0.0341668500000000, -0.0031902300000000 ] - [ 0.0154130500000000, 0.0342430200000000, 0.0030519700000000 ] - [ 0.0151709100000000, 0.0343936300000000, 0.0032895400000000 ] - [ 0.0151709100000000, -0.0343936300000000, 0.0032895400000000 ] - [ 0.0154130500000000, -0.0342430200000000, 0.0030519700000000 ] - [ -0.0153519500000000, -0.0341668500000000, -0.0031902300000000 ] - [ -0.0154089700000000, -0.0342502300000000, -0.0030753600000000 ] - [ -0.0293851500000000, -0.0310404800000000, 0.0344922100000000 ] - [ -0.0292294400000000, -0.0313368900000000, 0.0351219200000000 ] - [ 0.0292471600000000, -0.0308598200000000, -0.0338131900000000 ] - [ 0.0187461800000000, -0.0165778800000000, -0.0272852400000000 ] - [ 0.0187461800000000, 0.0165778800000000, -0.0272852400000000 ] - [ 0.0292471600000000, 0.0308598200000000, -0.0338131900000000 ] - [ -0.0292294400000000, 0.0313368900000000, 0.0351219200000000 ] - [ -0.0293851500000000, 0.0310404800000000, 0.0344922100000000 ] - [ -0.0006532800000000, 0.0101347200000000, 0.0120455600000000 ] - [ -0.0006885100000000, 0.0101016400000000, 0.0120201300000000 ] - [ 0.0006251900000000, 0.0101102600000000, -0.0120708200000000 ] - [ 0.0007589200000000, 0.0109216200000000, -0.0121858700000000 ] - [ 0.0007589200000000, -0.0109216200000000, -0.0121858700000000 ] - [ 0.0006251900000000, -0.0101102600000000, -0.0120708200000000 ] - [ -0.0006885100000000, -0.0101016400000000, 0.0120201300000000 ] - [ -0.0006532800000000, -0.0101347200000000, 0.0120455600000000 ] - [ 0.0412497900000000, 0.0525771300000000, -0.0066194800000000 ] - [ 0.0412682900000000, 0.0525635600000000, -0.0066953800000000 ] - [ -0.0412203900000000, 0.0523894100000000, 0.0066645000000000 ] - [ -0.0426250400000000, 0.0507911700000000, 0.0071322200000000 ] - [ -0.0426250400000000, -0.0507911700000000, 0.0071322200000000 ] - [ -0.0412203900000000, -0.0523894100000000, 0.0066645000000000 ] - [ 0.0412682900000000, -0.0525635600000000, -0.0066953800000000 ] - [ 0.0412497900000000, -0.0525771300000000, -0.0066194800000000 ] - [ -0.0292439700000000, -0.0108036100000000, 0.0071005600000000 ] - [ -0.0292487900000000, -0.0108137400000000, 0.0071628100000000 ] - [ 0.0292563900000000, -0.0107925200000000, -0.0071393100000000 ] - [ 0.0293511200000000, -0.0107914000000000, -0.0072054200000000 ] - [ 0.0293511200000000, 0.0107914000000000, -0.0072054200000000 ] - [ 0.0292563900000000, 0.0107925200000000, -0.0071393100000000 ] - [ -0.0292487900000000, 0.0108137400000000, 0.0071628100000000 ] - [ -0.0292439700000000, 0.0108036100000000, 0.0071005600000000 ] - [ 0.0116372700000000, 0.0000000000000000, -0.0107575900000000 ] - [ 0.0116890200000000, 0.0000000000000000, -0.0107175600000000 ] - [ -0.0529715100000000, 0.0000000000000000, -0.0047132600000000 ] - [ -0.0116931200000000, 0.0000000000000000, 0.0106686600000000 ] - [ 0.0044163200000000, 0.0000386700000000, -0.0169873100000000 ] - [ 0.0044163200000000, -0.0000386700000000, -0.0169873100000000 ] - [ -0.0044276400000000, -0.0000032300000000, 0.0170668300000000 ] - [ -0.0044276400000000, 0.0000032300000000, 0.0170668300000000 ] - [ 0.0180153400000000, 0.0000000000000000, -0.0031462300000000 ] - [ 0.0179054800000000, 0.0000000000000000, -0.0035748700000000 ] - [ -0.0179353500000000, 0.0000000000000000, 0.0035608000000000 ] - [ -0.0179201200000000, 0.0000000000000000, 0.0035947000000000 ] - [ 0.0140432700000000, 0.0000000000000000, 0.0152346400000000 ] - [ 0.0139173300000000, 0.0000000000000000, 0.0151523600000000 ] - [ -0.0138936800000000, 0.0000000000000000, -0.0147597000000000 ] - [ -0.0138594400000000, 0.0000000000000000, -0.0151149900000000 ] - [ -0.0152296800000000, 0.0338841800000000, -0.0030477500000000 ] - [ -0.0153793500000000, 0.0342153200000000, -0.0030737200000000 ] - [ 0.0154417300000000, 0.0342098200000000, 0.0031116400000000 ] - [ 0.0153697200000000, 0.0342052900000000, 0.0031154400000000 ] - [ 0.0153697200000000, -0.0342052900000000, 0.0031154400000000 ] - [ 0.0154417300000000, -0.0342098200000000, 0.0031116400000000 ] - [ -0.0153793500000000, -0.0342153200000000, -0.0030737200000000 ] - [ -0.0152296800000000, -0.0338841800000000, -0.0030477500000000 ] - [ -0.0295331800000000, -0.0310535800000000, 0.0343964400000000 ] - [ -0.0295314200000000, -0.0310414300000000, 0.0343810900000000 ] - [ 0.0297072800000000, -0.0313906600000000, -0.0344873700000000 ] - [ 0.0293660000000000, -0.0311576700000000, -0.0344325300000000 ] - [ 0.0293660000000000, 0.0311576700000000, -0.0344325300000000 ] - [ 0.0297072800000000, 0.0313906600000000, -0.0344873700000000 ] - [ -0.0295314200000000, 0.0310414300000000, 0.0343810900000000 ] - [ -0.0295331800000000, 0.0310535800000000, 0.0343964400000000 ] - [ -0.0006643200000000, 0.0102178600000000, 0.0120148900000000 ] - [ -0.0006611900000000, 0.0101345600000000, 0.0121216900000000 ] - [ 0.0007784600000000, 0.0100959300000000, -0.0121652200000000 ] - [ 0.0006289800000000, 0.0101162700000000, -0.0120985300000000 ] - [ 0.0006289800000000, -0.0101162700000000, -0.0120985300000000 ] - [ 0.0007784600000000, -0.0100959300000000, -0.0121652200000000 ] - [ -0.0006611900000000, -0.0101345600000000, 0.0121216900000000 ] - [ -0.0006643200000000, -0.0102178600000000, 0.0120148900000000 ] - [ -0.0116358300000000, 0.0000000000000000, 0.0161670600000000 ] - [ -0.0115630800000000, 0.0000000000000000, 0.0166831100000000 ] - [ 0.0113275600000000, 0.0000000000000000, -0.0168019000000000 ] - [ 0.0116503900000000, 0.0000000000000000, -0.0167181400000000 ] - [ -0.0378843200000000, 0.0001546600000000, 0.0131045900000000 ] - [ -0.0378843200000000, -0.0001546600000000, 0.0131045900000000 ] - [ 0.0377994500000000, 0.0001013500000000, -0.0131503300000000 ] - [ 0.0377994500000000, -0.0001013500000000, -0.0131503300000000 ] - [ -0.0199177600000000, 0.0000000000000000, 0.0120062700000000 ] - [ -0.0199087700000000, 0.0000000000000000, 0.0120085100000000 ] - [ 0.0204268000000000, 0.0000000000000000, -0.0126477000000000 ] - [ 0.0199032700000000, 0.0000000000000000, -0.0120139400000000 ] - [ 0.0643849500000000, 0.0000000000000000, 0.0322490000000000 ] - [ -0.0160728300000000, 0.0000000000000000, 0.0200747600000000 ] - [ 0.0162377200000000, 0.0000000000000000, -0.0203014500000000 ] - [ 0.0162208300000000, 0.0000000000000000, -0.0202415100000000 ] - [ -0.0115173300000000, 0.0000252500000000, 0.0167061400000000 ] - [ -0.0115173300000000, -0.0000252500000000, 0.0167061400000000 ] - [ 0.0114990100000000, 0.0002800300000000, -0.0167116600000000 ] - [ 0.0114990100000000, -0.0002800300000000, -0.0167116600000000 ] - [ -0.0377989900000000, 0.0000000000000000, 0.0130910300000000 ] - [ -0.0377589300000000, 0.0000000000000000, 0.0130761500000000 ] - [ 0.0378241300000000, 0.0000000000000000, -0.0131562900000000 ] - [ 0.0377343500000000, 0.0000000000000000, -0.0130673100000000 ] - [ -0.0199207400000000, 0.0000110400000000, 0.0119949300000000 ] - [ -0.0199207400000000, -0.0000110400000000, 0.0119949300000000 ] - [ 0.0199106700000000, -0.0000100100000000, -0.0120119300000000 ] - [ 0.0199106700000000, 0.0000100100000000, -0.0120119300000000 ] - [ -0.0163861200000000, 0.0000065600000000, 0.0202713000000000 ] - [ -0.0163861200000000, -0.0000065600000000, 0.0202713000000000 ] - [ 0.0162438400000000, 0.0000037500000000, -0.0202159800000000 ] - [ 0.0162438400000000, -0.0000037500000000, -0.0202159800000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0411533200000000, 0.0526081000000000, -0.0066493600000000 ] - [ 0.0412286400000000, 0.0525368700000000, -0.0066285000000000 ] - [ -0.0396459400000000, 0.0530912500000000, 0.0070320000000000 ] - [ -0.0410793800000000, 0.0525586900000000, 0.0066556400000000 ] - [ -0.0414261600000000, -0.0525627800000000, 0.0066332400000000 ] - [ -0.0428306100000000, -0.0520739500000000, 0.0062394400000000 ] - [ 0.0412731100000000, -0.0525881100000000, -0.0066645600000000 ] - [ 0.0413570900000000, -0.0525202600000000, -0.0066463900000000 ] - [ -0.0292378700000000, -0.0108672800000000, 0.0072309800000000 ] - [ -0.0293392900000000, -0.0107432300000000, 0.0070561400000000 ] - [ 0.0304506400000000, -0.0116077500000000, -0.0054128200000000 ] - [ 0.0293011700000000, -0.0108727000000000, -0.0071004000000000 ] - [ 0.0292009900000000, 0.0107684300000000, -0.0071517900000000 ] - [ 0.0280394500000000, 0.0100364800000000, -0.0088678100000000 ] - [ -0.0291591600000000, 0.0108991300000000, 0.0071953400000000 ] - [ -0.0292622000000000, 0.0107772800000000, 0.0070220600000000 ] - [ 0.0117463700000000, 0.0000076100000000, -0.0106944500000000 ] - [ 0.0116876100000000, 0.0000089700000000, -0.0107860700000000 ] - [ -0.0116884700000000, -0.0002473700000000, 0.0107334600000000 ] - [ -0.0117250100000000, -0.0002319900000000, 0.0107579800000000 ] - [ 0.0044172200000000, 0.0049292200000000, -0.0170171500000000 ] - [ 0.0044161200000000, -0.0000197800000000, -0.0170450100000000 ] - [ -0.0044166500000000, -0.0000533400000000, 0.0170422600000000 ] - [ -0.0044156600000000, 0.0000777800000000, 0.0170447400000000 ] - [ 0.0179026300000000, -0.0000347900000000, -0.0036126000000000 ] - [ 0.0179427600000000, -0.0000335100000000, -0.0034956000000000 ] - [ -0.0178339800000000, -0.0000128500000000, 0.0034998500000000 ] - [ -0.0180119500000000, -0.0000119400000000, 0.0036070200000000 ] - [ 0.0149226100000000, 0.0015123700000000, 0.0140546600000000 ] - [ 0.0129740600000000, 0.0014506300000000, 0.0162090800000000 ] - [ -0.0137379400000000, -0.0002210700000000, -0.0143871200000000 ] - [ -0.0141142400000000, -0.0002058400000000, -0.0159158400000000 ] - [ -0.0154268600000000, 0.0342233700000000, -0.0030786600000000 ] - [ -0.0153538200000000, 0.0341957800000000, -0.0031236900000000 ] - [ 0.0153647600000000, 0.0342370900000000, 0.0030755100000000 ] - [ 0.0153707000000000, 0.0342156200000000, 0.0032336600000000 ] - [ 0.0154294000000000, -0.0342685200000000, 0.0028932800000000 ] - [ 0.0154344200000000, -0.0342463400000000, 0.0030495700000000 ] - [ -0.0154436500000000, -0.0342880900000000, -0.0030011800000000 ] - [ -0.0153704800000000, -0.0342600400000000, -0.0030461200000000 ] - [ -0.0296245600000000, -0.0308028100000000, 0.0346665700000000 ] - [ -0.0285203700000000, -0.0321901900000000, 0.0358183100000000 ] - [ 0.0294504400000000, -0.0306032900000000, -0.0343840800000000 ] - [ 0.0165475700000000, 0.0003038300000000, -0.0240390600000000 ] - [ 0.0432123300000000, 0.0638018200000000, -0.0456449200000000 ] - [ 0.0294886100000000, 0.0314902400000000, -0.0344756800000000 ] - [ -0.0304184000000000, 0.0299582800000000, 0.0330586600000000 ] - [ -0.0293191700000000, 0.0313150500000000, 0.0342189500000000 ] - [ -0.0007064900000000, 0.0100340400000000, 0.0120126000000000 ] - [ -0.0006237700000000, 0.0100957100000000, 0.0121220400000000 ] - [ 0.0006248700000000, 0.0100937500000000, -0.0120596800000000 ] - [ 0.0002952500000000, 0.0109891300000000, -0.0120603800000000 ] - [ 0.0009612600000000, -0.0092169100000000, -0.0120544200000000 ] - [ 0.0006347600000000, -0.0101124600000000, -0.0120572300000000 ] - [ -0.0006322600000000, -0.0101080500000000, 0.0119928700000000 ] - [ -0.0005497600000000, -0.0101682700000000, 0.0121054900000000 ] - [ 0.0412299700000000, 0.0525769600000000, -0.0066883000000000 ] - [ 0.0411461100000000, 0.0525098900000000, -0.0066057600000000 ] - [ -0.0412267900000000, 0.0524449300000000, 0.0065949200000000 ] - [ -0.0402949300000000, 0.0515804000000000, 0.0083412900000000 ] - [ -0.0422035600000000, -0.0535205700000000, 0.0049535300000000 ] - [ -0.0412716900000000, -0.0526788900000000, 0.0066956400000000 ] - [ 0.0413530000000000, -0.0526148100000000, -0.0066871100000000 ] - [ 0.0412709200000000, -0.0525487300000000, -0.0066050300000000 ] - [ -0.0292362400000000, -0.0108229000000000, 0.0071573900000000 ] - [ -0.0292266700000000, -0.0108221600000000, 0.0071530100000000 ] - [ 0.0292598400000000, -0.0107685000000000, -0.0071362700000000 ] - [ 0.0291808400000000, -0.0110615900000000, -0.0071738000000000 ] - [ 0.0293169200000000, 0.0105768400000000, -0.0070754800000000 ] - [ 0.0292423600000000, 0.0108711800000000, -0.0071165800000000 ] - [ -0.0292711800000000, 0.0108205300000000, 0.0071003200000000 ] - [ -0.0292625800000000, 0.0108186800000000, 0.0070965400000000 ] - [ 0.0117163500000000, 0.0000550700000000, -0.0107382400000000 ] - [ 0.0117174100000000, 0.0000351100000000, -0.0107385900000000 ] - [ -0.0116939100000000, 0.0062435800000000, 0.0107480700000000 ] - [ -0.0117141100000000, 0.0000750300000000, 0.0107419000000000 ] - [ 0.0044483300000000, -0.0000491200000000, -0.0172147200000000 ] - [ 0.0043866700000000, -0.0000468900000000, -0.0168757200000000 ] - [ -0.0044297300000000, 0.0000366700000000, 0.0170212200000000 ] - [ -0.0044010200000000, 0.0000380400000000, 0.0170674400000000 ] - [ 0.0179240000000000, -0.0000092600000000, -0.0035528600000000 ] - [ 0.0179244800000000, -0.0000170700000000, -0.0035525900000000 ] - [ -0.0179246300000000, -0.0000237900000000, 0.0035531900000000 ] - [ -0.0179231100000000, 0.0000307900000000, 0.0035528800000000 ] - [ 0.0139224500000000, -0.0000419200000000, 0.0151497300000000 ] - [ 0.0139221100000000, 0.0000502400000000, 0.0151497500000000 ] - [ -0.0139211600000000, -0.0002139000000000, -0.0151462700000000 ] - [ -0.0139224300000000, -0.0000459400000000, -0.0151499300000000 ] - [ -0.0154229300000000, 0.0342537100000000, -0.0030696500000000 ] - [ -0.0153905100000000, 0.0342337600000000, -0.0030396900000000 ] - [ 0.0153873800000000, 0.0341437100000000, 0.0031054200000000 ] - [ 0.0154053700000000, 0.0342852600000000, 0.0030769600000000 ] - [ 0.0153926500000000, -0.0341974800000000, 0.0030478300000000 ] - [ 0.0154134300000000, -0.0343340600000000, 0.0030221300000000 ] - [ -0.0154042100000000, -0.0342500300000000, -0.0030833300000000 ] - [ -0.0153734800000000, -0.0342319100000000, -0.0030526600000000 ] - [ -0.0295910900000000, -0.0310082300000000, 0.0346256000000000 ] - [ -0.0294883400000000, -0.0310512500000000, 0.0343715600000000 ] - [ 0.0294122200000000, -0.0305194600000000, -0.0342291100000000 ] - [ 0.0294966600000000, -0.0311503100000000, -0.0344629800000000 ] - [ 0.0294533500000000, 0.0309686200000000, -0.0344091700000000 ] - [ 0.0295378000000000, 0.0316050600000000, -0.0346409200000000 ] - [ -0.0294575600000000, 0.0310677600000000, 0.0345035800000000 ] - [ -0.0293551700000000, 0.0311084600000000, 0.0342456100000000 ] - [ -0.0006008400000000, 0.0101269700000000, 0.0120721400000000 ] - [ -0.0006063300000000, 0.0100074900000000, 0.0120647700000000 ] - [ 0.0007866400000000, 0.0100162400000000, -0.0122193500000000 ] - [ 0.0006350300000000, 0.0102216200000000, -0.0120482100000000 ] - [ 0.0006298700000000, -0.0099799000000000, -0.0120734200000000 ] - [ 0.0004730500000000, -0.0101879400000000, -0.0119033400000000 ] - [ -0.0006506400000000, -0.0101992900000000, 0.0120505500000000 ] - [ -0.0006562500000000, -0.0100758700000000, 0.0120467200000000 ] - [ -0.0115352100000000, -0.0005887600000000, 0.0166922300000000 ] - [ -0.0115371300000000, -0.0000175400000000, 0.0166936200000000 ] - [ 0.0115387900000000, -0.0001768000000000, -0.0166924700000000 ] - [ 0.0115388000000000, -0.0000349000000000, -0.0166926700000000 ] - [ -0.0376551200000000, 0.0001490100000000, 0.0130564700000000 ] - [ -0.0378564100000000, 0.0001420300000000, 0.0130725800000000 ] - [ 0.0377090100000000, -0.0000022500000000, -0.0130984300000000 ] - [ 0.0378022400000000, -0.0000056600000000, -0.0130281400000000 ] - [ -0.0199145600000000, 0.0000199600000000, 0.0120123000000000 ] - [ -0.0199151000000000, -0.0000125300000000, 0.0120123600000000 ] - [ 0.0199158100000000, 0.0000865900000000, -0.0120113800000000 ] - [ 0.0199151300000000, -0.0000022700000000, -0.0120120100000000 ] - [ -0.0172051900000000, -0.0759805800000000, 0.0210184100000000 ] - [ -0.0162101600000000, 0.0001378600000000, 0.0201966100000000 ] - [ 0.0162132400000000, 0.0000305700000000, -0.0202019900000000 ] - [ 0.0162118700000000, -0.0001632700000000, -0.0202030400000000 ] - [ -0.0114788300000000, 0.0000218500000000, 0.0166413400000000 ] - [ -0.0115952500000000, 0.0000227500000000, 0.0167482600000000 ] - [ 0.0113187600000000, 0.0003894600000000, -0.0166811400000000 ] - [ 0.0117550300000000, 0.0003818100000000, -0.0167067600000000 ] - [ -0.0377528800000000, -0.0000229800000000, 0.0130615300000000 ] - [ -0.0377554500000000, 0.0000042200000000, 0.0130624800000000 ] - [ 0.0377545600000000, 0.0000623700000000, -0.0130625300000000 ] - [ 0.0377548200000000, 0.0000206800000000, -0.0130628000000000 ] - [ -0.0199126400000000, 0.0000016800000000, 0.0120255500000000 ] - [ -0.0199167000000000, 0.0000012800000000, 0.0119990500000000 ] - [ 0.0199261300000000, 0.0000062700000000, -0.0119945600000000 ] - [ 0.0199053500000000, 0.0000066200000000, -0.0120280600000000 ] - [ -0.0162069200000000, 0.0000768300000000, 0.0201531700000000 ] - [ -0.0162164000000000, 0.0000745000000000, 0.0202553200000000 ] - [ 0.0162092300000000, -0.0000011900000000, -0.0202090700000000 ] - [ 0.0162170100000000, -0.0000014600000000, -0.0201976000000000 ]- atom: 125 displacement: [ -0.0029978240866587, 0.0000000000000000, 0.0095400760345738 ] forces: - [ 0.0416136700000000, 0.0527062700000000, -0.0063956900000000 ] - [ 0.0413415700000000, 0.0525716000000000, -0.0066735400000000 ] - [ -0.0424183300000000, 0.0522218400000000, 0.0064814400000000 ] - [ -0.0414105500000000, 0.0524928600000000, 0.0063930700000000 ] - [ -0.0414105500000000, -0.0524928600000000, 0.0063930700000000 ] - [ -0.0424183300000000, -0.0522218400000000, 0.0064814400000000 ] - [ 0.0413415700000000, -0.0525716000000000, -0.0066735400000000 ] - [ 0.0416136700000000, -0.0527062700000000, -0.0063956900000000 ] - [ -0.0293574900000000, -0.0108908500000000, 0.0070312000000000 ] - [ -0.0292472400000000, -0.0108451600000000, 0.0071761600000000 ] - [ 0.0310576800000000, -0.0087559700000000, -0.0077401500000000 ] - [ 0.0291909200000000, -0.0108354900000000, -0.0071504000000000 ] - [ 0.0291909200000000, 0.0108354900000000, -0.0071504000000000 ] - [ 0.0310576800000000, 0.0087559700000000, -0.0077401500000000 ] - [ -0.0292472400000000, 0.0108451600000000, 0.0071761600000000 ] - [ -0.0293574900000000, 0.0108908500000000, 0.0070312000000000 ] - [ 0.0116037600000000, -0.0000414800000000, -0.0106972300000000 ] - [ 0.0116037600000000, 0.0000414800000000, -0.0106972300000000 ] - [ -0.0116442400000000, -0.0000812400000000, 0.0108808800000000 ] - [ -0.0116442400000000, 0.0000812400000000, 0.0108808800000000 ] - [ 0.0118616300000000, 0.0000000000000000, 0.0033885500000000 ] - [ 0.0043539400000000, 0.0000000000000000, -0.0170383200000000 ] - [ -0.0044166900000000, 0.0000000000000000, 0.0169720600000000 ] - [ -0.0043749800000000, 0.0000000000000000, 0.0169963800000000 ] - [ 0.0179007100000000, 0.0000105700000000, -0.0035460700000000 ] - [ 0.0179007100000000, -0.0000105700000000, -0.0035460700000000 ] - [ -0.0179214700000000, -0.0000303200000000, 0.0035649700000000 ] - [ -0.0179214700000000, 0.0000303200000000, 0.0035649700000000 ] - [ 0.0149735300000000, 0.0005064300000000, 0.0141973900000000 ] - [ 0.0149735300000000, -0.0005064300000000, 0.0141973900000000 ] - [ -0.0137549600000000, 0.0000584600000000, -0.0157188600000000 ] - [ -0.0137549600000000, -0.0000584600000000, -0.0157188600000000 ] - [ -0.0154080600000000, 0.0342562200000000, -0.0030450200000000 ] - [ -0.0154895800000000, 0.0343001300000000, -0.0030290400000000 ] - [ 0.0154076600000000, 0.0342460800000000, 0.0030389800000000 ] - [ 0.0154292200000000, 0.0341410900000000, 0.0031646000000000 ] - [ 0.0154292200000000, -0.0341410900000000, 0.0031646000000000 ] - [ 0.0154076600000000, -0.0342460800000000, 0.0030389800000000 ] - [ -0.0154895800000000, -0.0343001300000000, -0.0030290400000000 ] - [ -0.0154080600000000, -0.0342562200000000, -0.0030450200000000 ] - [ -0.0293413500000000, -0.0310077900000000, 0.0345319700000000 ] - [ -0.0296398500000000, -0.0307887700000000, 0.0353993200000000 ] - [ 0.0288973200000000, -0.0306215300000000, -0.0336971900000000 ] - [ 0.0184700800000000, -0.0138570400000000, -0.0239475500000000 ] - [ 0.0184700800000000, 0.0138570400000000, -0.0239475500000000 ] - [ 0.0288973200000000, 0.0306215300000000, -0.0336971900000000 ] - [ -0.0296398500000000, 0.0307887700000000, 0.0353993200000000 ] - [ -0.0293413500000000, 0.0310077900000000, 0.0345319700000000 ] - [ -0.0006514900000000, 0.0101729900000000, 0.0120379300000000 ] - [ -0.0005918400000000, 0.0100193800000000, 0.0119800100000000 ] - [ 0.0006443400000000, 0.0100977800000000, -0.0120465500000000 ] - [ -0.0001659900000000, 0.0097573300000000, -0.0120636500000000 ] - [ -0.0001659900000000, -0.0097573300000000, -0.0120636500000000 ] - [ 0.0006443400000000, -0.0100977800000000, -0.0120465500000000 ] - [ -0.0005918400000000, -0.0100193800000000, 0.0119800100000000 ] - [ -0.0006514900000000, -0.0101729900000000, 0.0120379300000000 ] - [ 0.0412547500000000, 0.0525726500000000, -0.0066011900000000 ] - [ 0.0412784700000000, 0.0525612000000000, -0.0066720200000000 ] - [ -0.0412581700000000, 0.0525021500000000, 0.0066281200000000 ] - [ -0.0423692800000000, 0.0520269100000000, 0.0068198300000000 ] - [ -0.0423692800000000, -0.0520269100000000, 0.0068198300000000 ] - [ -0.0412581700000000, -0.0525021500000000, 0.0066281200000000 ] - [ 0.0412784700000000, -0.0525612000000000, -0.0066720200000000 ] - [ 0.0412547500000000, -0.0525726500000000, -0.0066011900000000 ] - [ -0.0292771700000000, -0.0107953000000000, 0.0071186700000000 ] - [ -0.0292670900000000, -0.0108786400000000, 0.0071602100000000 ] - [ 0.0292456700000000, -0.0107979000000000, -0.0071272300000000 ] - [ 0.0293531300000000, -0.0106834500000000, -0.0072547400000000 ] - [ 0.0293531300000000, 0.0106834500000000, -0.0072547400000000 ] - [ 0.0292456700000000, 0.0107979000000000, -0.0071272300000000 ] - [ -0.0292670900000000, 0.0108786400000000, 0.0071602100000000 ] - [ -0.0292771700000000, 0.0107953000000000, 0.0071186700000000 ] - [ 0.0116121400000000, 0.0000000000000000, -0.0106943400000000 ] - [ 0.0116509200000000, 0.0000000000000000, -0.0107285500000000 ] - [ -0.0093307700000000, 0.0000000000000000, 0.0133397700000000 ] - [ -0.0116136900000000, 0.0000000000000000, 0.0107749200000000 ] - [ 0.0045296300000000, -0.0000193400000000, -0.0171227200000000 ] - [ 0.0045296300000000, 0.0000193400000000, -0.0171227200000000 ] - [ -0.0043952400000000, -0.0000161200000000, 0.0170531100000000 ] - [ -0.0043952400000000, 0.0000161200000000, 0.0170531100000000 ] - [ 0.0178908600000000, 0.0000000000000000, -0.0036508900000000 ] - [ 0.0178995400000000, 0.0000000000000000, -0.0035252300000000 ] - [ -0.0180070600000000, 0.0000000000000000, 0.0034417600000000 ] - [ -0.0178845100000000, 0.0000000000000000, 0.0035334000000000 ] - [ 0.0139848500000000, 0.0000000000000000, 0.0151525400000000 ] - [ 0.0138673300000000, 0.0000000000000000, 0.0151367500000000 ] - [ -0.0137532900000000, 0.0000000000000000, -0.0146972500000000 ] - [ -0.0138996000000000, 0.0000000000000000, -0.0151334600000000 ] - [ -0.0154184300000000, 0.0342272700000000, -0.0030112400000000 ] - [ -0.0154511700000000, 0.0341732300000000, -0.0030605400000000 ] - [ 0.0154171100000000, 0.0341152000000000, 0.0031573300000000 ] - [ 0.0153831200000000, 0.0341488600000000, 0.0030916300000000 ] - [ 0.0153831200000000, -0.0341488600000000, 0.0030916300000000 ] - [ 0.0154171100000000, -0.0341152000000000, 0.0031573300000000 ] - [ -0.0154511700000000, -0.0341732300000000, -0.0030605400000000 ] - [ -0.0154184300000000, -0.0342272700000000, -0.0030112400000000 ] - [ -0.0295131900000000, -0.0309756400000000, 0.0344663200000000 ] - [ -0.0295036100000000, -0.0310427100000000, 0.0344391800000000 ] - [ 0.0294986000000000, -0.0309176100000000, -0.0343911700000000 ] - [ 0.0294746400000000, -0.0310082600000000, -0.0344234600000000 ] - [ 0.0294746400000000, 0.0310082600000000, -0.0344234600000000 ] - [ 0.0294986000000000, 0.0309176100000000, -0.0343911700000000 ] - [ -0.0295036100000000, 0.0310427100000000, 0.0344391800000000 ] - [ -0.0295131900000000, 0.0309756400000000, 0.0344663200000000 ] - [ -0.0006336200000000, 0.0101468000000000, 0.0120703500000000 ] - [ -0.0006202100000000, 0.0101580100000000, 0.0121411300000000 ] - [ 0.0007830600000000, 0.0101279600000000, -0.0123097800000000 ] - [ 0.0006316400000000, 0.0100216200000000, -0.0120222300000000 ] - [ 0.0006316400000000, -0.0100216200000000, -0.0120222300000000 ] - [ 0.0007830600000000, -0.0101279600000000, -0.0123097800000000 ] - [ -0.0006202100000000, -0.0101580100000000, 0.0121411300000000 ] - [ -0.0006336200000000, -0.0101468000000000, 0.0120703500000000 ] - [ -0.0107427800000000, 0.0000000000000000, 0.0172169000000000 ] - [ -0.0115685300000000, 0.0000000000000000, 0.0166972900000000 ] - [ 0.0115168900000000, 0.0000000000000000, -0.0167578400000000 ] - [ 0.0116585800000000, 0.0000000000000000, -0.0166986600000000 ] - [ -0.0377924300000000, 0.0000910300000000, 0.0131765200000000 ] - [ -0.0377924300000000, -0.0000910300000000, 0.0131765200000000 ] - [ 0.0378021700000000, -0.0000295300000000, -0.0130143900000000 ] - [ 0.0378021700000000, 0.0000295300000000, -0.0130143900000000 ] - [ -0.0199304500000000, 0.0000000000000000, 0.0119612600000000 ] - [ -0.0199129500000000, 0.0000000000000000, 0.0120398400000000 ] - [ 0.0196196500000000, 0.0000000000000000, -0.0126660800000000 ] - [ 0.0199344700000000, 0.0000000000000000, -0.0120432000000000 ] - [ -0.0039451500000000, 0.0000000000000000, -0.0235451200000000 ] - [ -0.0160447400000000, 0.0000000000000000, 0.0200492000000000 ] - [ 0.0163135900000000, 0.0000000000000000, -0.0200744000000000 ] - [ 0.0162510500000000, 0.0000000000000000, -0.0202434300000000 ] - [ -0.0115399400000000, 0.0000255900000000, 0.0166770800000000 ] - [ -0.0115399400000000, -0.0000255900000000, 0.0166770800000000 ] - [ 0.0115405100000000, 0.0000048100000000, -0.0167551000000000 ] - [ 0.0115405100000000, -0.0000048100000000, -0.0167551000000000 ] - [ -0.0378269800000000, 0.0000000000000000, 0.0131008300000000 ] - [ -0.0377914200000000, 0.0000000000000000, 0.0130803300000000 ] - [ 0.0377738000000000, 0.0000000000000000, -0.0131131100000000 ] - [ 0.0377565400000000, 0.0000000000000000, -0.0130723900000000 ] - [ -0.0199066500000000, -0.0000168700000000, 0.0120064600000000 ] - [ -0.0199066500000000, 0.0000168700000000, 0.0120064600000000 ] - [ 0.0199079300000000, 0.0000124800000000, -0.0119968300000000 ] - [ 0.0199079300000000, -0.0000124800000000, -0.0119968300000000 ] - [ -0.0163279100000000, 0.0000500800000000, 0.0202407500000000 ] - [ -0.0163279100000000, -0.0000500800000000, 0.0202407500000000 ] - [ 0.0162345900000000, -0.0000039200000000, -0.0202107800000000 ] - [ 0.0162345900000000, 0.0000039200000000, -0.0202107800000000 ]- atom: 125 displacement: [ 0.0029978240866587, 0.0000000000000000, -0.0095400760345738 ] forces: - [ 0.0408921200000000, 0.0524269000000000, -0.0069103700000000 ] - [ 0.0411574900000000, 0.0525512000000000, -0.0066207600000000 ] - [ -0.0400801800000000, 0.0529059700000000, 0.0068153700000000 ] - [ -0.0410855700000000, 0.0526305600000000, 0.0069045800000000 ] - [ -0.0410855700000000, -0.0526305600000000, 0.0069045800000000 ] - [ -0.0400801800000000, -0.0529059700000000, 0.0068153700000000 ] - [ 0.0411574900000000, -0.0525512000000000, -0.0066207600000000 ] - [ 0.0408921200000000, -0.0524269000000000, -0.0069103700000000 ] - [ -0.0291432100000000, -0.0107493800000000, 0.0072236900000000 ] - [ -0.0292541700000000, -0.0107941800000000, 0.0070767200000000 ] - [ 0.0274356300000000, -0.0128949000000000, -0.0065130200000000 ] - [ 0.0293067700000000, -0.0108058100000000, -0.0071011900000000 ] - [ 0.0293067700000000, 0.0108058100000000, -0.0071011900000000 ] - [ 0.0274356300000000, 0.0128949000000000, -0.0065130200000000 ] - [ -0.0292541700000000, 0.0107941800000000, 0.0070767200000000 ] - [ -0.0291432100000000, 0.0107493800000000, 0.0072236900000000 ] - [ 0.0118291900000000, 0.0000407400000000, -0.0107849200000000 ] - [ 0.0118291900000000, -0.0000407400000000, -0.0107849200000000 ] - [ -0.0117927800000000, 0.0000831700000000, 0.0105950700000000 ] - [ -0.0117927800000000, -0.0000831700000000, 0.0105950700000000 ] - [ -0.0025295600000000, 0.0000000000000000, -0.0366058000000000 ] - [ 0.0044791900000000, 0.0000000000000000, -0.0170491100000000 ] - [ -0.0044160600000000, 0.0000000000000000, 0.0171223600000000 ] - [ -0.0044578700000000, 0.0000000000000000, 0.0170952500000000 ] - [ 0.0179438400000000, -0.0000116600000000, -0.0035617800000000 ] - [ 0.0179438400000000, 0.0000116600000000, -0.0035617800000000 ] - [ -0.0179279400000000, 0.0000291000000000, 0.0035404400000000 ] - [ -0.0179279400000000, -0.0000291000000000, 0.0035404400000000 ] - [ 0.0128644400000000, -0.0005106900000000, 0.0161219900000000 ] - [ 0.0128644400000000, 0.0005106900000000, 0.0161219900000000 ] - [ -0.0140994100000000, -0.0000584200000000, -0.0146004900000000 ] - [ -0.0140994100000000, 0.0000584200000000, -0.0146004900000000 ] - [ -0.0153904900000000, 0.0342248500000000, -0.0030815200000000 ] - [ -0.0153101400000000, 0.0341818900000000, -0.0030984200000000 ] - [ 0.0153884600000000, 0.0342348200000000, 0.0030874700000000 ] - [ 0.0153655200000000, 0.0343447700000000, 0.0029642800000000 ] - [ 0.0153655200000000, -0.0343447700000000, 0.0029642800000000 ] - [ 0.0153884600000000, -0.0342348200000000, 0.0030874700000000 ] - [ -0.0153101400000000, -0.0341818900000000, -0.0030984200000000 ] - [ -0.0153904900000000, -0.0342248500000000, -0.0030815200000000 ] - [ -0.0296031200000000, -0.0311169600000000, 0.0343376900000000 ] - [ -0.0292644700000000, -0.0313859500000000, 0.0334716700000000 ] - [ 0.0300499500000000, -0.0315030600000000, -0.0351808900000000 ] - [ 0.0407709900000000, -0.0488574100000000, -0.0451842400000000 ] - [ 0.0407709900000000, 0.0488574100000000, -0.0451842400000000 ] - [ 0.0300499500000000, 0.0315030600000000, -0.0351808900000000 ] - [ -0.0292644700000000, 0.0313859500000000, 0.0334716700000000 ] - [ -0.0296031200000000, 0.0311169600000000, 0.0343376900000000 ] - [ -0.0006064400000000, 0.0100325900000000, 0.0120786700000000 ] - [ -0.0006667800000000, 0.0101857400000000, 0.0121331700000000 ] - [ 0.0006124600000000, 0.0101075500000000, -0.0120706800000000 ] - [ 0.0014285800000000, 0.0104566600000000, -0.0120539800000000 ] - [ 0.0014285800000000, -0.0104566600000000, -0.0120539800000000 ] - [ 0.0006124600000000, -0.0101075500000000, -0.0120706800000000 ] - [ -0.0006667800000000, -0.0101857400000000, 0.0121331700000000 ] - [ -0.0006064400000000, -0.0100325900000000, 0.0120786700000000 ] - [ 0.0412429200000000, 0.0525500500000000, -0.0066933600000000 ] - [ 0.0412181400000000, 0.0525627200000000, -0.0066215100000000 ] - [ -0.0412425700000000, 0.0526230800000000, 0.0066690700000000 ] - [ -0.0401177300000000, 0.0530796100000000, 0.0064699800000000 ] - [ -0.0401177300000000, -0.0530796100000000, 0.0064699800000000 ] - [ -0.0412425700000000, -0.0526230800000000, 0.0066690700000000 ] - [ 0.0412181400000000, -0.0525627200000000, -0.0066215100000000 ] - [ 0.0412429200000000, -0.0525500500000000, -0.0066933600000000 ] - [ -0.0292224600000000, -0.0108454100000000, 0.0071335000000000 ] - [ -0.0292318100000000, -0.0107630600000000, 0.0070927000000000 ] - [ 0.0292535500000000, -0.0108404500000000, -0.0071260700000000 ] - [ 0.0291436800000000, -0.0109494400000000, -0.0069905100000000 ] - [ 0.0291436800000000, 0.0109494400000000, -0.0069905100000000 ] - [ 0.0292535500000000, 0.0108404500000000, -0.0071260700000000 ] - [ -0.0292318100000000, 0.0107630600000000, 0.0070927000000000 ] - [ -0.0292224600000000, 0.0108454100000000, 0.0071335000000000 ] - [ 0.0118203700000000, 0.0000000000000000, -0.0107865200000000 ] - [ 0.0117839700000000, 0.0000000000000000, -0.0107496300000000 ] - [ -0.0140308400000000, 0.0000000000000000, 0.0082227500000000 ] - [ -0.0118195000000000, 0.0000000000000000, 0.0107052000000000 ] - [ 0.0043050700000000, 0.0000169600000000, -0.0169694600000000 ] - [ 0.0043050700000000, -0.0000169600000000, -0.0169694600000000 ] - [ -0.0044387400000000, 0.0000164900000000, 0.0170352800000000 ] - [ -0.0044387400000000, -0.0000164900000000, 0.0170352800000000 ] - [ 0.0179637500000000, 0.0000000000000000, -0.0034454400000000 ] - [ 0.0179455800000000, 0.0000000000000000, -0.0035818800000000 ] - [ -0.0178407300000000, 0.0000000000000000, 0.0036671600000000 ] - [ -0.0179625300000000, 0.0000000000000000, 0.0035734500000000 ] - [ 0.0138566400000000, 0.0000000000000000, 0.0151508200000000 ] - [ 0.0139748600000000, 0.0000000000000000, 0.0151642100000000 ] - [ -0.0140894000000000, 0.0000000000000000, -0.0155902700000000 ] - [ -0.0139462600000000, 0.0000000000000000, -0.0151658900000000 ] - [ -0.0153738300000000, 0.0342460300000000, -0.0031210300000000 ] - [ -0.0153442900000000, 0.0343069900000000, -0.0030654200000000 ] - [ 0.0153821600000000, 0.0343639500000000, 0.0029716800000000 ] - [ 0.0154146100000000, 0.0343313900000000, 0.0030344800000000 ] - [ 0.0154146100000000, -0.0343313900000000, 0.0030344800000000 ] - [ 0.0153821600000000, -0.0343639500000000, 0.0029716800000000 ] - [ -0.0153442900000000, -0.0343069900000000, -0.0030654200000000 ] - [ -0.0153738300000000, -0.0342460300000000, -0.0031210300000000 ] - [ -0.0294354600000000, -0.0311401400000000, 0.0344060000000000 ] - [ -0.0294456600000000, -0.0310766500000000, 0.0344340500000000 ] - [ 0.0294475800000000, -0.0312067100000000, -0.0344875000000000 ] - [ 0.0294708000000000, -0.0311106500000000, -0.0344507000000000 ] - [ 0.0294708000000000, 0.0311106500000000, -0.0344507000000000 ] - [ 0.0294475800000000, 0.0312067100000000, -0.0344875000000000 ] - [ -0.0294456600000000, 0.0310766500000000, 0.0344340500000000 ] - [ -0.0294354600000000, 0.0311401400000000, 0.0344060000000000 ] - [ -0.0006280400000000, 0.0100610700000000, 0.0120511500000000 ] - [ -0.0006387200000000, 0.0100470000000000, 0.0119756100000000 ] - [ 0.0004765500000000, 0.0100757300000000, -0.0118133100000000 ] - [ 0.0006256000000000, 0.0101799800000000, -0.0120938900000000 ] - [ 0.0006256000000000, -0.0101799800000000, -0.0120938900000000 ] - [ 0.0004765500000000, -0.0100757300000000, -0.0118133100000000 ] - [ -0.0006387200000000, -0.0100470000000000, 0.0119756100000000 ] - [ -0.0006280400000000, -0.0100610700000000, 0.0120511500000000 ] - [ -0.0123181300000000, 0.0000000000000000, 0.0161665200000000 ] - [ -0.0115062400000000, 0.0000000000000000, 0.0166897900000000 ] - [ 0.0115591200000000, 0.0000000000000000, -0.0166266300000000 ] - [ 0.0114139400000000, 0.0000000000000000, -0.0166869300000000 ] - [ -0.0377189800000000, -0.0000885300000000, 0.0129498500000000 ] - [ -0.0377189800000000, 0.0000885300000000, 0.0129498500000000 ] - [ 0.0377066000000000, 0.0000342400000000, -0.0131119200000000 ] - [ 0.0377066000000000, -0.0000342400000000, -0.0131119200000000 ] - [ -0.0199001000000000, 0.0000000000000000, 0.0120604000000000 ] - [ -0.0199173800000000, 0.0000000000000000, 0.0119816400000000 ] - [ 0.0202276300000000, 0.0000000000000000, -0.0113607900000000 ] - [ 0.0198931300000000, 0.0000000000000000, -0.0119776200000000 ] - [ -0.0296951100000000, 0.0000000000000000, 0.0635538800000000 ] - [ -0.0163813300000000, 0.0000000000000000, 0.0203587600000000 ] - [ 0.0161097300000000, 0.0000000000000000, -0.0203415400000000 ] - [ 0.0161715500000000, 0.0000000000000000, -0.0201625200000000 ] - [ -0.0115350500000000, -0.0000234000000000, 0.0167087100000000 ] - [ -0.0115350500000000, 0.0000234000000000, 0.0167087100000000 ] - [ 0.0115347600000000, -0.0000096300000000, -0.0166289500000000 ] - [ 0.0115347600000000, 0.0000096300000000, -0.0166289500000000 ] - [ -0.0376777400000000, 0.0000000000000000, 0.0130207600000000 ] - [ -0.0377190900000000, 0.0000000000000000, 0.0130447500000000 ] - [ 0.0377362600000000, 0.0000000000000000, -0.0130128300000000 ] - [ 0.0377504500000000, 0.0000000000000000, -0.0130525300000000 ] - [ -0.0199230900000000, 0.0000167100000000, 0.0120152800000000 ] - [ -0.0199230900000000, -0.0000167100000000, 0.0120152800000000 ] - [ 0.0199214500000000, -0.0000127100000000, -0.0120239000000000 ] - [ 0.0199214500000000, 0.0000127100000000, -0.0120239000000000 ] - [ -0.0160959300000000, -0.0000508600000000, 0.0201666700000000 ] - [ -0.0160959300000000, 0.0000508600000000, 0.0201666700000000 ] - [ 0.0161889600000000, 0.0000044900000000, -0.0201959300000000 ] - [ 0.0161889600000000, -0.0000044900000000, -0.0201959300000000 ]